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VF8

VF8
Name:	(3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one
Formula:	C33 H41 Cl N2 O5 S
SMILES:	CO[CH]1C=CC[CH](C)[CH](C)[S](=O)(=O)NC(=O)c2ccc3OC[C]4(CCCc5cc(Cl)ccc45)C[N](C[CH]6CC[CH]16)c3c2
InChi:	InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1
Definition date:	2021-05-13
Last modified:	2023-05-19
Release date:	2023-05-24

UL6

UL6
Name:	[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:	C13 H23 N O8
SMILES:	CC(=O)NC1C(O)C(O)C(CO)OC1OCC1COCCO1
InChi:	InChI=1S/C13H23NO8/c1-7(16)14-10-12(18)11(17)9(4-15)22-13(10)21-6-8-5-19-2-3-20-8/h8-13,15,17-18H,2-6H2,1H3,(H,14,16)/t8-,9+,10+,11+,12+,13+/m0/s1
Definition date:	2023-03-14
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

VUF

VUF
Name:	1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone
Formula:	C28 H35 Cl N6 O
SMILES:	CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCCC4)c5ccc(Cl)cc5
InChi:	InChI=1S/C28H35ClN6O/c1-20(36)34-15-17-35(18-16-34)23-9-10-24-25(19-23)32-27(33-26(24)31-14-13-30)28(11-3-2-4-12-28)21-5-7-22(29)8-6-21/h5-10,19H,2-4,11-18,30H2,1H3,(H,31,32,33)
Definition date:	2023-04-05
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone

Y4K

Y4K
Name:	3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazinyl}benzene-1-sulfonamide
Formula:	C15 H18 N4 O4 S
SMILES:	O=S(N)(=O)c1cc(c(NNCC(C)c2ccccc2)cc1)N(=O)=O
InChi:	InChI=1S/C15H18N4O4S/c1-11(12-5-3-2-4-6-12)10-17-18-14-8-7-13(24(16,22)23)9-15(14)19(20)21/h2-9,11,17-18H,10H2,1H3,(H2,16,22,23)/t11-/m1/s1
Definition date:	2023-01-04
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazinyl}benzene-1-sulfonamide

Y4Q

Y4Q
Name:	6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazinyl}pyrimidin-4(5H)-one
Formula:	C14 H15 N5 O3
SMILES:	CC1=NC(NNC=CCc2ccccc2N(=O)=O)=NC(=O)C1
InChi:	InChI=1S/C14H15N5O3/c1-10-9-13(20)17-14(16-10)18-15-8-4-6-11-5-2-3-7-12(11)19(21)22/h2-5,7-8,15H,6,9H2,1H3,(H,17,18,20)/b8-4+
Definition date:	2023-01-04
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazinyl}pyrimidin-4(5H)-one

Y4U

Y4U
Name:	1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one
Formula:	C12 H11 N O3 S
SMILES:	O=C(C)c1ccn(c1)S(=O)(=O)c1ccccc1
InChi:	InChI=1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3
Definition date:	2023-01-04
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one

UM9

UM9
Name:	2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:	C14 H25 N O7
SMILES:	CC(=O)C(C)(C)COC1OC(CO)C(O)C(O)C1NC(C)=O
InChi:	InChI=1S/C14H25NO7/c1-7(17)14(3,4)6-21-13-10(15-8(2)18)12(20)11(19)9(5-16)22-13/h9-13,16,19-20H,5-6H2,1-4H3,(H,15,18)/t9-,10-,11-,12-,13-/m1/s1
Definition date:	2023-03-14
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

OJR

OJR
Name:	(2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
Formula:	C24 H31 N7 O2 S
SMILES:	NS(=O)(=O)c1c(ccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)CC1CCNCC1
InChi:	InChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31)
Definition date:	2022-05-09
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide

OK0

OK0
Name:	(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide
Formula:	C19 H19 F3 N6 O2 S
SMILES:	FC(F)(F)c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1
InChi:	InChI=1S/C19H19F3N6O2S/c20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12/h1-6,12,24H,7-10H2,(H2,23,29,30)(H,25,26,27,28)
Definition date:	2022-05-09
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide

OKC

OKC
Name:	(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
Formula:	C18 H20 N6 O2 S
SMILES:	NS(=O)(=O)c1cccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1
InChi:	InChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-2-15(17(16)18-21-23-24-22-18)14-6-4-12(5-7-14)13-8-10-20-11-9-13/h1-7,13,20H,8-11H2,(H2,19,25,26)(H,21,22,23,24)
Definition date:	2022-05-09
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide

VY3

VY3
Name:	~{N}-[2-[2-[2-[2-[2-[2-[3-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide
Formula:	C42 H62 Cl N7 O8
SMILES:	CC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCC4)c5ccc(Cl)cc5
InChi:	InChI=1S/C42H62ClN7O8/c1-33(51)45-15-21-54-23-25-56-27-29-58-31-30-57-28-26-55-24-22-53-20-10-39(52)50-18-16-49(17-19-50)36-8-9-37-38(32-36)47-41(48-40(37)46-14-13-44)42(11-2-3-12-42)34-4-6-35(43)7-5-34/h4-9,32H,2-3,10-31,44H2,1H3,(H,45,51)(H,46,47,48)
Definition date:	2023-04-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	~{N}-[2-[2-[2-[2-[2-[2-[3-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide

Y9N

Y9N
Name:	N-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide
Formula:	C38 H40 F2 N6 O5 S
SMILES:	COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)c1cc(Nc2nc(ccn2)c2cccnc2)c(C)cc1
InChi:	InChI=1S/C38H40F2N6O5S/c1-24(2)22-46(52(49,50)32-11-9-31(51-4)10-12-32)23-36(47)35(18-26-16-29(39)20-30(40)17-26)43-37(48)27-8-7-25(3)34(19-27)45-38-42-15-13-33(44-38)28-6-5-14-41-21-28/h5-17,19-21,24,35-36,47H,18,22-23H2,1-4H3,(H,43,48)(H,42,44,45)/t35-,36+/m0/s1
Definition date:	2023-01-18
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	N-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide

Y9R

Y9R
Name:	N-{(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-4-methyl-3-{[(4P)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide
Formula:	C37 H41 N7 O4 S
SMILES:	Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)c1cc(Nc2nc(ccn2)c2cccnc2)c(C)cc1
InChi:	InChI=1S/C37H41N7O4S/c1-25(2)23-44(49(47,48)31-15-13-30(38)14-16-31)24-35(45)34(20-27-8-5-4-6-9-27)41-36(46)28-12-11-26(3)33(21-28)43-37-40-19-17-32(42-37)29-10-7-18-39-22-29/h4-19,21-22,25,34-35,45H,20,23-24,38H2,1-3H3,(H,41,46)(H,40,42,43)/t34-,35+/m0/s1
Definition date:	2023-01-18
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	N-{(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-4-methyl-3-{[(4P)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide

W08

W08
Name:	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide
Formula:	C16 H23 N7 O4
SMILES:	CN1CCC(CC1)NC(=O)[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C16H23N7O4/c1-22-4-2-8(3-5-22)21-15(26)12-10(24)11(25)16(27-12)23-7-20-9-13(17)18-6-19-14(9)23/h6-8,10-12,16,24-25H,2-5H2,1H3,(H,21,26)(H2,17,18,19)/t10-,11+,12-,16+/m0/s1
Synonyms:	(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-N-(1-methyl-4-piperidinyl)tetrahydro-2-furancarboxamide
Definition date:	2023-04-21
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide

P5O

P5O
Name:	5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol
Formula:	C15 H14 O4
SMILES:	COc1cc(ccc1O)C=Cc2cc(O)cc(O)c2
InChi:	InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
Definition date:	2023-03-03
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol

ZG9

ZG9
Name:	[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside
Formula:	C14 H25 N O8
SMILES:	CC(=O)NC1C(O)C(O)C(COC)OC1OCC1COCCO1
InChi:	InChI=1S/C14H25NO8/c1-8(16)15-11-13(18)12(17)10(7-19-2)23-14(11)22-6-9-5-20-3-4-21-9/h9-14,17-18H,3-7H2,1-2H3,(H,15,16)/t9-,10+,11+,12+,13+,14+/m0/s1
Definition date:	2023-03-09
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside

K8U

K8U
Name:	[(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate
Formula:	C83 H150 O17 P2
SMILES:	CCCCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h22-23,26-27,34-35,37,40,42,45,52,56,77-79,84H,5-21,24-25,28-33,36,38-39,41,43-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b26-22+,27-23-,37-34-,40-35+,45-42+,56-52+/t77-,78+,79+/m1/s1
Definition date:	2022-09-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	[(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate

TT6

TT6
Name:	4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile
Formula:	C12 H11 N3 S
SMILES:	Cc1nc(N)sc1Cc2ccc(cc2)C#N
InChi:	InChI=1S/C12H11N3S/c1-8-11(16-12(14)15-8)6-9-2-4-10(7-13)5-3-9/h2-5H,6H2,1H3,(H2,14,15)
Definition date:	2023-01-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile

TU5

TU5
Name:	3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
Formula:	C11 H10 F3 N3
SMILES:	Cc1cn(cn1)c2cc(N)cc(c2)C(F)(F)F
InChi:	InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3
Definition date:	2023-01-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline

TUU

TUU
Name:	4-(1,4-diazepan-1-ylsulfonyl)isoquinoline
Formula:	C14 H17 N3 O2 S
SMILES:	O=[S](=O)(N1CCCNCC1)c2cncc3ccccc23
InChi:	InChI=1S/C14H17N3O2S/c18-20(19,17-8-3-6-15-7-9-17)14-11-16-10-12-4-1-2-5-13(12)14/h1-2,4-5,10-11,15H,3,6-9H2
Definition date:	2023-01-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	4-(1,4-diazepan-1-ylsulfonyl)isoquinoline

TV6

TV6
Name:	1-[3,5-bis(chloranyl)phenoxy]propan-2-amine
Formula:	C9 H11 Cl2 N O
SMILES:	C[CH](N)COc1cc(Cl)cc(Cl)c1
InChi:	InChI=1S/C9H11Cl2NO/c1-6(12)5-13-9-3-7(10)2-8(11)4-9/h2-4,6H,5,12H2,1H3/t6-/m0/s1
Definition date:	2023-01-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	1-[3,5-bis(chloranyl)phenoxy]propan-2-amine

TVI

TVI
Name:	(3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol
Formula:	C12 H14 Br N5 O2
SMILES:	O[CH]1CNC[CH]1n2cc(COc3cncc(Br)c3)nn2
InChi:	InChI=1S/C12H14BrN5O2/c13-8-1-10(3-14-2-8)20-7-9-6-18(17-16-9)11-4-15-5-12(11)19/h1-3,6,11-12,15,19H,4-5,7H2/t11-,12-/m1/s1
Definition date:	2023-01-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol

TVO

TVO
Name:	(3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol
Formula:	C13 H18 N2 O
SMILES:	O[CH]1CNC[CH]1N2CCc3ccccc3C2
InChi:	InChI=1S/C13H18N2O/c16-13-8-14-7-12(13)15-6-5-10-3-1-2-4-11(10)9-15/h1-4,12-14,16H,5-9H2/t12-,13-/m1/s1
Definition date:	2023-01-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol

TW0

TW0
Name:	(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol
Formula:	C12 H15 N5 O
SMILES:	O[CH]1CNCC[CH]1n2cc(nn2)c3ccccn3
InChi:	InChI=1S/C12H15N5O/c18-12-7-13-6-4-11(12)17-8-10(15-16-17)9-3-1-2-5-14-9/h1-3,5,8,11-13,18H,4,6-7H2/t11-,12-/m0/s1
Definition date:	2023-01-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol

TWX

TWX
Name:	(3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol
Formula:	C13 H17 N5 O2
SMILES:	Nc1ccc(OCc2cn(nn2)[CH]3CNC[CH]3O)cc1
InChi:	InChI=1S/C13H17N5O2/c14-9-1-3-11(4-2-9)20-8-10-7-18(17-16-10)12-5-15-6-13(12)19/h1-4,7,12-13,15,19H,5-6,8,14H2/t12-,13-/m1/s1
Definition date:	2023-01-13
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol

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