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EER

EER
Name:	(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCCC[CH]1C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-5-3-2-4-8(11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid

EEX

EEX
Name:	(1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Formula:	C14 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O
InChi:	InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(1~{R})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid

EF0

EF0
Name:	1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-8(3-5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid

EF9

EF9
Name:	(3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC[CH](C1)C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-3-8(5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8+/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3~{S})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid

EFF

EFF
Name:	1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
Formula:	C10 H18 N2 O2 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)C(N)=O
InChi:	InChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide

EFR

EFR
Name:	2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide
Formula:	C11 H20 N2 O2 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)CC(N)=O
InChi:	InChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide

EG0

EG0
Name:	2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid
Formula:	C11 H19 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)CC(O)=O
InChi:	InChI=1S/C11H19NO3S/c1-8(7-16)11(15)12-4-2-9(3-5-12)6-10(13)14/h8-9,16H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid

EKX

EKX
Name:	(1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Formula:	C14 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O
InChi:	InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12+/m1/s1
Definition date:	2020-01-09
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(1~{S})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid

EDF

EDF
Name:	(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one
Formula:	C23 H25 N5 O
SMILES:	CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4ccccc4)cc12
InChi:	InChI=1S/C23H25N5O/c1-15(2)28-16(3)22(29)27(4)20-11-10-18(14-21(20)28)25-23-24-13-12-19(26-23)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,24,25,26)/t16-/m1/s1
Definition date:	2019-12-13
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one

GXO

GXO
Name:	[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
Formula:	C40 H51 F4 N5 O9 S
SMILES:	CC[CH]1C[CH](C)CCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C(=O)[CH]1NC(=O)OC(C)(C)C(F)(F)F)Oc4nccc5cc(OC)c(F)cc45)C(=O)N[S](=O)(=O)C6(C)CC6
InChi:	InChI=1S/C40H51F4N5O9S/c1-7-23-16-22(2)10-8-9-11-25-20-39(25,35(52)48-59(54,55)38(5)13-14-38)47-32(50)29-18-26(57-33-27-19-28(41)30(56-6)17-24(27)12-15-45-33)21-49(29)34(51)31(23)46-36(53)58-37(3,4)40(42,43)44/h9,11-12,15,17,19,22-23,25-26,29,31H,7-8,10,13-14,16,18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/b11-9-/t22-,23-,25-,26-,29+,31+,39-/m1/s1
Definition date:	2020-10-06
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate

QSK

QSK
Name:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acid
Formula:	C10 H13 F3 N3 O7 P
SMILES:	NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[PH](O)=O)[CH](O)[CH]2OC(F)(F)F
InChi:	InChI=1S/C10H13F3N3O7P/c11-10(12,13)23-7-6(17)4(3-21-24(19)20)22-8(7)16-2-1-5(14)15-9(16)18/h1-2,4,6-8,17,24H,3H2,(H,19,20)(H2,14,15,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2020-07-31
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acid

QSQ

QSQ
Name:	[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite
Formula:	C11 H13 F3 N5 O6 P
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](COP(O)O)[CH](O)[CH]3OC(F)(F)F
InChi:	InChI=1S/C11H13F3N5O6P/c12-11(13,14)25-7-6(20)4(1-23-26(21)22)24-10(7)19-3-18-5-8(15)16-2-17-9(5)19/h2-4,6-7,10,20-22H,1H2,(H2,15,16,17)/t4-,6-,7-,10-/m1/s1
Definition date:	2020-07-31
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite

QTA

QTA
Name:	3-(phenylsulfonyl)benzene-1-sulfonamide
Formula:	C12 H11 N O4 S2
SMILES:	c1(cc(S(N)(=O)=O)ccc1)S(c2ccccc2)(=O)=O
InChi:	InChI=1S/C12H11NO4S2/c13-19(16,17)12-8-4-7-11(9-12)18(14,15)10-5-2-1-3-6-10/h1-9H,(H2,13,16,17)
Definition date:	2019-12-18
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-(phenylsulfonyl)benzene-1-sulfonamide

R9Q

R9Q
Name:	3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile
Formula:	C17 H14 N2 O2
SMILES:	CN1C[CH](Oc2ccccc2C1=O)c3cccc(c3)C#N
InChi:	InChI=1S/C17H14N2O2/c1-19-11-16(13-6-4-5-12(9-13)10-18)21-15-8-3-2-7-14(15)17(19)20/h2-9,16H,11H2,1H3/t16-/m0/s1
Definition date:	2020-09-21
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile

RQS

RQS
Name:	N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide
Formula:	C20 H16 N4 O
SMILES:	n1cnc(c2c1ncc2)c4ccc(CNC(=O)c3ccccc3)cc4
InChi:	InChI=1S/C20H16N4O/c25-20(16-4-2-1-3-5-16)22-12-14-6-8-15(9-7-14)18-17-10-11-21-19(17)24-13-23-18/h1-11,13H,12H2,(H,22,25)(H,21,23,24)
Definition date:	2020-02-24
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide

