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W5E

W5E
Name:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:	C22 H15 N O6
SMILES:	Oc1cccc(c1)c2ccc3n(cc(C(=O)C(O)=O)c3c2)c4ccc(O)c(O)c4
InChi:	InChI=1S/C22H15NO6/c24-15-3-1-2-12(8-15)13-4-6-18-16(9-13)17(21(27)22(28)29)11-23(18)14-5-7-19(25)20(26)10-14/h1-11,24-26H,(H,28,29)
Definition date:	2023-04-28
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid

WCW

WCW
Name:	4-azanyl-1-phenyl-piperidine-4-carboxylic acid
Formula:	C12 H16 N2 O2
SMILES:	NC1(CCN(CC1)c2ccccc2)C(O)=O
InChi:	InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-azanyl-1-phenyl-piperidine-4-carboxylic acid

WD2

WD2
Name:	1-[4-(trifluoromethyl)pyridin-2-yl]piperazine
Formula:	C10 H12 F3 N3
SMILES:	FC(F)(F)c1ccnc(c1)N2CCNCC2
InChi:	InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	1-[4-(trifluoromethyl)pyridin-2-yl]piperazine

WD5

WD5
Name:	4-(4-chlorophenyl)piperidin-4-ol
Formula:	C11 H14 Cl N O
SMILES:	OC1(CCNCC1)c2ccc(Cl)cc2
InChi:	InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(4-chlorophenyl)piperidin-4-ol

4Q8

4Q8
Name:	5-methyl-1-(phenylmethyl)imidazole
Formula:	C11 H12 N2
SMILES:	Cc1cncn1Cc2ccccc2
InChi:	InChI=1S/C11H12N2/c1-10-7-12-9-13(10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
Definition date:	2023-01-09
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-methyl-1-(phenylmethyl)imidazole

HWF

HWF
Name:	(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
Formula:	C13 H17 N O2
SMILES:	O=C(O)C(Cc1ccccc1)C1CCNC1
InChi:	InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1
Synonyms:	LY3353871
Definition date:	2023-07-22
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid

IJM

IJM
Name:	(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
Formula:	C14 H8 F3 N5 O4
SMILES:	O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1
InChi:	InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22)
Definition date:	2023-08-01
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid

JEI

JEI
Name:	(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid
Formula:	C15 H24 N6 O9 P2
SMILES:	O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10+/m1/s1
Definition date:	2023-08-07
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid

JG6

JG6
Name:	{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
Formula:	C13 H19 N6 O6 P
SMILES:	O=C(CCP(=O)(O)O)N1CC(CC1CO)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C13H19N6O6P/c14-13-16-11-10(12(22)17-13)15-6-19(11)7-3-8(5-20)18(4-7)9(21)1-2-26(23,24)25/h6-8,20H,1-5H2,(H2,23,24,25)(H3,14,16,17,22)/t7-,8+/m1/s1
Definition date:	2023-08-07
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid

KFF

KFF
Name:	(3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid
Formula:	C15 H24 N6 O9 P2
SMILES:	O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10-/m0/s1
Definition date:	2023-08-11
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid

LVC

LVC
Name:	4-(2-oxopropyl)benzoic acid
Formula:	C10 H10 O3
SMILES:	O=C(C)Cc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
Definition date:	2022-03-04
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(2-oxopropyl)benzoic acid

LVK

LVK
Name:	4-propanoylbenzoic acid
Formula:	C10 H10 O3
SMILES:	OC(=O)c1ccc(cc1)C(=O)CC
InChi:	InChI=1S/C10H10O3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3,(H,12,13)
Definition date:	2022-03-04
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-propanoylbenzoic acid

YOP

YOP
Name:	3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(5H)-one
Formula:	C8 H12 N2 O2
SMILES:	O=C1NC=CC=C1CC(N)CO
InChi:	InChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1
Definition date:	2021-03-17
Last modified:	2024-04-30
Release date:	2021-08-25
Identifier:	3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(1H)-one

9R4

9R4
Name:	D-gamma-glutamyl-2-methyl-L-alanine
Formula:	C9 H16 N2 O5
SMILES:	NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O
InChi:	InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1
Definition date:	2017-06-01
Last modified:	2024-04-30
Release date:	2017-11-15
Identifier:	D-gamma-glutamyl-2-methyl-L-alanine

R5P

R5P
Name:	RIBOSE-5-PHOSPHATE
Formula:	C5 H11 O8 P
SMILES:	O=P(OCC(O)C(O)C(O)C=O)(O)O
InChi:	InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
Definition date:	2001-06-19
Last modified:	2024-04-30
Identifier:	5-O-phosphono-D-ribose

