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LQN

LQN
Name:	2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide
Formula:	C20 H14 F3 N O Se
SMILES:	FC(F)(F)c1ccc(cc1)c2cccc(NC(=O)c3ccccc3[SeH])c2
InChi:	InChI=1S/C20H14F3NOSe/c21-20(22,23)15-10-8-13(9-11-15)14-4-3-5-16(12-14)24-19(25)17-6-1-2-7-18(17)26/h1-12,26H,(H,24,25)
Definition date:	2019-09-02
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide

LQW

LQW
Name:	~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide
Formula:	C14 H12 Cl N O Se
SMILES:	Clc1ccc(CNC(=O)c2ccccc2[SeH])cc1
InChi:	InChI=1S/C14H12ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18/h1-8,18H,9H2,(H,16,17)
Definition date:	2019-09-02
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide

LR2

LR2
Name:	~{N}-pyridin-2-yl-2-selanyl-benzamide
Formula:	C12 H10 N2 O Se
SMILES:	[SeH]c1ccccc1C(=O)Nc2ccccn2
InChi:	InChI=1S/C12H10N2OSe/c15-12(9-5-1-2-6-10(9)16)14-11-7-3-4-8-13-11/h1-8,16H,(H,13,14,15)
Definition date:	2019-09-02
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	~{N}-pyridin-2-yl-2-selanyl-benzamide

S9Y

S9Y
Name:	2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
Formula:	C18 H39 N O6 P
SMILES:	CCCCCCCCCC(=O)O[CH](C)CO[P](O)(=O)OCC[N+](C)(C)C
InChi:	InChI=1S/C18H38NO6P/c1-6-7-8-9-10-11-12-13-18(20)25-17(2)16-24-26(21,22)23-15-14-19(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

SBJ

SBJ
Name:	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate
Formula:	C31 H62 N O8 P
SMILES:	CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN
InChi:	InChI=1S/C31H62NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-31(34)40-29(28-39-41(35,36)38-26-25-32)27-37-30(33)23-21-19-8-6-4-2/h29H,3-28,32H2,1-2H3,(H,35,36)/t29-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate

SBM

SBM
Name:	2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
Formula:	C30 H61 N O8 P
SMILES:	CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC
InChi:	InChI=1S/C30H60NO8P/c1-6-8-10-12-14-15-17-18-20-22-29(32)36-26-28(27-38-40(34,35)37-25-24-31(3,4)5)39-30(33)23-21-19-16-13-11-9-7-2/h28H,6-27H2,1-5H3/p+1/t28-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

BVO

BVO
Name:	3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
Formula:	C23 H13 F2 N3 O3
SMILES:	OCc1cccc(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34
InChi:	InChI=1S/C23H13F2N3O3/c24-17-9-14(10-18(25)19(17)13-5-3-4-12(8-13)11-29)28-21-20(26-27-28)22(30)15-6-1-2-7-16(15)23(21)31/h1-10,29H,11H2
Definition date:	2019-03-14
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione

BVU

BVU
Name:	3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione
Formula:	C22 H10 F3 N3 O2
SMILES:	Fc1ccccc1c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34
InChi:	InChI=1S/C22H10F3N3O2/c23-15-8-4-3-7-14(15)18-16(24)9-11(10-17(18)25)28-20-19(26-27-28)21(29)12-5-1-2-6-13(12)22(20)30/h1-10H
Definition date:	2019-03-14
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione

BW9

BW9
Name:	Chromium Protoporphyrin IX
Formula:	C34 H32 Cr N4 O4
SMILES:	CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Cr][N]5C(=CC6=NC(=Cc4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C
InChi:	InChI=1S/C34H34N4O4.Cr/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:	2019-03-19
Last modified:	2020-03-13
Release date:	2020-03-18

