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A1I9F

A1I9F
Name:	(2~{S})-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-2-(oxan-4-ylmethyl)-4-oxidanylidene-butanoic acid
Formula:	C44 H47 F3 N6 O6
SMILES:	C[C](CC1CCOCC1)(CC(=O)N2[CH]3CC[CH]2CN(C3)c4nc(OC[C]56CCCN5C[CH](F)C6)nc7c(F)c(ncc47)c8cc(O)cc9ccc(F)c(C#C)c89)C(O)=O
InChi:	InChI=1S/C44H47F3N6O6/c1-3-31-34(46)8-5-26-15-30(54)16-32(36(26)31)38-37(47)39-33(20-48-38)40(50-42(49-39)59-24-44-11-4-12-52(44)21-27(45)18-44)51-22-28-6-7-29(23-51)53(28)35(55)19-43(2,41(56)57)17-25-9-13-58-14-10-25/h1,5,8,15-16,20,25,27-29,54H,4,6-7,9-14,17-19,21-24H2,2H3,(H,56,57)/t27-,28-,29+,43+,44+/m1/s1
Definition date:	2025-04-02
Last modified:	2025-07-18
Release date:	2025-07-23
Identifier:	(2~{S})-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-2-(oxan-4-ylmethyl)-4-oxidanylidene-butanoic acid

A1IHZ

A1IHZ
Name:	2-sulfanylpyridine-3-carboximidamide
Formula:	C6 H7 N3 S
SMILES:	NC(=N)c1cccnc1S
InChi:	InChI=1S/C6H7N3S/c7-5(8)4-2-1-3-9-6(4)10/h1-3H,(H3,7,8)(H,9,10)
Definition date:	2024-07-10
Last modified:	2025-07-18
Release date:	2025-07-23
Identifier:	2-sulfanylpyridine-3-carboximidamide

A1IIA

A1IIA
Name:	(1S)-3-(methylamino)-1-thiophen-2-yl-propan-1-ol
Formula:	C8 H13 N O S
SMILES:	CNCC[CH](O)c1sccc1
InChi:	InChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/m0/s1
Definition date:	2024-07-16
Last modified:	2025-07-18
Release date:	2025-07-23
Identifier:	(1~{S})-3-(methylamino)-1-thiophen-2-yl-propan-1-ol

A1IXN

A1IXN
Name:	2-oxidanylidene-~{N}-[3-(4-phenylpiperazin-1-yl)propyl]-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide
Formula:	C26 H28 N6 O2
SMILES:	O=C(NCCCN1CCN(CC1)c2ccccc2)N3C(=O)Nc4ccc(cc34)c5cccnc5
InChi:	InChI=1S/C26H28N6O2/c33-25(28-12-5-13-30-14-16-31(17-15-30)22-7-2-1-3-8-22)32-24-18-20(21-6-4-11-27-19-21)9-10-23(24)29-26(32)34/h1-4,6-11,18-19H,5,12-17H2,(H,28,33)(H,29,34)
Definition date:	2024-12-26
Last modified:	2025-07-18
Release date:	2025-07-23
Identifier:	2-oxidanylidene-~{N}-[3-(4-phenylpiperazin-1-yl)propyl]-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide

A1JHM

A1JHM
Name:	~{N}-[3-chloranyl-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]phenyl]-5-[(dimethylamino)methyl]-1~{H}-pyrrole-2-carboxamide
Formula:	C19 H25 Cl N4 O3
SMILES:	CN(C)Cc1[nH]c(cc1)C(=O)Nc2cc(Cl)cc(c2)C(=O)NC(C)(C)CO
InChi:	InChI=1S/C19H25ClN4O3/c1-19(2,11-25)23-17(26)12-7-13(20)9-15(8-12)22-18(27)16-6-5-14(21-16)10-24(3)4/h5-9,21,25H,10-11H2,1-4H3,(H,22,27)(H,23,26)
Definition date:	2025-06-18
Last modified:	2025-07-18
Release date:	2025-07-23
Identifier:	~{N}-[3-chloranyl-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]phenyl]-5-[(dimethylamino)methyl]-1~{H}-pyrrole-2-carboxamide

