CAS TestedForm	ChemName	MolWeight	Formula	SMILES TestedForm	InChI Tested Form
26148-68-5	A-alpha-C	183.2122	C11H9N3	NC1C=CC2=C(N=1)NC3=CC=CC=C23	InChI=1/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)
75-07-0	Acetaldehyde	44.053	C2H4O	CC=O	InChI=1/C2H4O/c1-2-3/h2H,1H3
16568-02-8	Acetaldehyde methylformylhydrazone	100.12	C4H8N2O	CC=NN(C)C=O	InChI=1/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3+
107-29-9	Acetaldoxime	59.0676	C2H5NO	CC=NO	InChI=1/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+
60-35-5	Acetamide	59.0676	C2H5NO	CC(=O)N	InChI=1/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
103-90-2	Acetaminophen	151.1646	C8H9NO2	C1(=CC=C(C=C1)O)NC(C)=O	InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
968-81-0	Acetohexamide	324.394	C15H20N2O4S	O=S(=O)(C1=CC=C(C=C1)C(=O)C)NC(=O)NC2CCCCC2	InChI=1/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
18523-69-8	Acetone[4-(5-nitro-2-furyl)-2-thiazolyl] hydrazone	266.274	C10H10N4O3S	C(/C)(C)=N\NC1=NC=C(S1)C2=CC=C(O2)[N+](=O)[O-]	InChI=1/C10H10N4O3S/c1-6(2)12-13-10-11-5-8(18-10)7-3-4-9(17-7)14(15)16/h3-5H,1-2H3,(H,11,13)
75-05-8	Acetonitrile	41.0524	C2H3N	CC#N	InChI=1/C2H3N/c1-2-3/h1H3
127-06-0	Acetoxime	73.0944	C3H7NO	CC(=NO)C	InChI=1/C3H7NO/c1-3(2)4-5/h5H,1-2H3
34627-78-6	1'-Acetoxysafrole	220.2213	C12H12O4	O=C(C)OC(C2=CC1=C(C=C2)OCO1)C=C	InChI=1/C12H12O4/c1-3-10(16-8(2)13)9-4-5-11-12(6-9)15-7-14-11/h3-6,10H,1,7H2,2H3
65734-38-5	N'-Acetyl-4-(hydroxymethyl) phenylhydrazine	180.206	C9H12N2O2	N(NC(C)=O)C1=CC=C(C=C1)CO	InChI=1/C9H12N2O2/c1-7(13)10-11-9-4-2-8(6-12)3-5-9/h2-5,11-12H,6H2,1H3,(H,10,13)
1078-38-2	1-Acetyl-2-isonicotinoylhydrazine	179.178	C8H9N3O2	N(NC(C)=O)C(C1=CC=NC=C1)=O	InChI=1/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13)
520-45-6	3-Acetyl-6-methyl-2,4-pyrandione	168.1488	C8H8O4	O=C1C(C(=O)OC(=C1)C)C(=O)C	InChI=1/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
114-83-0	1-Acetyl-2-phenylhydrazine	150.1798	C8H10N2O	C1(NNC(C)=O)=CC=CC=C1	InChI=1/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)
4075-79-0	4-Acetylaminobiphenyl	211.2628	C14H13NO	CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2	InChI=1/C14H13NO/c1-11(16)15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
28314-03-6	1-Acetylaminofluorene	223.2738	C15H13NO	CC(=O)NC1=C2CC3=CC=CC=C3C2=CC=C1	InChI=1/C15H13NO/c1-10(17)16-15-8-4-7-13-12-6-3-2-5-11(12)9-14(13)15/h2-8H,9H2,1H3,(H,16,17)
53-96-3	2-Acetylaminofluorene	223.2738	C15H13NO	C12C3=C(C=CC=C3)CC1=CC(=CC=2)NC(C)=O	InChI=1/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)
28322-02-3	4-Acetylaminofluorene	223.2738	C15H13NO	C12C3=C(C=CC=C3)CC1=CC=CC=2NC(C)=O	InChI=1/C15H13NO/c1-10(17)16-14-8-4-6-12-9-11-5-2-3-7-13(11)15(12)14/h2-8H,9H2,1H3,(H,16,17)
18699-02-0	4-Acetylaminophenylacetic acid	193.1992	C10H11NO3	O=C(O)Cc1ccc(cc1)NC(C)=O	InChI=1/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
616-91-1	N-Acetylcysteine	163.1949	C5H9NO3S	CC(=O)N[C@@H](CS)C(=O)O	InChI=1/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
50594-66-6	Acifluorfen	361.6612	C14H7ClF3NO5	OC(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2Cl)C(F)(F)F)[N+](=O)[O-]	InChI=1/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
107-02-8	Acrolein	56.064	C3H4O	C=CC=O	InChI=1/C3H4O/c1-2-3-4/h2-3H,1H2
3054-95-3	Acrolein diethylacetal	130.1864	C7H14O2	C=CC(OCC)OCC	InChI=1/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3
5314-33-0	Acrolein oxime	71.0786	C3H5NO	C=C/C=N/O	InChI=1/C3H5NO/c1-2-3-4-5/h2-3,5H,1H2/b4-3+
7008-42-6	Acronycine	321.375	C20H19NO3	CN1C2=C(C(OC)=CC3=C2C=CC(O3)(C)C)C(C4=C1C=CC=C4)=O	InChI=1/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3