CO0

CO0
Name:	(3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione
Formula:	C17 H14 N2 O2
SMILES:	CN1C(=O)c2ccccc2NC(=O)C1=Cc3ccccc3
InChi:	InChI=1S/C17H14N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-11H,1H3,(H,18,20)/b15-11-
Definition date:	2019-05-10
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	(3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione

J8T

J8T
Name:	[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
Formula:	C6 H14 N O6 P
SMILES:	CC(C)(CO[P](O)(O)=O)[CH](O)C(N)=O
InChi:	InChI=1S/C6H14NO6P/c1-6(2,4(8)5(7)9)3-13-14(10,11)12/h4,8H,3H2,1-2H3,(H2,7,9)(H2,10,11,12)/t4-/m0/s1
Definition date:	2019-02-11
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate

JC8

JC8
Name:	6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide
Formula:	C17 H17 F N4 O
SMILES:	NC(=O)c1ccc(nc1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4
InChi:	InChI=1S/C17H17FN4O/c18-16-13(14-3-1-9(7-20-14)17(19)23)5-10(8-21-16)12-6-11-2-4-15(12)22-11/h1,3,5,7-8,11-12,15,22H,2,4,6H2,(H2,19,23)/t11-,12+,15+/m0/s1
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide

JCE

JCE
Name:	5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine
Formula:	C17 H15 N5
SMILES:	Nc1cc([nH]n1)c2ccc3ccn(Cc4ccccn4)c3c2
InChi:	InChI=1S/C17H15N5/c18-17-10-15(20-21-17)13-5-4-12-6-8-22(16(12)9-13)11-14-3-1-2-7-19-14/h1-10H,11H2,(H3,18,20,21)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine

JCK

JCK
Name:	5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Formula:	C24 H24 N6
SMILES:	Nc1[nH]nc(c2ccc3ccn(Cc4ccc(CN5CCCC5)cc4)c3c2)c1C#N
InChi:	InChI=1S/C24H24N6/c25-14-21-23(27-28-24(21)26)20-8-7-19-9-12-30(22(19)13-20)16-18-5-3-17(4-6-18)15-29-10-1-2-11-29/h3-9,12-13H,1-2,10-11,15-16H2,(H3,26,27,28)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile

JCW

JCW
Name:	2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide
Formula:	C17 H17 F N4 O
SMILES:	NC(=O)c1ccnc(c1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4
InChi:	InChI=1S/C17H17FN4O/c18-16-13(15-6-9(17(19)23)3-4-20-15)5-10(8-21-16)12-7-11-1-2-14(12)22-11/h3-6,8,11-12,14,22H,1-2,7H2,(H2,19,23)/t11-,12+,14+/m0/s1
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide

JCZ

JCZ
Name:	3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine
Formula:	C11 H10 N4
SMILES:	Nc1[nH]nc(c1)c2ccc3cc[nH]c3c2
InChi:	InChI=1S/C11H10N4/c12-11-6-10(14-15-11)8-2-1-7-3-4-13-9(7)5-8/h1-6,13H,(H3,12,14,15)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine

JD2

JD2
Name:	5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Formula:	C18 H14 N6
SMILES:	Nc1[nH]nc(c2ccc3ccn(Cc4ccccn4)c3c2)c1C#N
InChi:	InChI=1S/C18H14N6/c19-10-15-17(22-23-18(15)20)13-5-4-12-6-8-24(16(12)9-13)11-14-3-1-2-7-21-14/h1-9H,11H2,(H3,20,22,23)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile

JDH

JDH
Name:	5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Formula:	C25 H27 N7
SMILES:	CN1CCN(CC1)Cc2ccc(Cn3ccc4ccc(cc34)c5n[nH]c(N)c5C#N)cc2
InChi:	InChI=1S/C25H27N7/c1-30-10-12-31(13-11-30)16-18-2-4-19(5-3-18)17-32-9-8-20-6-7-21(14-23(20)32)24-22(15-26)25(27)29-28-24/h2-9,14H,10-13,16-17H2,1H3,(H3,27,28,29)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile

CQ9

CQ9
Name:	(3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
Formula:	C17 H14 N2 O3
SMILES:	CN1C(=O)c2ccccc2NC(=O)[C]13O[CH]3c4ccccc4
InChi:	InChI=1S/C17H14N2O3/c1-19-15(20)12-9-5-6-10-13(12)18-16(21)17(19)14(22-17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,21)/t14-,17+/m0/s1
Definition date:	2019-05-10
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	(3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione

JEQ

JEQ
Name:	5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Formula:	C25 H26 N6
SMILES:	Nc1[nH]nc(c2ccc3ccn(C[CH]4CCCN(C4)Cc5ccccc5)c3c2)c1C#N
InChi:	InChI=1S/C25H26N6/c26-14-22-24(28-29-25(22)27)21-9-8-20-10-12-31(23(20)13-21)17-19-7-4-11-30(16-19)15-18-5-2-1-3-6-18/h1-3,5-6,8-10,12-13,19H,4,7,11,15-17H2,(H3,27,28,29)/t19-/m1/s1
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile

JFH

JFH
Name:	3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine
Formula:	C23 H25 N5
SMILES:	Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccc(CN5CCCC5)cc4)c3c2
InChi:	InChI=1S/C23H25N5/c24-23-14-21(25-26-23)20-8-7-19-9-12-28(22(19)13-20)16-18-5-3-17(4-6-18)15-27-10-1-2-11-27/h3-9,12-14H,1-2,10-11,15-16H2,(H3,24,25,26)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine

JGH

JGH
Name:	1:2 Ce-substituted Keggin
Formula:	Ce H2 O78 P2 W22
SMILES:	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23[O]45[W]678O[W]9%10O[W]1%11%12O[W]4%13(O6)O[W]%14%15(O%11)O[W]%16%17%18O[W]5(O7)(O%13)O[W]%19%20(O[W]%21(O9)(O8)O[W]%22(O%19)(O[W](O%14)(O%16)(O[Ce]%23%24%25(O%10)(O[W]%26%27O[W]%28%29(O[PH]%30%31[O]%32%33[W]%34%35(O%26)O[W]%36%37(O%27)O[W]%38%39%40O[W]%32%41(O%34)O[W]%33(O%28)(O%35)O[W]%42%43(O%29)O[W]%44(O%41)(O%38)O[W](O%42)(O[W](O%36)(O%39)(O%23)[O]%30%37%40)(O%24)[O]%31%43%44)O%25)(O%12)O%22)[O]2%15%17)[O]3%20%21)O%18
InChi:	InChI=1S/Ce.2HO4P.22H2O.48O.22W/c
Definition date:	2019-02-21
Last modified:	2020-03-13
Release date:	2020-03-18

JGK

JGK
Name:	~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
Formula:	C25 H23 N3 O5
SMILES:	CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4c(C)onc4N)C(C)=O
InChi:	InChI=1S/C25H23N3O5/c1-4-31-21-8-7-16(14(2)29)13-20(21)17-10-18(23-15(3)33-28-24(23)26)12-19(11-17)27-25(30)22-6-5-9-32-22/h5-13H,4H2,1-3H3,(H2,26,28)(H,27,30)
Definition date:	2019-02-22
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide

JH8

JH8
Name:	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide
Formula:	C22 H20 N4 O
SMILES:	CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccccc34
InChi:	InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3
Definition date:	2019-02-25
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide

JHK

JHK
Name:	~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide
Formula:	C21 H19 N5 O
SMILES:	CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccncc34
InChi:	InChI=1S/C21H19N5O/c1-25(2)21(27)14-26-13-18(10-24-26)15-3-5-16(6-4-15)19-12-23-9-17-7-8-22-11-20(17)19/h3-13H,14H2,1-2H3
Definition date:	2019-02-26
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide

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