NEK

NEK
Name:	3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid
Formula:	C10 H11 N O4
SMILES:	OC(=O)CCON=Cc1ccc(O)cc1
InChi:	InChI=1S/C10H11NO4/c12-9-3-1-8(2-4-9)7-11-15-6-5-10(13)14/h1-4,7,12H,5-6H2,(H,13,14)/b11-7+
Definition date:	2019-11-26
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid

NKB

NKB
Name:	5,6,7-tris(bromanyl)-1~{H}-benzotriazole
Formula:	C6 H2 Br3 N3
SMILES:	Brc1cc2nn[nH]c2c(Br)c1Br
InChi:	InChI=1S/C6H2Br3N3/c7-2-1-3-6(11-12-10-3)5(9)4(2)8/h1H,(H,10,11,12)
Definition date:	2019-12-03
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	5,6,7-tris(bromanyl)-1~{H}-benzotriazole

NKE

NKE
Name:	4,7-bis(bromanyl)-1~{H}-benzotriazole
Formula:	C6 H3 Br2 N3
SMILES:	Brc1ccc(Br)c2nn[nH]c12
InChi:	InChI=1S/C6H3Br2N3/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H,(H,9,10,11)
Definition date:	2019-12-03
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4,7-bis(bromanyl)-1~{H}-benzotriazole

NKT

NKT
Name:	6,7-bis(bromanyl)-1~{H}-benzotriazole
Formula:	C6 H3 Br2 N3
SMILES:	Brc1ccc2nn[nH]c2c1Br
InChi:	InChI=1S/C6H3Br2N3/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,(H,9,10,11)
Definition date:	2019-12-03
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6,7-bis(bromanyl)-1~{H}-benzotriazole

NKW

NKW
Name:	6-bromanyl-1~{H}-benzotriazole
Formula:	C6 H4 Br N3
SMILES:	Brc1ccc2nn[nH]c2c1
InChi:	InChI=1S/C6H4BrN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
Definition date:	2019-12-03
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-bromanyl-1~{H}-benzotriazole

NKZ

NKZ
Name:	7-bromanyl-1~{H}-benzotriazole
Formula:	C6 H4 Br N3
SMILES:	Brc1cccc2nn[nH]c12
InChi:	InChI=1S/C6H4BrN3/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,8,9,10)
Definition date:	2019-12-03
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	7-bromanyl-1~{H}-benzotriazole

NL2

NL2
Name:	5,7-bis(bromanyl)-1~{H}-benzotriazole
Formula:	C6 H3 Br2 N3
SMILES:	Brc1cc(Br)c2[nH]nnc2c1
InChi:	InChI=1S/C6H3Br2N3/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H,(H,9,10,11)
Definition date:	2019-12-03
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	5,7-bis(bromanyl)-1~{H}-benzotriazole

S9A

S9A
Name:	~{N}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide
Formula:	C23 H29 N7 O2
SMILES:	CC(C)OC1CN(C1)C(=O)NCc2ccc(cc2C)c3ccnc(Nc4cnn(C)c4)n3
InChi:	InChI=1S/C23H29N7O2/c1-15(2)32-20-13-30(14-20)23(31)25-10-18-6-5-17(9-16(18)3)21-7-8-24-22(28-21)27-19-11-26-29(4)12-19/h5-9,11-12,15,20H,10,13-14H2,1-4H3,(H,25,31)(H,24,27,28)
Definition date:	2020-03-06
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	~{N}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide

SQ8

SQ8
Name:	1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one
Formula:	C25 H23 Cl F N5 O3
SMILES:	CNc1cc2N(C[CH]3OC[CH](N)CO3)C(=O)C(=Cc2cn1)c4ccc(cc4Cl)c5ncccc5F
InChi:	InChI=1S/C25H23ClFN5O3/c1-29-22-9-21-15(10-31-22)7-18(25(33)32(21)11-23-34-12-16(28)13-35-23)17-5-4-14(8-19(17)26)24-20(27)3-2-6-30-24/h2-10,16,23H,11-13,28H2,1H3,(H,29,31)/t16-,23-
Definition date:	2020-11-30
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one

SQB

SQB
Name:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Formula:	C26 H27 Cl N6 O4
SMILES:	CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5nc(C)ccc5OC
InChi:	InChI=1S/C26H27ClN6O4/c1-14-4-7-21(35-3)23(31-14)15-5-6-18(20(27)9-15)19-8-16-10-30-26(29-2)32-24(16)33(25(19)34)11-22-36-12-17(28)13-37-22/h4-10,17,22H,11-13,28H2,1-3H3,(H,29,30,32)/t17-,22-
Definition date:	2020-11-30
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

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