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K8H

K8H
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
Formula:	C19 H28 N6 O3
SMILES:	Nc1ncnc2n(ccc12)[CH]3O[CH](CN4CCCC45CCNCC5)[CH](O)[CH]3O
InChi:	InChI=1S/C19H28N6O3/c20-16-12-2-9-25(17(12)23-11-22-16)18-15(27)14(26)13(28-18)10-24-8-1-3-19(24)4-6-21-7-5-19/h2,9,11,13-15,18,21,26-27H,1,3-8,10H2,(H2,20,22,23)/t13-,14-,15-,18-/m1/s1
Definition date:	2019-05-02
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol

N4K

N4K
Name:	5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole
Formula:	C27 H32 N4 O2 S
SMILES:	Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(OC5CCNCC5)cc4)C6CCC6
InChi:	InChI=1S/C27H32N4O2S/c1-30-24-11-16-34-26(24)17-25(30)27-29-23(19-3-2-4-19)18-31(27)14-15-32-20-5-7-21(8-6-20)33-22-9-12-28-13-10-22/h5-8,11,16-19,22,28H,2-4,9-10,12-15H2,1H3
Definition date:	2019-11-11
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole

U64

U64
Name:	6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile
Formula:	C25 H23 F2 N5 O2 S
SMILES:	c4(cc(C1(C)C2C(SC(=N1)N)(C2)C(=O)N3CCOCC3)c(F)cc4)[C@H]=C(F)c5ccc(cn5)C#N
InChi:	InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1
Definition date:	2020-04-27
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile

SY4

SY4
Name:	~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide
Formula:	C9 H12 F2 N2 O2 S
SMILES:	CCC[S](=O)(=O)Nc1cc(N)c(F)cc1F
InChi:	InChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide

SY7

SY7
Name:	2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine
Formula:	C28 H30 N6 O4
SMILES:	COc1cc(CN2[CH](N[CH]([CH]2c3ccnc(OC)c3)c4ccnc(OC)c4)c5ccnc(OC)c5)ccn1
InChi:	InChI=1S/C28H30N6O4/c1-35-22-13-18(5-9-29-22)17-34-27(20-7-11-31-24(15-20)37-3)26(19-6-10-30-23(14-19)36-2)33-28(34)21-8-12-32-25(16-21)38-4/h5-16,26-28,33H,17H2,1-4H3/t26-,27-,28-/m0/s1
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine

SYA

SYA
Name:	2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid
Formula:	C8 H5 F3 O3
SMILES:	COc1c(F)c(F)cc(C(O)=O)c1F
InChi:	InChI=1S/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13)
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid

SYG

SYG
Name:	2-[(1~{S})-1-azanylpropyl]phenol
Formula:	C9 H13 N O
SMILES:	CC[CH](N)c1ccccc1O
InChi:	InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m0/s1
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(1~{S})-1-azanylpropyl]phenol

SYJ

SYJ
Name:	2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide
Formula:	C11 H10 F N O3 S
SMILES:	Fc1ccccc1[S](=O)(=O)NCc2occc2
InChi:	InChI=1S/C11H10FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide

SYV

SYV
Name:	6-azanyl-3-methyl-1,3-benzoxazol-2-one
Formula:	C8 H8 N2 O2
SMILES:	CN1C(=O)Oc2cc(N)ccc12
InChi:	InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	6-azanyl-3-methyl-1,3-benzoxazol-2-one

SZ7

SZ7
Name:	~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide
Formula:	C9 H10 N2 O S
SMILES:	O=C(NN=Cc1sccc1)C2CC2
InChi:	InChI=1S/C9H10N2OS/c12-9(7-3-4-7)11-10-6-8-2-1-5-13-8/h1-2,5-7H,3-4H2,(H,11,12)/b10-6+
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide

SZA

SZA
Name:	~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
Formula:	C12 H12 N2 O S
SMILES:	O=C(NCCc1sccc1)c2ccncc2
InChi:	InChI=1S/C12H12N2OS/c15-12(10-3-6-13-7-4-10)14-8-5-11-2-1-9-16-11/h1-4,6-7,9H,5,8H2,(H,14,15)
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide

O3H

O3H
Name:	2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one
Formula:	C19 H21 N5 O S
SMILES:	O=C1NC(=Nc2ccccc12)SCCN3CCN(CC3)c4ccccn4
InChi:	InChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25)
Definition date:	2020-01-22
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one

O42

O42
Name:	4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C18 H19 N3 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3
InChi:	InChI=1S/C18H19N3O4S/c19-26(24,25)16-8-6-15(7-9-16)18(23)21-12-10-20(11-13-21)17(22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,24,25)
Definition date:	2020-01-28
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide

H66

H66
Name:	2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide
Formula:	C21 H31 N5 O S2
SMILES:	Nc2nc(SCC(NCCN1CCCCC1)=O)nc4c2c3CCC(Cc3s4)CC
InChi:	InChI=1S/C21H31N5OS2/c1-2-14-6-7-15-16(12-14)29-20-18(15)19(22)24-21(25-20)28-13-17(27)23-8-11-26-9-4-3-5-10-26/h14H,2-13H2,1H3,(H,23,27)(H2,22,24,25)/t14-/m0/s1
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide

LQK

LQK
Name:	(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
Formula:	C26 H27 N3 O6
SMILES:	NC(=O)[CH]1CC[CH]1C(=O)N2CCc3c(OCCO)cccc3[CH]2CN4C(=O)c5ccccc5C4=O
InChi:	InChI=1S/C26H27N3O6/c27-23(31)17-8-9-20(17)24(32)28-11-10-16-15(6-3-7-22(16)35-13-12-30)21(28)14-29-25(33)18-4-1-2-5-19(18)26(29)34/h1-7,17,20-21,30H,8-14H2,(H2,27,31)/t17-,20+,21+/m0/s1
Definition date:	2019-08-30
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide

T9G

T9G
Name:	2-[(1R)-1-aminopropyl]phenol
Formula:	C9 H13 N O
SMILES:	c1cccc(O)c1C(N)CC
InChi:	InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m1/s1
Definition date:	2020-03-18
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(1R)-1-aminopropyl]phenol

KPQ

KPQ
Name:	1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
Formula:	C4 H2 F9 N O2 S
SMILES:	N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:	InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
Definition date:	2019-06-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide

R8A

R8A
Name:	(2-aminopyridin-3-yl)methanol
Formula:	C6 H8 N2 O
SMILES:	c1nc(N)c(CO)cc1
InChi:	InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2,(H2,7,8)
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(2-aminopyridin-3-yl)methanol

R8P

R8P
Name:	(1S)-1-(4-nitrophenyl)ethan-1-ol
Formula:	C8 H9 N O3
SMILES:	c1cc(ccc1[N+]([O-])=O)C(C)O
InChi:	InChI=1S/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3/t6-/m0/s1
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(1S)-1-(4-nitrophenyl)ethan-1-ol

RM7

RM7
Name:	2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide
Formula:	C20 H29 N5 O S2
SMILES:	C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCCC3)=O)N4CCCCC4
InChi:	InChI=1S/C20H29N5OS2/c21-18-17-14-7-3-1-4-8-15(14)28-19(17)24-20(23-18)27-13-16(26)22-9-12-25-10-5-2-6-11-25/h1-13H2,(H,22,26)(H2,21,23,24)
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide

R8S

R8S
Name:	2-hydrazinyl-4-methoxypyrimidine
Formula:	C5 H8 N4 O
SMILES:	c1(nc(ccn1)OC)NN
InChi:	InChI=1S/C5H8N4O/c1-10-4-2-3-7-5(8-4)9-6/h2-3H,6H2,1H3,(H,7,8,9)
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-hydrazinyl-4-methoxypyrimidine

R8V

R8V
Name:	(3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one
Formula:	C9 H9 N O2
SMILES:	c1cc2c(cc1)C(N(C)C2O)=O
InChi:	InChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3/t8-/m0/s1
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one

R8Y

R8Y
Name:	N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine
Formula:	C10 H13 N O3 S
SMILES:	C(CCN(C(c1sccc1)=O)CC)(O)=O
InChi:	InChI=1S/C10H13NO3S/c1-2-11(6-5-9(12)13)10(14)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,12,13)
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine

RMG

RMG
Name:	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
Formula:	C19 H28 N4 S2
SMILES:	C1CCCCN1CCCSc2nc(N)c3c(n2)sc4c3CCCCC4
InChi:	InChI=1S/C19H28N4S2/c20-17-16-14-8-3-1-4-9-15(14)25-18(16)22-19(21-17)24-13-7-12-23-10-5-2-6-11-23/h1-13H2,(H2,20,21,22)
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine

KQT

KQT
Name:	Berberine
Formula:	C28 H27 N2 O4
SMILES:	COc1ccc2c(CCCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC
InChi:	InChI=1S/C28H27N2O4/c1-31-24-7-6-20-21(5-3-4-18-8-11-29-12-9-18)27-22-15-26-25(33-17-34-26)14-19(22)10-13-30(27)16-23(20)28(24)32-2/h6-9,11-12,14-16H,3-5,10,13,17H2,1-2H3/q+1
Definition date:	2019-06-18
Last modified:	2020-05-29
Release date:	2020-06-03

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