79-06-1	Acrylamide	71.0786	C3H5NO	NC(=O)C=C	InChI=1/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
79-10-7	Acrylic acid	72.0634	C3H4O2	OC(=O)C=C	InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
107-13-1	Acrylonitrile	53.0634	C3H3N	C=CC#N	InChI=1/C3H3N/c1-2-3-4/h2H,1H2
8052-16-2	Actinomycin C				
50-76-0	Actinomycin D	1255.4322	C62H86N12O16	C12C(OC3=C(N=1)C(=CC=C3C)C(N[C@@H]4C(N[C@@H](C(N5[C@@H](CCC5)C(N(CC(N([C@H](C(O[C@H]4C)=O)C(C)C)C)=O)C)=O)=O)C(C)C)=O)=O)=C(C(C(=C2C(N[C@@H]6C(N[C@@H](C(N7[C@@H](CCC7)C(N(CC(N([C@H](C(O[C@H]6C)=O)C(C)C)C)=O)C)=O)=O)C(C)C)=O)=O)N)=O)C	InChI=1/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51
628-94-4	Adipamide	144.173	C6H12N2O2	NC(=O)CCCCC(=O)N	InChI=1/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
3688-53-7	AF-2	248.1946	C11H8N2O5	NC(=O)/C(=C/C1=CC=C(O1)[N+](=O)[O-])C2=CC=CO2	InChI=1/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6+
29611-03-8	Aflatoxicol	314.294	C17H14O6	O=C(O2)C([C@@H](CC3)O)=C3C1=C2C4=C(O[C@@]5([H])[C@]([H])4C=CO5)C=C1OC	InChI=1/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8-9,17-18H,2-3H2,1H3/t8-,9+,17-/m0/s1
1162-65-8	Aflatoxin B1	312.2782	C17H12O6	C12=C3C(C4=C(C(O3)=O)C(=O)CC4)=C(C=C1OC5C2C=CO5)OC	InChI=1/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3
1402-68-2	Aflatoxin, crude				
9002-18-0	Agar				
22131-79-9	Alclofenac	226.6562	C11H11ClO3	Clc1cc(ccc1OCC=C)CC(O)=O	InChI=1/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)
116-06-3	Aldicarb	190.2598	C7H14N2O2S	CC(C=NOC(=O)NC)(SC)C	InChI=1/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
309-00-2	Aldrin	364.9132	C12H8Cl6	ClC4(Cl)[C@@]2(Cl)C(/Cl)=C(/Cl)[C@]4(Cl)[C@@H]3[C@@H]\1C[C@@H](/C=C/1)[C@H]23	InChI=1/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5-,6-,7+,10-,11+/m1/s1
42615-29-2	Alkylbenzenesulfonate, linear				
NOCAS	Alkyldimethylamine oxides, commercial grade				
97-59-6	Allantoin	158.1164	C4H6N4O3	O=C1C(NC(=O)N1)NC(=O)N	InChI=1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
107-18-6	Allyl alcohol	58.0798	C3H6O	C=CCO	InChI=1/C3H6O/c1-2-3-4/h2,4H,1,3H2
107-05-1	Allyl chloride	76.5255	C3H5Cl	C=CCCl	InChI=1/C3H5Cl/c1-2-3-4/h2H,1,3H2
106-92-3	Allyl glycidyl ether	114.1438	C6H10O2	C=CCOCC1CO1	InChI=1/C6H10O2/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2
57-06-7	Allyl isothiocyanate	99.1502	C4H5NS	C=CCN=C=S	InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
2835-39-4	Allyl isovalerate	142.1974	C8H14O2	O=C(CC(C)C)OCC=C	InChI=1/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3
760-56-5	1-Allyl-1-nitrosourea	129.1182	C4H7N3O2	NC(=O)N(CC=C)N=O	InChI=1/C4H7N3O2/c1-2-3-7(6-9)4(5)8/h2H,1,3H2,(H2,5,8)
52207-83-7	Allylhydrazine.HCl	108.5705	C3H9ClN2	C=CCNN.HCl	InChI=1/C3H8N2.ClH/c1-2-3-5-4;/h2,5H,1,3-4H2;1H
10043-67-1	Aluminum potassium sulfate	258.18674	AlKO8S2	O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[K+]	InChI=1/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4
81-49-2	1-Amino-2,4-dibromoanthraquinone	381.0228	C14H7Br2NO2	O=C1C2=C(C(=CC(=C2C(=O)C3=C1C=CC=C3)Br)Br)N	InChI=1/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2
17026-81-2	3-Amino-4-ethoxyacetanilide	194.2328	C10H14N2O2	NC1=C(C=CC(=C1)NC(=O)C)OCC	InChI=1/C10H14N2O2/c1-3-14-10-5-4-8(6-9(10)11)12-7(2)13/h4-6H,3,11H2,1-2H3,(H,12,13)
6109-97-3	3-Amino-9-ethylcarbazole.HCl	246.7389	C14H15ClN2	CCN1(C2C(=CC=CC=2)C3=C1C=CC(=C3)N).[H]Cl	InChI=1/C14H14N2.ClH/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16;/h3-9H,2,15H2,1H3;1H
NOCAS	3-Amino-9-ethylcarbazole mixture				
NOCAS	3-Amino-4-[2-[(2-guanidinothiazol-4-yl)methylthio], ethylamino]-1,2,5-thiadiazole	330.4561	C9H14N8S3	N=C(N)NC1=NC(CSCCNC2=NSN=C2N)=CS1	InChI=1/C9H14N8S3/c10-6-7(17-20-16-6)13-1-2-18-3-5-4-19-9(14-5)15-8(11)12/h4H,1-3H2,(H2,10,16)(H,13,17)(H4,11,12,14,15)