A1JHN

A1JHN
Name:	6-chloranyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-1~{H}-indazole-4-carboxamide
Formula:	C16 H13 Cl N4 O
SMILES:	Clc1cc2[nH]ncc2c(c1)C(=O)Nc3ccc4CNCc4c3
InChi:	InChI=1S/C16H13ClN4O/c17-11-4-13(14-8-19-21-15(14)5-11)16(22)20-12-2-1-9-6-18-7-10(9)3-12/h1-5,8,18H,6-7H2,(H,19,21)(H,20,22)
Definition date:	2025-06-18
Last modified:	2025-07-18
Release date:	2025-07-23
Identifier:	6-chloranyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-1~{H}-indazole-4-carboxamide

A1L3B

A1L3B
Name:	4-[(2~{S})-1-[[(~{R})-[(3~{S})-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-3-yl]-phenyl-methyl]amino]propan-2-yl]benzenecarbonitrile
Formula:	C28 H28 N6 O
SMILES:	C[CH](CN[CH]([CH]1CNc2cc(cnc2O1)c3cnn(C)c3)c4ccccc4)c5ccc(cc5)C#N
InChi:	InChI=1S/C28H28N6O/c1-19(21-10-8-20(13-29)9-11-21)14-31-27(22-6-4-3-5-7-22)26-17-30-25-12-23(15-32-28(25)35-26)24-16-33-34(2)18-24/h3-12,15-16,18-19,26-27,30-31H,14,17H2,1-2H3/t19-,26+,27-/m1/s1
Definition date:	2024-07-26
Last modified:	2025-07-18
Release date:	2025-07-23
Identifier:	4-[(2~{S})-1-[[(~{R})-[(3~{S})-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-3-yl]-phenyl-methyl]amino]propan-2-yl]benzenecarbonitrile

A1L3P

A1L3P
Name:	5-Carboxymethylaminomethyluridine
Formula:	C12 H18 N3 O11 P
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(CNCC(O)=O)C(=O)NC2=O
InChi:	InChI=1S/C12H18N3O11P/c16-7(17)2-13-1-5-3-15(12(21)14-10(5)20)11-9(19)8(18)6(26-11)4-25-27(22,23)24/h3,6,8-9,11,13,18-19H,1-2,4H2,(H,16,17)(H,14,20,21)(H2,22,23,24)/t6-,8-,9-,11-/m1/s1
Synonyms:	2-[[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]methylamino]ethanoic acid
Definition date:	2024-08-16
Last modified:	2025-07-18
Release date:	2025-07-23
Identifier:	2-[[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]methylamino]ethanoic acid

A
Name:	ADENOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2025-07-17
Identifier:	5'-adenylic acid

79I

79I
Name:	3-[(2S)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one
Formula:	C7 H13 N3 O
SMILES:	N[CH](C[CH]1CCNC1=O)C=N
InChi:	InChI=1S/C7H13N3O/c8-4-6(9)3-5-1-2-10-7(5)11/h4-6,8H,1-3,9H2,(H,10,11)/b8-4+/t5-,6-/m0/s1
Definition date:	2021-09-28
Last modified:	2025-07-17
Release date:	2021-11-03
Identifier:	(3~{S})-3-[(2~{S})-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one

PHZ

PHZ
Name:	1-PHENYLHYDRAZINE
Formula:	C6 H8 N2
SMILES:	NNc1ccccc1
InChi:	InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
Synonyms:	phenyldiazane
Definition date:	2005-07-29
Last modified:	2025-07-17
Identifier:	phenylhydrazine

PV6

PV6
Name:	2-sulfanylbenzamide
Formula:	C7 H7 N O S
SMILES:	O=C(N)c1ccccc1S
InChi:	InChI=1S/C7H7NOS/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H2,8,9)
Definition date:	2023-05-05
Last modified:	2025-07-16
Release date:	2023-06-14
Identifier:	2-sulfanylbenzamide

ELA

ELA
Name:	Elaidic acid
Formula:	C18 H34 O2
SMILES:	O=C(O)CCCCCCC/C=C/CCCCCCCC
InChi:	InChI=1S/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)/b10-9+
Synonyms:	9-OCTADECENOIC ACID
Definition date:	1999-07-08
Last modified:	2025-07-16
Identifier:	(9E)-octadec-9-enoic acid

