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QAK

QAK
Name:	(6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol
Formula:	C40 H78 O
SMILES:	CC(C)CC=C[CH](C)CC=C[CH](C)CCC[CH](C)CCCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)(C)O
InChi:	InChI=1S/C40H78O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h13,16,22,28,33-39,41H,11-12,14-15,17-21,23-27,29-32H2,1-10H3/b22-13+,28-16+/t34-,35-,36-,37+,38+,39-/m1/s1
Definition date:	2020-05-30
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol

QFT

QFT
Name:	2-fluoranyl-5-nitro-phenol
Formula:	C6 H4 F N O3
SMILES:	Oc1cc(ccc1F)[N](=O)=O
InChi:	InChI=1S/C6H4FNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H
Definition date:	2020-06-15
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-fluoranyl-5-nitro-phenol

QFZ

QFZ
Name:	2,3,4,5,6-pentakis(fluoranyl)phenol
Formula:	C6 H F5 O
SMILES:	Oc1c(F)c(F)c(F)c(F)c1F
InChi:	InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
Definition date:	2020-06-15
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2,3,4,5,6-pentakis(fluoranyl)phenol

H4L

H4L
Name:	3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol
Formula:	C20 H21 N3 O3
SMILES:	C[CH](O)c1nccn1Cc2cc(on2)C#Cc3ccc(CCCO)cc3
InChi:	InChI=1S/C20H21N3O3/c1-15(25)20-21-10-11-23(20)14-18-13-19(26-22-18)9-8-17-6-4-16(5-7-17)3-2-12-24/h4-7,10-11,13,15,24-25H,2-3,12,14H2,1H3/t15-/m0/s1
Definition date:	2020-11-05
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol

H4O

H4O
Name:	5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol
Formula:	C20 H21 N3 O3
SMILES:	C[CH](O)c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO
InChi:	InChI=1S/C20H21N3O3/c1-15(25)20-21-10-11-23(20)14-18-13-19(26-22-18)17-8-6-16(7-9-17)5-3-2-4-12-24/h6-11,13,15,24-25H,2,4,12,14H2,1H3/t15-/m0/s1
Definition date:	2020-11-05
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol

H4R

H4R
Name:	4-[(1~{R},5~{S})-6-[2-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
Formula:	C26 H28 N4 O4
SMILES:	C[CH](O)c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC4[CH]5CN(CCCC(O)=O)C[CH]45
InChi:	InChI=1S/C26H28N4O4/c1-17(31)26-27-10-12-30(26)14-20-13-24(34-28-20)19-7-4-18(5-8-19)6-9-21-22-15-29(16-23(21)22)11-2-3-25(32)33/h4-5,7-8,10,12-13,17,21-23,31H,2-3,11,14-16H2,1H3,(H,32,33)/t17-,21-,22-,23+/m0/s1
Definition date:	2020-11-05
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-[(1~{R},5~{S})-6-[2-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid

S65

S65
Name:	heptachlor endo-epoxide
Formula:	C10 H5 Cl7 O
SMILES:	Cl[CH]1[CH]2O[CH]2[CH]3[CH]1[C]4(Cl)C(=C(Cl)[C]3(Cl)C4(Cl)Cl)Cl
InChi:	InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4+,5-,8+,9-/m0/s1
Synonyms:	(1aR,1bR,5aS,6R,6aR)-2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-2H-2,5-methanoindeno[1,2-b]oxirene
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13

S68

S68
Name:	endosulfan
Formula:	C9 H6 Cl6 O3 S
SMILES:	ClC1=C(Cl)[C]2(Cl)[CH]3CO[S](=O)OC[CH]3[C]1(Cl)C2(Cl)Cl
InChi:	InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19+
Synonyms:	6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methanobenzo[e][1,3,2]dioxathiepine 3-oxide
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(1~{S},2~{R},8~{S},9~{R})-1,9,10,11,12,12-hexakis(chloranyl)-4,6-dioxa-5$l^{4}-thiatricyclo[7.2.1.0^{2,8}]dodec-10-ene 5-oxide

S6E

S6E
Name:	(-)cis-chlordane
Formula:	C10 H6 Cl8
SMILES:	Cl[CH]1C[CH]2[CH]([CH]1Cl)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
InChi:	InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m1/s1
Synonyms:	(1~{S},2~{R},3~{S},4~{R},6~{R},7~{R})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(1~{S},2~{R},3~{S},4~{R},6~{R},7~{R})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene

S6H

S6H
Name:	(+)cis-chlordane
Formula:	C10 H6 Cl8
SMILES:	Cl[CH]1C[CH]2[CH]([CH]1Cl)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
InChi:	InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1
Synonyms:	(1~{R},2~{S},3~{R},4~{S},6~{S},7~{S})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(1~{R},2~{S},3~{R},4~{S},6~{S},7~{S})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene

S6T

S6T
Name:	pretilachlor
Formula:	C17 H26 Cl N O2
SMILES:	CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
InChi:	InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
Synonyms:	2-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide

S6W

S6W
Name:	fipronil
Formula:	C12 H4 Cl2 F6 N4 O S
SMILES:	Nc1n(nc(C#N)c1[S](=O)C(F)(F)F)c2c(Cl)cc(cc2Cl)C(F)(F)F
InChi:	InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2/t26-/m1/s1
Synonyms:	5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile

S6Y

S6Y
Name:	6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid
Formula:	C9 H12 N2 O3
SMILES:	CC(C)CC1=NC(=O)NC(=C1)C(O)=O
InChi:	InChI=1S/C9H12N2O3/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14)
Definition date:	2020-03-05
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-(2-methylpropyl)-2-oxidanylidene-1~{H}-pyrimidine-6-carboxylic acid

S6Z

S6Z
Name:	oxadiazon
Formula:	C15 H18 Cl2 N2 O3
SMILES:	CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl
InChi:	InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
Synonyms:	3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-5-~{tert}-butyl-1,3,4-oxadiazol-2-one
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-5-~{tert}-butyl-1,3,4-oxadiazol-2-one

S9H

S9H
Name:	7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
Formula:	C21 H20 N4 O2
SMILES:	COc1ccc(Nc2nccc(n2)c3ccc4NC(=O)CCCc4c3)cc1
InChi:	InChI=1S/C21H20N4O2/c1-27-17-8-6-16(7-9-17)23-21-22-12-11-19(25-21)15-5-10-18-14(13-15)3-2-4-20(26)24-18/h5-13H,2-4H2,1H3,(H,24,26)(H,22,23,25)
Definition date:	2020-11-12
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

S9K

S9K
Name:	7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
Formula:	C20 H18 N4 O
SMILES:	O=C1CCCc2cc(ccc2N1)c3ccnc(Nc4ccccc4)n3
InChi:	InChI=1S/C20H18N4O/c25-19-8-4-5-14-13-15(9-10-17(14)23-19)18-11-12-21-20(24-18)22-16-6-2-1-3-7-16/h1-3,6-7,9-13H,4-5,8H2,(H,23,25)(H,21,22,24)
Definition date:	2020-11-12
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

374

374
Name:	(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
Formula:	C22 H24 F2 N2 O4
SMILES:	COc1ccc(c(F)c1)C(=O)N2C[CH](C)N([CH](C)C2)C(=O)c3ccc(OC)cc3F
InChi:	InChI=1S/C22H24F2N2O4/c1-13-11-25(21(27)17-7-5-15(29-3)9-19(17)23)12-14(2)26(13)22(28)18-8-6-16(30-4)10-20(18)24/h5-10,13-14H,11-12H2,1-4H3/t13-,14-/m1/s1
Definition date:	2020-03-06
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone

TEV

TEV
Name:	6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid
Formula:	C6 H6 N2 O3
SMILES:	O=C1N=C(CC(=N1)C)C(O)=O
InChi:	InChI=1S/C6H6N2O3/c1-3-2-4(5(9)10)8-6(11)7-3/h2H2,1H3,(H,9,10)
Definition date:	2020-03-20
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid

TJ4

TJ4
Name:	5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
Formula:	C7 H8 N2 O3
SMILES:	O=C1NC(=C(C(=N1)C)C)C(O)=O
InChi:	InChI=1S/C7H8N2O3/c1-3-4(2)8-7(12)9-5(3)6(10)11/h1-2H3,(H,10,11)(H,8,9,12)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid

TJD

TJD
Name:	methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
Formula:	C10 H8 N2 O3
SMILES:	N2=C(C(=O)OC)c1c(cccc1)NC2=O
InChi:	InChI=1S/C10H8N2O3/c1-15-9(13)8-6-4-2-3-5-7(6)11-10(14)12-8/h2-5H,1H3,(H,11,12,14)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate

TJJ

TJJ
Name:	2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
Formula:	C5 H4 N2 O3
SMILES:	O=C1N=CC=C(N1)C(O)=O
InChi:	InChI=1S/C5H4N2O3/c8-4(9)3-1-2-6-5(10)7-3/h1-2H,(H,8,9)(H,6,7,10)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-oxo-2,3-dihydropyrimidine-4-carboxylic acid

TJP

TJP
Name:	methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate
Formula:	C6 H6 N2 O3
SMILES:	O=C1NC(C(=O)OC)=CC=N1
InChi:	InChI=1S/C6H6N2O3/c1-11-5(9)4-2-3-7-6(10)8-4/h2-3H,1H3,(H,7,8,10)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	methyl 2-oxo-2,3-dihydropyrimidine-4-carboxylate

TJS

TJS
Name:	2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid
Formula:	C9 H10 N2 O3
SMILES:	C1CCCC2=C1NC(N=C2C(O)=O)=O
InChi:	InChI=1S/C9H10N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid

TJY

TJY
Name:	2-oxo-1,2-dihydroquinazoline-4-carboxylic acid
Formula:	C9 H6 N2 O3
SMILES:	O=C2N=C(C(=O)O)c1c(cccc1)N2
InChi:	InChI=1S/C9H6N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H,(H,12,13)(H,10,11,14)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-oxo-1,2-dihydroquinazoline-4-carboxylic acid

SMU

SMU
Name:	[5,15-diphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]manganese
Formula:	C32 H20 Mn N4
SMILES:	c45ccc6C(c1ccccc1)=C7C=CC=8C=C2N9C(C=C2)=C(C3=[N+](C(C=C3)=C4)[Mn]9(n56)[N+]7=8)c%10ccccc%10
InChi:	InChI=1S/C32H20N4.Mn/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24
Definition date:	2020-08-13
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[5,15-diphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]manganese(2+)

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