82-28-0	1-Amino-2-methylanthraquinone	237.2574	C15H11NO2	O=C1C2=C(C(=CC=C2C(=O)C3=C1C=CC=C3)C)N	InChI=1/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3
3775-55-1	2-Amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole	196.122	C6H4N4O4	O1C(=NN=C1C2OC(=CC=2)[N+](=O)[O-])N	InChI=1/C6H4N4O4/c7-6-9-8-5(14-6)3-1-2-4(13-3)10(11)12/h1-2H,(H2,7,9)
712-68-5	2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole	212.1826	C6H4N4O3S	NC1=NN=C(C2=CC=C([N+]([O-])=O)O2)S1	InChI=1/C6H4N4O3S/c7-6-9-8-5(14-6)3-1-2-4(13-3)10(11)12/h1-2H,(H2,7,9)
38514-71-5	2-Amino-4-(5-nitro-2-furyl)thiazole	211.1948	C7H5N3O3S	NC1=NC(C2=CC=C([N+]([O-])=O)O2)=CS1	InChI=1/C7H5N3O3S/c8-7-9-4(3-14-7)5-1-2-6(13-5)10(11)12/h1-3H,(H2,8,9)
28754-68-9	trans-5-Amino-3[2-(5-nitro-2-furyl)vinyl]-1,2,4-oxadiazole	222.1598	C8H6N4O4	NC1=NC(/C=C/C2=CC=C([N+]([O-])=O)O2)=NO1	InChI=1/C8H6N4O4/c9-8-10-6(11-16-8)3-1-5-2-4-7(15-5)12(13)14/h1-4H,(H2,9,10,11)/b3-1+
99-57-0	2-Amino-4-nitrophenol	154.125	C6H6N2O3	O=[N+](C1=CC(=C(C=C1)O)N)[O-]	InChI=1/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2
121-88-0	2-Amino-5-nitrophenol	154.125	C6H6N2O3	O=[N+](C1=CC(=C(C=C1)N)O)[O-]	InChI=1/C6H6N2O3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H,7H2
119-34-6	4-Amino-2-nitrophenol	154.125	C6H6N2O3	OC1=C(C=C(C=C1)N)[N+](=O)[O-]	InChI=1/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2
2104-09-8	2-Amino-4-(p-nitrophenyl)thiazole	221.2332	C9H7N3O2S	NC1=NC(C2=CC=C([N+]([O-])=O)C=C2)=CS1	InChI=1/C9H7N3O2S/c10-9-11-8(5-15-9)6-1-3-7(4-2-6)12(13)14/h1-5H,(H2,10,11)
121-66-4	2-Amino-5-nitrothiazole	145.1356	C3H3N3O2S	O=[N+](C1=CN=C(S1)N)[O-]	InChI=1/C3H3N3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H2,4,5)
18968-99-5	2-Amino-5-phenyl-2-oxazolin-4-one + Mg(OH)2 	234.494	C9H10MgN2O4	NC1=NC(C(C2=CC=CC=C2)O1)=O.O[Mg]O	InChI=1/C9H8N2O2.Mg.2H2O/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6;;;/h1-5,7H,(H2,10,11,12);;2*1H2/q;+2;;/p-2
117-79-3	2-Aminoanthraquinone	223.2306	C14H9NO2	O=C1C2=CC(=CC=C2C(=O)C3=C1C=CC=C3)N	InChI=1/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
97-56-3	o-Aminoazotoluene	225.2926	C14H15N3	CC1=C(C=CC=C1)/N=N/C2=CC(=C(C=C2)N)C	InChI=1/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3/b17-16+
60-32-2	6-Aminocaproic acid	131.1742	C6H13NO2	OC(=O)CCCCCN	InChI=1/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
92-67-1	4-Aminodiphenyl	169.2256	C12H11N	NC1=CC=C(C=C1)C2=CC=CC=C2	InChI=1/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2
2113-61-3	4-Aminodiphenyl.HCl	205.6865	C12H12ClN	NC1(=CC=C(C=C1)C2=CC=CC=C2).[H]Cl	InChI=1/C12H11N.ClH/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,13H2;1H
3693-22-9	2-Aminodiphenylene oxide	183.2092	C12H9NO	NC3=CC1=C(C=C3)OC2=C1C=CC=C2	InChI=1/C12H9NO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H,13H2
60142-96-3	1-(Aminomethyl)cyclohexaneacetic acid	171.2388	C9H17NO2	NCC1(CC(=O)O)CCCCC1	InChI=1/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
54381-16-7	2,2«-[(4-Aminophenyl)imino]bisethanol sulfate	294.3247	C10H18N2O6S	OS(O)(=O)=O.OCCN(CCO)c1ccc(N)cc1	InChI=1/C10H16N2O2.H2O4S/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14;1-5(2,3)4/h1-4,13-14H,5-8,11H2;(H2,1,2,3,4)
61-82-5	3-Aminotriazole	84.0804	C2H4N4	C1(N=CNN=1)N	InChI=1/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
2432-99-7	11-Aminoundecanoic acid	201.3082	C11H23NO2	OC(=O)CCCCCCCCCCN	InChI=1/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)
12125-02-9	Ammonium chloride	53.4913	ClH4N	[H][N+]([H])([H])[H].[Cl-]	InChI=1/ClH.H3N/h1H;1H3