Z4W

Z4W
Name:	beta-D-lyxopyranose
Formula:	C5 H10 O5
SMILES:	OC1C(O)COC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5-/m1/s1
Synonyms:	beta-D-lyxose
Definition date:	2012-12-18
Last modified:	2025-07-15
Release date:	2020-07-29
Identifier:	beta-D-lyxopyranose

QQ7

QQ7
Name:	cucurbit[7]uril
Formula:	C42 H42 N28 O14
SMILES:	O=C1[N]2C[N]3C4C5[N](C[N]6C7C8[N](C[N]9C%10C%11[N](C[N]%12C%13C%14[N](C[N]%15C%16C%17[N](C[N]%18C%19C%20[N](C[N]1C%21C2N%22CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%21C%22=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O
InChi:	InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,28+
Definition date:	2010-02-01
Last modified:	2025-07-15

ZYH

ZYH
Name:	(2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone
Formula:	C25 H30 N6 O2
SMILES:	O=C(c1ccc2nc(oc2c1)C3CCCCC3)N6CC(N5CCN(c4ncccn4)CC5)C6
InChi:	InChI=1S/C25H30N6O2/c32-24(19-7-8-21-22(15-19)33-23(28-21)18-5-2-1-3-6-18)31-16-20(17-31)29-11-13-30(14-12-29)25-26-9-4-10-27-25/h4,7-10,15,18,20H,1-3,5-6,11-14,16-17H2
Definition date:	2010-10-26
Last modified:	2025-07-15
Identifier:	(2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone

3CD

3CD
Name:	3-(CHLOROACETYL) PYRIDINE ADENINE DINUCLEOTIDE
Formula:	C22 H28 Cl N6 O14 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(=O)CCl)[CH](O)[CH]3O
InChi:	InChI=1S/C22H27ClN6O14P2/c23-4-11(30)10-2-1-3-28(5-10)21-17(33)15(31)12(41-21)6-39-44(35,36)43-45(37,38)40-7-13-16(32)18(34)22(42-13)29-9-27-14-19(24)25-8-26-20(14)29/h1-3,5,8-9,12-13,15-18,21-22,31-34H,4,6-7H2,(H3-,24,25,26,35,36,37,38)/p+1/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
Synonyms:	3-CAPAD
Definition date:	2010-02-10
Last modified:	2025-07-15
Identifier:	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-[3-(2-chloroethanoyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

A1AZA

A1AZA
Name:	2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one
Formula:	C21 H20 F2 N4 O2
SMILES:	Fc1cc(ccc1CC(=O)N1CCN(CC1)c1nc2ncc(F)cc2o1)C1CC1
InChi:	InChI=1S/C21H20F2N4O2/c22-16-11-18-20(24-12-16)25-21(29-18)27-7-5-26(6-8-27)19(28)10-15-4-3-14(9-17(15)23)13-1-2-13/h3-4,9,11-13H,1-2,5-8,10H2
Definition date:	2024-07-12
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one

A1BMF

A1BMF
Name:	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol
Formula:	C15 H26 S
SMILES:	C/C(C)=CCCC(C)=CCCC(C)=CCS
InChi:	InChI=1S/C15H26S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
Definition date:	2024-12-20
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol

A1A2B

A1A2B
Name:	4-{(3S)-9-(cyclohexylmethyl)-5-[(3R,5R)-4-(3-fluoro-5-methoxyphenyl)-3,5-dimethylpiperazine-1-sulfonyl]-3-methyl-1,5,9-triazacyclododecane-1-sulfonyl}-N,N-dimethylaniline
Formula:	C38 H61 F N6 O5 S2
SMILES:	CC1CN(CC(C)N1c1cc(F)cc(OC)c1)S(=O)(=O)N1CCCN(CC2CCCCC2)CCCN(CC(C)C1)S(=O)(=O)c1ccc(cc1)N(C)C
InChi:	InChI=1S/C38H61FN6O5S2/c1-30-25-42(51(46,47)38-16-14-35(15-17-38)40(4)5)20-10-18-41(29-33-12-8-7-9-13-33)19-11-21-43(26-30)52(48,49)44-27-31(2)45(32(3)28-44)36-22-34(39)23-37(24-36)50-6/h14-17,22-24,30-33H,7-13,18-21,25-29H2,1-6H3/t30-,31+,32+/m0/s1
Definition date:	2024-08-16
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	4-{(3S)-9-(cyclohexylmethyl)-5-[(3R,5R)-4-(3-fluoro-5-methoxyphenyl)-3,5-dimethylpiperazine-1-sulfonyl]-3-methyl-1,5,9-triazacyclododecane-1-sulfonyl}-N,N-dimethylaniline

A1EGA

A1EGA
Name:	2-methyl-~{N}-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
Formula:	C17 H19 F3 N4 O3 S
SMILES:	Cn1nc(cc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCCC3)C(F)(F)F
InChi:	InChI=1S/C17H19F3N4O3S/c1-23-14(11-15(22-23)17(18,19)20)16(25)21-12-5-7-13(8-6-12)28(26,27)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10H2,1H3,(H,21,25)
Definition date:	2024-11-22
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	2-methyl-~{N}-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

A1D9Z

A1D9Z
Name:	(2~{R},3~{R})-4-oxidanyl-3-propyl-2-[(3~{E},6~{S},7~{S},9~{E})-3,7,9-trimethyl-6,11-bis(oxidanyl)-2-oxidanylidene-undeca-3,9-dienyl]-2,3-dihydropyran-6-one
Formula:	C22 H34 O6
SMILES:	CCC[CH]1[CH](CC(=O)C(C)=CC[CH](O)[CH](C)CC(C)=CCO)OC(=O)C=C1O
InChi:	InChI=1S/C22H34O6/c1-5-6-17-20(26)13-22(27)28-21(17)12-19(25)15(3)7-8-18(24)16(4)11-14(2)9-10-23/h7,9,13,16-18,21,23-24,26H,5-6,8,10-12H2,1-4H3/b14-9+,15-7+/t16-,17-,18-,21+/m0/s1
Definition date:	2024-07-17
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	(2~{R},3~{R})-4-oxidanyl-3-propyl-2-[(3~{E},6~{S},7~{S},9~{E})-3,7,9-trimethyl-6,11-bis(oxidanyl)-2-oxidanylidene-undeca-3,9-dienyl]-2,3-dihydropyran-6-one

A1IHD

A1IHD
Name:	1-[(3~{R})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
Formula:	C22 H20 Cl F N4 O3
SMILES:	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[CH]4CCN(C4)C(=O)C=C
InChi:	InChI=1S/C22H20ClFN4O3/c1-3-21(29)28-7-6-14(11-28)31-20-9-15-18(10-19(20)30-2)25-12-26-22(15)27-13-4-5-17(24)16(23)8-13/h3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27)/t14-/m1/s1
Definition date:	2024-07-08
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	1-[(3~{R})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one

A1INE

A1INE
Name:	Sulphostin
Formula:	C5 H13 N4 O5 P S
SMILES:	N[CH]1CCCN(C1=O)[P](N)(=O)N[S](O)(=O)=O
InChi:	InChI=1S/C5H13N4O5PS/c6-4-2-1-3-9(5(4)10)15(7,11)8-16(12,13)14/h4H,1-3,6H2,(H3,7,8,11)(H,12,13,14)/t4-,15-/m0/s1
Synonyms:	[azanyl-[(3~{S})-3-azanyl-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid
Definition date:	2024-09-06
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	[azanyl-[(3~{S})-3-azanyl-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid

A1INF

A1INF
Name:	azanyl-oxidanylidene-(sulfoamino)phosphanium
Formula:	H4 N2 O4 P S
SMILES:	N[P+](=O)N[S](O)(=O)=O
InChi:	InChI=1S/H3N2O4PS/c1-7(3)2-8(4,5)6/h(H3-,1,2,3,4,5,6)/p+1
Definition date:	2024-09-06
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	azanyl-oxidanylidene-(sulfoamino)phosphanium

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