LYT

LYT
Name:	BUTYLAMINE
Formula:	C4 H11 N
SMILES:	NCCCC
InChi:	InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
Definition date:	1999-07-08
Last modified:	2024-04-30
Identifier:	butan-1-amine

1CC

1CC
Name:	5-carboxy-2'-deoxycytidine monophosphate
Formula:	C10 H14 N3 O9 P
SMILES:	O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:	InChI=1S/C10H14N3O9P/c11-8-4(9(15)16)2-13(10(17)12-8)7-1-5(14)6(22-7)3-21-23(18,19)20/h2,5-7,14H,1,3H2,(H,15,16)(H2,11,12,17)(H2,18,19,20)/t5-,6+,7+/m0/s1
Definition date:	2011-11-17
Last modified:	2024-04-29
Identifier:	5-carboxy-2'-deoxycytidine 5'-(dihydrogen phosphate)

SD0

SD0
Name:	(S)-5-amino-2-(4-(2-amino-2-carboxyethyl)phenyl)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborinan-2-uide
Formula:	C13 H20 B N2 O6
SMILES:	N[CH](Cc1ccc(cc1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O
InChi:	InChI=1S/C13H20BN2O6/c15-11(12(18)19)5-9-1-3-10(4-2-9)14(20)21-7-13(16,6-17)8-22-14/h1-4,11,17,20H,5-8,15-16H2,(H,18,19)/q-1/t11-,13-,14+/m0/s1
Synonyms:	(2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-$l^{3}-oxidanyl-1,3,2$l^{4}-dioxaborinan-2-yl]phenyl]propanal
Definition date:	2023-08-30
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-oxidanyl-1,3-dioxa-2-boranuidacyclohex-2-yl]phenyl]propanoic acid

WOQ

WOQ
Name:	Setiptiline
Formula:	C19 H19 N
SMILES:	CN1CC2=C(CC1)c1ccccc1Cc1ccccc21
InChi:	InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3
Synonyms:	[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine
Definition date:	2023-10-09
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine

WRU

WRU
Name:	Mianserin
Formula:	C18 H20 N2
SMILES:	CN1CC2N(CC1)c1ccccc1Cc1ccccc21
InChi:	InChI=1S/C18H20N2/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/t18-/m1/s1
Definition date:	2023-10-10
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(5S,14bS)-2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine

WUX

WUX
Name:	2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid
Formula:	C33 H54 O6
SMILES:	C[CH]1[CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2[CH](O)C[CH]4[CH]([CH](C[C]34C)OC(C)=O)[CH](CCCC5CCCC5)C(O)=O
InChi:	InChI=1S/C33H54O6/c1-19-23-13-16-32(4)29(31(23,3)15-14-25(19)35)26(36)17-24-28(27(39-20(2)34)18-33(24,32)5)22(30(37)38)12-8-11-21-9-6-7-10-21/h19,21-29,35-36H,6-18H2,1-5H3,(H,37,38)/t19-,22-,23-,24-,25+,26+,27-,28-,29-,31-,32-,33-/m0/s1
Definition date:	2023-05-22
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid

X1L

X1L
Name:	N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
Formula:	C20 H23 F2 N3 O4 S
SMILES:	FC(C)(F)c1nc(Oc2ccccc2)c(cn1)C(=O)NC(CCS(C)(=O)=O)C1CC1
InChi:	InChI=1S/C20H23F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,12-13,16H,8-11H2,1-2H3,(H,24,26)
Definition date:	2023-10-19
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide

X8L

X8L
Name:	L-gulono-1,4-lactone
Formula:	C6 H10 O6
SMILES:	OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1
Synonyms:	(3S,4R,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one
Definition date:	2023-10-25
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(3~{S},4~{R},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one

X8X

X8X
Name:	L-galactono-1,4-lactone
Formula:	C6 H10 O6
SMILES:	OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1
Synonyms:	(3S,4S,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one
Definition date:	2023-10-25
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(3~{S},4~{S},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one

XSL

XSL
Name:	[2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
Formula:	C16 H15 F3 N O5 P
SMILES:	O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2F
InChi:	InChI=1S/C16H15F3NO5P/c17-12-6-2-1-5-11(12)16(18,19)10-20-15(21)9-25-13-7-3-4-8-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24)
Definition date:	2023-01-30
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	[2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

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