3012-65-5	Ammonium citrate	226.1858	C6H14N2O7	C(CC([O-])=O)(CC(O)=O)(C([O-])=O)O.[N+].[N+]	InChI=1/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3
1336-21-6	Ammonium hydroxide	35.0456	H5NO	[N+].[O-]	InChI=1/H3N.H2O/h1H3;1H2
57-43-2	Amobarbital	226.2748	C11H18N2O3	O=C1C(C(=O)NC(=O)N1)(CCC(C)C)CC	InChI=1/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
60-13-9	dl-Amphetamine sulfate	368.4902	C18H28N2O4S	O=S(O)(O)=O.C1(=CC=CC=C1CC(N)C).C2=CC=CC=C2CC(N)C	InChI=1/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)
7177-48-2	Ampicillin trihydrate	403.4494	C16H25N3O7S	[H]O[H].[H]O[H].[H]O[H].N12[C@@]([C@@](C1=O)(NC([C@@H](C3=CC=CC=C3)N)=O)[H])(SC([C@@H]2C(O)=O)(C)C)[H]	InChI=1/C16H19N3O4S.3H2O/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;;;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
10589-74-9	1-Amyl-1-nitrosourea	159.1876	C6H13N3O2	O=C(N(CCCCC)N=O)N	InChI=1/C6H13N3O2/c1-2-3-4-5-9(8-11)6(7)10/h2-5H2,1H3,(H2,7,10)
9047-13-6	Amylopectin sulfate				
104-46-1	Anethole	148.2042	C10H12O	CC=CC1=CC=C(C=C1)OC	InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3-
4180-23-8	trans-Anethole	148.2042	C10H12O	C/C=C/C1=CC=C(C=C1)OC	InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
15879-93-3	Anhydroglucochloral	309.52834	C8H11Cl3O6	ClC(Cl)(Cl)[C@H]1O[C@@H]2[C@@H](O)[C@H](O[C@@H]2O1)[C@H](O)CO	InChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7+/m1/s1
101-05-3	Anilazine	275.5243	C9H5Cl3N4	ClC1=NC(=NC(=N1)NC2=CC=CC=C2Cl)Cl	InChI=1/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
62-53-3	Aniline	93.128	C6H7N	NC1=CC=CC=C1	InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
142-04-1	Aniline.HCl	129.5889	C6H8ClN	NC1=CC=CC=C1.[HCl]	InChI=1/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
134-29-2	o-Anisidine.HCl	159.6151	C7H10ClNO	C1(=C(C=CC=C1)N)OC.[H]Cl	InChI=1/C7H9NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H
20265-97-8	p-Anisidine.HCl	159.6151	C7H10ClNO	C1(=CC=C(N)C=C1)OC.[H]Cl	InChI=1/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
118-92-3	Anthranilic acid	137.1378	C7H7NO2	NC1=C(C=CC=C1)C(=O)O	InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
84-65-1	9,10-Anthraquinone	208.216	C14H8O2	O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3	InChI=1/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
28300-74-5	Antimony potassium tartrate	667.8726	C8H10K2O15Sb2+2	[K+].[K+].[O-]C(=O)C2O[Sb]3OC(C(O[Sb]1OC(=O)C2O1)C([O-])=O)C(=O)O3.O.O.O	InChI=1/2C4H4O6.2K.3H2O.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;;;;/h2*1-2H,(H,7,8)(H,9,10);;;3*1H2;;/q2*-2;2*+1;;;;2*+3/p-4
140-57-8	Aramite	334.8573	C15H23ClO4S	CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl	InChI=1/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3
61-94-9	Arecoline.HCl	191.6571	C8H14ClNO2	O=C(OC)C1=CCCN(C)C1.[H]Cl	InChI=1/C8H13NO2.ClH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H
10190-99-5	Aristolochic acid, sodium salt (77% AA I, 21% AA II)				
11097-69-1	Aroclor 1254				
11096-82-5	Aroclor 1260				
7631-89-2	Arsenate, sodium	163.92477	AsH2NaO4	O=[As](O)(O)[O-].[Na+]	InChI=1/AsH3O4.Na/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+1/p-1
1327-53-3	Arsenious oxide	395.6828	As4O6	[As]21O[As]3O[As](O1)O[As](O2)O3	InChI=1/As4O6/c5-1-6-3-8-2(5)9-4(7-1)10-3
7784-46-5	Arsenite, sodium	129.91017	AsNaO2	[Na+].[As](=O)[O-]	InChI=1/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
134-03-2	l-Ascorbate, sodium	198.106	C6H7NaO6	[O-]C([C@H]([C@H](O)CO)O1)=C(O)C1=O.[Na+]	InChI=1/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2?,5-;/m0./s1
