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D9D

D9D
Name:	(1S,2S,3S,4R,5R)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:	C16 H24 N2 O6
SMILES:	OC2C(C3COC(C2N1CCOCC1)O3)NCc4oc(CO)cc4
InChi:	InChI=1S/C16H24N2O6/c19-8-11-2-1-10(23-11)7-17-13-12-9-22-16(24-12)14(15(13)20)18-3-5-21-6-4-18/h1-2,12-17,19-20H,3-9H2/t12-,13-,14-,15+,16-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1S,2S,3S,4R,5R)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)

D9M

D9M
Name:	(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:	C16 H23 N3 O4
SMILES:	O1CCN(CC1)C3C4OCC(C(NCc2ccncc2)C3O)O4
InChi:	InChI=1S/C16H23N3O4/c20-15-13(18-9-11-1-3-17-4-2-11)12-10-22-16(23-12)14(15)19-5-7-21-8-6-19/h1-4,12-16,18,20H,5-10H2/t12-,13-,14-,15+,16-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)

D9S

D9S
Name:	2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide
Formula:	C23 H29 N5 O2 S
SMILES:	c1cc(ccc1)CN(Cc2cc(no2)CC3CNCCC3CC(Nc4nccs4)=O)C
InChi:	InChI=1S/C23H29N5O2S/c1-28(15-17-5-3-2-4-6-17)16-21-13-20(27-30-21)11-19-14-24-8-7-18(19)12-22(29)26-23-25-9-10-31-23/h2-6,9-10,13,18-19,24H,7-8,11-12,14-16H2,1H3,(H,25,26,29)/t18-,19-/m0/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide

D9V

D9V
Name:	(1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:	C16 H24 N2 O4
SMILES:	OC3C(NCc1occc1)C4COC(C3N2CCCCC2)O4
InChi:	InChI=1S/C16H24N2O4/c19-15-13(17-9-11-5-4-8-20-11)12-10-21-16(22-12)14(15)18-6-2-1-3-7-18/h4-5,8,12-17,19H,1-3,6-7,9-10H2/t12-,13-,14-,15+,16-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)

D9Y

D9Y
Name:	1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
Formula:	C18 H31 N3 O4
SMILES:	OC3C(NC(=O)NC1CCCCC1)C4COC(C3N2CCCCC2)O4
InChi:	InChI=1S/C18H31N3O4/c22-16-14(20-18(23)19-12-7-3-1-4-8-12)13-11-24-17(25-13)15(16)21-9-5-2-6-10-21/h12-17,22H,1-11H2,(H2,19,20,23)/t13-,14-,15-,16+,17-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea (non-preferred name)

DC7

DC7
Name:	4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol
Formula:	C16 H22 N4 O S
SMILES:	c1cc(cnc1)CN(Cc3nc(C2(O)CCNCC2)cs3)C
InChi:	InChI=1S/C16H22N4OS/c1-20(10-13-3-2-6-18-9-13)11-15-19-14(12-22-15)16(21)4-7-17-8-5-16/h2-3,6,9,12,17,21H,4-5,7-8,10-11H2,1H3
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol

DD4

DD4
Name:	(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
Formula:	C13 H14 F N3 O2
SMILES:	c1(cc(F)c(C)cc1)c2noc(n2)C3NCC(C3)O
InChi:	InChI=1S/C13H14FN3O2/c1-7-2-3-8(4-10(7)14)12-16-13(19-17-12)11-5-9(18)6-15-11/h2-4,9,11,15,18H,5-6H2,1H3/t9-,11-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

DD7

DD7
Name:	(1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:	C19 H21 N O3 S
SMILES:	c1ccccc1CNC3C2OC(OC2)C(C3O)Sc4ccccc4
InChi:	InChI=1S/C19H21NO3S/c21-17-16(20-11-13-7-3-1-4-8-13)15-12-22-19(23-15)18(17)24-14-9-5-2-6-10-14/h1-10,15-21H,11-12H2/t15-,16-,17+,18-,19-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)

DDV

DDV
Name:	(1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:	C16 H21 N O3 S
SMILES:	c1ccccc1SC2C4OC(C(C2O)NCC3CC3)CO4
InChi:	InChI=1S/C16H21NO3S/c18-14-13(17-8-10-6-7-10)12-9-19-16(20-12)15(14)21-11-4-2-1-3-5-11/h1-5,10,12-18H,6-9H2/t12-,13-,14+,15-,16-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)

G2Y

G2Y
Name:	1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside
Formula:	C12 H19 Cl3 O8
SMILES:	C2(C(C(O)C(OC1(OC(C(O)C1O)CCl)CCl)OC2CO)O)Cl
InChi:	InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-/m0/s1
Definition date:	2018-05-03
Last modified:	2020-04-16
Release date:	2018-08-08
Identifier:	1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside

EDJ

EDJ
Name:	2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid
Formula:	C21 H21 Br N4 O5
SMILES:	c1(c(Br)cnc(n1)Nc2cc(OC)c(OC)c(OC)c2)Oc3ccccc3/C(O)=N/C
InChi:	InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
Definition date:	2018-01-02
Last modified:	2020-04-13
Release date:	2018-05-09
Identifier:	2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid

5KU

5KU
Name:	(6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid
Formula:	C18 H31 N5 O10
SMILES:	COCCOCCNC(=O)OC(C1C(C(N=C(N)N)C=C(O1)C(O)=O)NC(=O)C)C(CO)O
InChi:	InChI=1S/C18H31N5O10/c1-9(25)22-13-10(23-17(19)20)7-12(16(27)28)32-15(13)14(11(26)8-24)33-18(29)21-3-4-31-6-5-30-2/h7,10-11,13-15,24,26H,3-6,8H2,1-2H3,(H,21,29)(H,22,25)(H,27,28)(H4,19,20,23)/t10-,11+,13+,14-,15-/m1/s1
Definition date:	2015-10-15
Last modified:	2020-04-12
Release date:	2016-03-02
Identifier:	(6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid

K5W

K5W
Name:	2,3-bis(fluoranyl)benzenesulfonamide
Formula:	C6 H5 F2 N O2 S
SMILES:	N[S](=O)(=O)c1cccc(F)c1F
InChi:	InChI=1S/C6H5F2NO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11)
Definition date:	2019-04-29
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3-bis(fluoranyl)benzenesulfonamide

U0M

U0M
Name:	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine
Formula:	C9 H12 F N3 S
SMILES:	C=1CCN(CC=1F)Cc2nnc(C)s2
InChi:	InChI=1S/C9H12FN3S/c1-7-11-12-9(14-7)6-13-4-2-3-8(10)5-13/h3H,2,4-6H2,1H3
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine

L1Q

L1Q
Name:	2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide
Formula:	C9 H9 F4 N O2 S
SMILES:	CCCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
InChi:	InChI=1S/C9H9F4NO2S/c1-2-3-4-5(10)7(12)9(17(14,15)16)8(13)6(4)11/h2-3H2,1H3,(H2,14,15,16)
Definition date:	2019-07-13
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide

U0P

U0P
Name:	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
Formula:	C10 H15 N3 O2
SMILES:	C(N(C)Cc1noc(c1)C)(NC2CC2)=O
InChi:	InChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

WMH

WMH
Name:	1-methyl-1H-1,2,3-triazole
Formula:	C3 H5 N3
SMILES:	n1(nncc1)C
InChi:	InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3
Definition date:	2019-08-23
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-methyl-1H-1,2,3-triazole

U0S

U0S
Name:	(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
Formula:	C11 H15 N3 O
SMILES:	C3CC2(CN(c1nccnc1)CC2)CO3
InChi:	InChI=1S/C11H15N3O/c1-5-14(10-7-12-3-4-13-10)8-11(1)2-6-15-9-11/h3-4,7H,1-2,5-6,8-9H2/t11-/m0/s1
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane

U0V

U0V
Name:	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
Formula:	C14 H13 F N2 O
SMILES:	c2(CCNC(c1c(F)cccc1)=O)ccncc2
InChi:	InChI=1S/C14H13FN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide

U0Y

U0Y
Name:	1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one
Formula:	C14 H18 N2 O2
SMILES:	N2(CCN(C(c1ccc(cc1)C)=O)CC2)C(C)=O
InChi:	InChI=1S/C14H18N2O2/c1-11-3-5-13(6-4-11)14(18)16-9-7-15(8-10-16)12(2)17/h3-6H,7-10H2,1-2H3
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one

U1A

U1A
Name:	1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C13 H18 N2 O3 S
SMILES:	N1(CCN(CC1)S(c2ccc(cc2)C)(=O)=O)C(=O)C
InChi:	InChI=1S/C13H18N2O3S/c1-11-3-5-13(6-4-11)19(17,18)15-9-7-14(8-10-15)12(2)16/h3-6H,7-10H2,1-2H3
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one

U1D

U1D
Name:	N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
Formula:	C11 H14 N2 O2 S
SMILES:	N(NC(C)=O)C(c2cc1CCCCc1s2)=O
InChi:	InChI=1S/C11H14N2O2S/c1-7(14)12-13-11(15)10-6-8-4-2-3-5-9(8)16-10/h6H,2-5H2,1H3,(H,12,14)(H,13,15)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

U1G

U1G
Name:	1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one
Formula:	C11 H14 N2 O3
SMILES:	N1(CCN(CC1)C(C)=O)C(c2ccco2)=O
InChi:	InChI=1S/C11H14N2O3/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one

L2K

L2K
Name:	3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
Formula:	C11 H10 F2 N4
SMILES:	Fc1ccc(cc1F)C2=NNC3=NCCN3C2
InChi:	InChI=1S/C11H10F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-2,5H,3-4,6H2,(H,14,16)
Definition date:	2019-07-16
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine

U1M

U1M
Name:	1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C14 H20 N2 O3 S
SMILES:	N2(CCN(S(c1ccc(cc1C)C)(=O)=O)CC2)C(C)=O
InChi:	InChI=1S/C14H20N2O3S/c1-11-4-5-14(12(2)10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one

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