50-81-7	l-Ascorbic acid	176.1241	C6H8O6	OC([C@H]([C@H](O)CO)O1)=C(O)C1=O	InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m0/s1
22839-47-0	Aspartame	294.3066	C14H18N2O5	O=C([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N)OC	InChI=1/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
50-78-2	Aspirin	180.1598	C9H8O4	OC(=O)C1=C(C=CC=C1)OC(=O)C	InChI=1/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
8003-03-0	Asprin, Phenacetin, and Caffeine				
68844-77-9	Astemizole	458.5703	C28H31FN4O	Fc1ccc(cc1)Cn4c5ccccc5nc4NC3CCN(CCc2ccc(OC)cc2)CC3	InChI=1/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
51706-40-2	dl-Atenolol.HCl	302.8003	C14H23ClN2O3	CC(C)NCC(O)COC1(=CC=C(C=C1)CC(=O)N).[H]Cl	InChI=1/C14H22N2O3.ClH/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18;/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18);1H
1912-24-9	Atrazine	215.6851	C8H14ClN5	ClC1=NC(=NC(=N1)NC(C)C)NCC	InChI=1/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
51-55-8	Atropine	289.3736	C17H23NO3	CN3[C@@H]1CC[C@H]3C[C@H](C1)OC(=O)C(CO)c2ccccc2	InChI=1/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
2465-27-2	Auramine-O	303.8339	C17H22ClN3	N=C(C2=CC=C(N(C)C)C=C2)C1=CC=C(N(C)C)C=C1.[H]Cl	InChI=1/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
34031-32-8	Auranofin	678.48346	C20H34AuO9PS	CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)COC(=O)C)S[Au]=P(CC)(CC)CC)OC(=O)C	InChI=1/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m0../s1
320-67-2	5-Azacytidine	244.2066	C8H12N4O5	N/C1=N/C(=O)N(/C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O	InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
3131-60-0	6-Azacytidine	244.2066	C8H12N4O5	O[C@H]([C@@H]2O)[C@@H](O[C@@H]2CO)N(N=CC(N)=N1)C1=O	InChI=1/C8H12N4O5/c9-4-1-10-12(8(16)11-4)7-6(15)5(14)3(2-13)17-7/h1,3,5-7,13-15H,2H2,(H2,9,11,16)/t3-,5-,6-,7-/m1/s1
115-02-6	Azaserine	173.128	C5H7N3O4	O=C(OC[C@@H](C(=O)O)N)C=[N+]=[N-]	InChI=1/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1
446-86-6	Azathioprine	277.26	C9H7N7O2S	CN1C(=C(N=C1)[N+](=O)[O-])SC2=NC=NC3=C2N=CN3	InChI=1/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
123524-52-7	Azelnidipine	582.6462	C33H34N4O6	[O-][N+](C1=CC=CC(C2C(C(OC3CN(C(C5=CC=CC=C5)C4=CC=CC=C4)C3)=O)=C(NC(C)=C2C(OC(C)C)=O)N)=C1)=O	InChI=1/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
26628-22-8	Azide, sodium	65.0099	N3Na	[Na+].[N-]=[N+]=[N-]	InChI=1/N3.Na/c1-3-2;/q-1;+1
86-50-0	Azinphosmethyl	317.31686	C10H12N3O3PS2	O=C1C2=C(C=CC=C2)N=NN1CSP(=S)(OC)OC	InChI=1/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3
103-33-3	Azobenzene	182.2244	C12H10N2	C1(/N=N/C2=CC=CC=C2)=CC=CC=C1	InChI=1/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H/b14-13+
25843-45-2	Azoxymethane	74.0822	C2H6N2O	C[N+](=NC)[O-]	InChI=1/C2H6N2O/c1-3-4(2)5/h1-2H3/b4-3-
17697-55-1	1-Azoxypropane	130.1894	C6H14N2O	[N+](=N/CCC)(/CCC)[O-]	InChI=1/C6H14N2O/c1-3-5-7-8(9)6-4-2/h3-6H2,1-2H3/b8-7+
NOCAS	2-Azoxypropane	130.1894	C6H14N2O	[N+](=N\C(C)C)(/C(C)C)[O-]	InChI=1/C6H14N2O/c1-5(2)7-8(9)6(3)4/h5-6H,1-4H3/b8-7-
30516-87-1	AZT	267.2413	C10H13N5O4	C\C1=C\N(C(=O)NC1=O)[C@H]2C[C@H](/N=[N+]=[N-])[C@@H](CO)O2	InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
144-02-5	Barbital, sodium	206.17627	C8H11N2NaO3	C1(C(N\C(=N/C1=O)[O-])=O)(CC)CC.[Na+]	InChI=1/C8H12N2O3.Na/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);/q;+1/p-1
67-52-7	Barbituric acid	128.0872	C4H4N2O3	O=C1CC(=O)NC(=O)N1	InChI=1/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
543-80-6	Barium acetate	255.419	C4H6BaO4	CC(=O)[O-].[O-]C(=O)C.[Ba+2]	InChI=1/2C2H4O2.Ba/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
10326-27-9	Barium chloride dihydrate	244.2664	BaCl2H4O2	[Cl-].[Ba+2].[Cl-].O.O	InChI=1/Ba.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
88133-11-3	Bemitradine	283.3284	C15H17N5O	NC2=NC(C3=CC=CC=C3)=C(CCOCC)C1=NC=NN12	InChI=1/C15H17N5O/c1-2-21-9-8-12-13(11-6-4-3-5-7-11)19-15(16)20-14(12)17-10-18-20/h3-7,10H,2,8-9H2,1H3,(H2,16,19)
64896-26-0	Benzalazine	286.2434	C14H10N2O5	O=C(C1=CC(=CC=C1O)/N=N/C2=CC=C(C=C2)C(=O)O)O	InChI=1/C14H10N2O5/c17-12-6-5-10(7-11(12)14(20)21)16-15-9-3-1-8(2-4-9)13(18)19/h1-7,17H,(H,18,19)(H,20,21)/b16-15+
100-52-7	Benzaldehyde	106.1238	C7H6O	O=CC1=CC=CC=C1	InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
71-43-2	Benzene	78.1134	C6H6	C1=CC=CC=C1	InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H
5351-65-5	Benzenesulphonohydrazide	231.287	C7H9N3O2S2	S(NNC(N)=S)(=O)(=O)C1=CC=CC=C1	InChI=1/C7H9N3O2S2/c8-7(13)9-10-14(11,12)6-4-2-1-3-5-6/h1-5,10H,(H3,8,9,13)
92-87-5	Benzidine	184.2402	C12H12N2	NC1=CC=C(C2=CC=C(N)C=C2)C=C1	InChI=1/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
531-85-1	Benzidine.2HCl	257.162	C12H14Cl2N2	C1(C2=CC=C(C=C2)N)=CC=C(C=C1)N.[HCl].[HCl]	InChI=1/C12H12N2.2ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;/h1-8H,13-14H2;2*1H
50-32-8	Benzo(a)pyrene	252.3148	C20H12	C1=CC2=CC=CC3=CC=C4C(=C23)C1=C5C(=C4)C=CC=C5	InChI=1/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
532-32-1	Benzoate, sodium	144.10507	C7H5NaO2	C1(=CC=CC=C1)C(=O)[O-].[Na+]	InChI=1/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
271-89-6	Benzofuran	118.1348	C8H6O	C1=COC2=C1C=CC=C2	InChI=1/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
91-76-9	Benzoguanamine	187.2036	C9H9N5	NC1=NC(=NC(=N1)N)C2=CC=CC=C2	InChI=1/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
65-85-0	Benzoic acid	122.1232	C7H6O2	OC(=O)C1=CC=CC=C1	InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
119-53-9	Benzoin	212.2476	C14H12O2	C1=CC=CC(=C1)C(C(C2=CC=CC=C2)=O)O	InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
106-51-4	1,4-Benzoquinone	108.0964	C6H4O2	O=C1C=CC(=O)C=C1	InChI=1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
120-78-5	Benzothiazyl disulfide	332.4706	C14H8N2S4	N1=C(SSC2=NC3=C(C=CC=C3)S2)SC4=C1C=CC=C4	InChI=1/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H
95-14-7	1H-Benzotriazole	119.1256	C6H5N3	N1C2=C(C=CC=C2)N=N1	InChI=1/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
98-07-7	Benzotrichloride	195.4755	C7H5Cl3	ClC(C1=CC=CC=C1)(Cl)Cl	InChI=1/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
613-94-5	Benzoyl hydrazine	136.153	C7H8N2O	O=C(C1=CC=CC=C1)NN	InChI=1/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
111011-76-8	Efonidipine.HCl ethanolate	714.1846	C36H45ClN3O8P	Cl.O=P1(OCC(C)(C)CO1)C\4=C(/C)NC(/C)=C(/C(=O)OCCN(Cc2ccccc2)c3ccccc3)C/4c5cccc(c5)[N+]([O-])=O.CCO	InChI=1/C34H38N3O7P.C2H6O.ClH/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45;1-2-3;/h5-17,20,31,35H,18-19,21-23H2,1-4H3;3H,2H2,1H3;1H
140-11-4	Benzyl acetate	150.1768	C9H10O2	CC(=O)OCC1=CC=CC=C1	InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
100-51-6	Benzyl alcohol	108.1396	C7H8O	OCC1=CC=CC=C1	InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
100-44-7	Benzyl chloride	126.5853	C7H7Cl	ClCC1=CC=CC=C1	InChI=1/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
120-32-1	o-Benzyl-p-chlorophenol	218.6823	C13H11ClO	OC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2	InChI=1/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
622-78-6	Benzyl isothiocyanate	149.21	C8H7NS	S=C=NCC1=CC=CC=C1	InChI=1/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
3012-37-1	Benzyl thiocyanate	149.21	C8H7NS	N#CSCC1=CC=CC=C1	InChI=1/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
20570-96-1	Benzylhydrazine.2HCl	195.0912	C7H12Cl2N2	C1(=CC=CC=C1)CNN.[H]Cl.[H]Cl	InChI=1/C7H10N2.2ClH/c8-9-6-7-4-2-1-3-5-7;;/h1-5,9H,6,8H2;2*1H
14504-15-5	3-Benzylsydnone-4-acetamide	233.2233	C11H11N3O3	NC(=O)Cc2c([O-])on[n+]2Cc1ccccc1	InChI=1/C11H11N3O3/c12-10(15)6-9-11(16)17-13-14(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2-,12,13,15,16)
13510-49-1	Beryllium sulfate	105.06978	BeO4S	[Be+2].O=S(=O)([O-])[O-]	InChI=1/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
82657-04-3	Bifenthrin	422.8678	C23H22ClF3O2	O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F	InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-
92-52-4	Biphenyl	154.211	C12H10	C1=C(C=CC=C1)C2=CC=CC=C2	InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
79520-77-7	5,5«-(1,1«-Biphenyl)-2,5-dylbis(oxy)(2,2-dimethylpentanoic acid)	442.5446	C26H34O6	OC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(O)=O)c(c1)c2ccccc2	InChI=1/C26H34O6/c1-25(2,23(27)28)14-8-16-31-20-12-13-22(21(18-20)19-10-6-5-7-11-19)32-17-9-15-26(3,4)24(29)30/h5-7,10-13,18H,8-9,14-17H2,1-4H3,(H,27,28)(H,29,30)
2185-92-4	2-Biphenylamine.HCl	205.6865	C12H12ClN	C1(C2=C(C=CC=C2)N)(=CC=CC=C1).[H]Cl	InChI=1/C12H11N.ClH/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,13H2;1H
3296-90-0	2,2-Bis(bromomethyl)-1,3-propanediol, technical grade	261.9408	C5H10Br2O2	OCC(CO)(CBr)CBr	InChI=1/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
6731-36-8	1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane	302.4532	C17H34O4	C1C(CC(CC1(OOC(C)(C)C)OOC(C)(C)C)(C)C)C	InChI=1/C17H34O4/c1-13-10-16(8,9)12-17(11-13,20-18-14(2,3)4)21-19-15(5,6)7/h13H,10-12H2,1-9H3
56-35-9	Bis(tri-n-butyltin)oxide, technical grade	596.07	C24H54OSn2	CCCC[Sn](O[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC	InChI=1/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;
108-60-1	Bis(2-chloro-1-methylethyl)ether, technical grade	171.0662	C6H12Cl2O	CC(OC(C)(C)Cl)(C)Cl	InChI=1/C6H12Cl2O/c1-5(2,7)9-6(3,4)8/h1-4H3
111-44-4	Bis-2-chloroethylether	143.0126	C4H8Cl2O	ClCCOCCCl	InChI=1/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
13483-19-7	Bis-1,4-(chloromethoxy)butane	187.0656	C6H12Cl2O2	C(CCOCCl)COCCl	InChI=1/C6H12Cl2O2/c7-5-9-3-1-2-4-10-6-8/h1-6H2
13483-18-6	Bis-1,2-(chloromethoxy)ethane	159.012	C4H8Cl2O2	C(COCCl)OCCl	InChI=1/C4H8Cl2O2/c5-3-7-1-2-8-4-6/h1-4H2
56894-92-9	Bis-1,6-(chloromethoxy)hexane	215.1192	C8H16Cl2O2	C(CCCCCOCCl)OCCl	InChI=1/C8H16Cl2O2/c9-7-11-5-3-1-2-4-6-12-8-10/h1-8H2
56894-91-8	Bis-1,4-(chloromethoxy)-p-xylene	235.1096	C10H12Cl2O2	C1=CC(=CC=C1COCCl)COCCl	InChI=1/C10H12Cl2O2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-8H2
542-88-1	Bis-(chloromethyl)ether	114.959	C2H4Cl2O	ClCOCCl	InChI=1/C2H4Cl2O/c3-1-5-2-4/h1-2H2
36711-31-6	Bis(2,3-dibromopropyl)phosphate, magnesium salt   	1017.76972	C12H20Br8MgO8P2	O=P(OCC(CBr)Br)([O-])OCC(CBr)Br.O=P(OCC(CBr)Br)([O-])OCC(CBr)Br.[Mg+2]	InChI=1/2C6H11Br4O4P.Mg/c2*7-1-5(9)3-13-15(11,12)14-4-6(10)2-8;/h2*5-6H,1-4H2,(H,11,12);/q;;+2/p-2
76150-91-9	1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene	402.0589	C16H8Cl4N2O2	Clc3cc(Cl)cnc3Oc1ccc(cc1)Oc2ncc(Cl)cc2Cl	InChI=1/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
33372-39-3	4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline	360.3868	C16H16N4O4S	C1=CC=C2C(=C1)N=C(N=C2N(CCO)CCO)C3=CC=C(S3)[N+]([O-])=O	InChI=1/C16H16N4O4S/c21-9-7-19(8-10-22)16-11-3-1-2-4-12(11)17-15(18-16)13-5-6-14(25-13)20(23)24/h1-6,21-22H,7-10H2
58139-47-2	4-Bis(2-hydroxyethyl)amino-2-(2-thienyl)quinazoline	315.3892	C16H17N3O2S	N1C(=NC(=C2C=CC=CC=12)N(CCO)CCO)C3=CC=CS3	InChI=1/C16H17N3O2S/c20-9-7-19(8-10-21)16-12-4-1-2-5-13(12)17-15(18-16)14-6-3-11-22-14/h1-6,11,20-21H,7-10H2
23746-34-1	Bis-2-hydroxyethyldithiocarbamic acid, potassium	219.3495	C5H10KNO2S2	S=C(N(CCO)CCO)[S-].[K+]	InChI=1/C5H11NO2S2.K/c7-3-1-6(2-4-8)5(9)10;/h7-8H,1-4H2,(H,9,10);/q;+1/p-1
110-97-4	Bis(2-hydroxypropyl)amine	133.19	C6H15NO2	CC(CNCC(C)O)O	InChI=1/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3
21260-46-8	Bismuth dimethyldithiocarbamate	569.6017	C9H18BiN3S6	S=C(N(C)C)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C	InChI=1/3C3H7NS2.Bi/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
7787-59-9	Bismuth oxychloride	260.4328	BiClO	O=[Bi]Cl	InChI=1/Bi.ClH.O/h;1H;/q+1;;/p-1
80-05-7	Bisphenol A	228.2902	C15H16O2	C[C@](C)(c1ccc(O)cc1)c2ccc(O)cc2	InChI=1/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
2519-30-4	Black PN	867.66648	C28H17N5Na4O14S4	C12C(=C(C=CC=1NC(C)=O)S(=O)(=O)[O-])C=C(C(=C2O)/N=N/C3=C4C(=C(C=C3)/N=N\C5=CC=C(C=C5)S(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]	InChI=1/C28H21N5O14S4.4Na/c1-14(34)29-2
1937-37-7	C.I. direct black 38	781.72714	C34H25N9Na2O7S2	C12C(=CC(=C(C=1N)/N=N/C3=CC=C(C=C3)C4=CC=C(C=C4)/N=N/C5=C(C=C(C=C5)N)N)S(=O)(=O)[O-])C=C(C(=C2O)/N=N/C6=CC=CC=C6)S(=O)(=O)[O-].[Na+].[Na+]	InChI=1/C34H27N9
2602-46-2	C.I. direct blue 6	932.74088	C32H20N6Na4O14S4	C12C(=C(C(=C(C=1)S(=O)(=O)[O-])/N=N/C3=CC=C(C=C3)C4=CC=C(C=C4)/N=N/C5=C(C=C6C(=C5O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-])O)C(=CC(=C2)S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[Na+]	InChI=1/C32H24N6O14S4.4Na/c33-23-13-21(53(41,42)43)9-17
2429-74-5	C.I. direct blue 15	992.79328	C34H24N6Na4O16S4	C12C(=CC(=C(C=1O)/N=N/C3=C(C=C(C=C3)C4=CC(=C(C=C4)/N=N/C5=C(C=C6C(=C5O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-])OC)OC)S(=O)(=O)[O-])C=C(C=C2N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]	InChI=1/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51
28407-37-6	C.I. direct blue 218	964.73968	C32H20N6Na4O16S4	C12=C(C=C(C(=C1O)/N=N/C3=CC=C(C=C3O)C4=CC=C(\N=N/C5=C(C=C6C(=C5O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-])C(=C4)O)S(=O)(=O)[O-])C=C(C=C2N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]	InChI=1/C32H24N6O16S4.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(
2475-45-8	C.I. disperse blue 1	268.2744	C14H12N4O2	O=C1C2=C(C(=CC=C2N)N)C(=O)C3=C(C=CC(=C13)N)N	InChI=1/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2
3844-45-9	FD & C blue no. 1	815.8376	C37H34N2Na3O9S3	O=S(=O)(C1=C(C=CC=C1)/C(=C2\C=C/C(=[N+](/CC3=CC(=CC=C3)S(=O)(=O)[O-])CC)C=C2)C4=CC=C(C=C4)N(CC5=CC(=CC=C5)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	I
860-22-0	FD & C blue no. 2	466.34734	C16H8N2Na2O8S2	C1(=C2/C(C3=CC(S(=O)(=O)[O-])=CC=C3N2)=O)/C(C4=CC(S(=O)(=O)[O-])=CC=C4N1)=O.[Na+].[Na+]	InChI=1/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;;
2784-94-3	HC blue no. 1	255.273	C11H17N3O4	C1(=C(C=CC(=C1)N(CCO)CCO)NC)[N+]([O-])=O	InChI=1/C11H17N3O4/c1-12-10-3-2-9(8-11(10)14(17)18)13(4-6-15)5-7-16/h2-3,8,12,15-16H,4-7H2,1H3
2784-94-3	HC blue no. 1 (purified)	255.273	C11H17N3O4	C1(=C(C=CC(=C1)N(CCO)CCO)NC)[N+]([O-])=O	InChI=1/C11H17N3O4/c1-12-10-3-2-9(8-11(10)14(17)18)13(4-6-15)5-7-16/h2-3,8,12,15-16H,4-7H2,1H3
33229-34-4	HC blue no. 2	285.2992	C12H19N3O5	C1(=C(C=CC(=C1)N(CCO)CCO)NCCO)[N+]([O-])=O	InChI=1/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2
10043-35-3	Boric acid	61.8319	BH3O3	OB(O)O	InChI=1/BH3O3/c2-1(3)4/h2-4H
7758-01-2	Bromate, potassium	166.9922	BrKO3	Br(=O)(=O)[O-].[K+]	InChI=1/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
17157-48-1	Bromoacetaldehyde	122.9491	C2H3BrO	O=CCBr	InChI=1/C2H3BrO/c3-1-2-4/h2H,1H2
22260-51-1	Bromocriptine mesylate	750.7033	C33H44BrN5O8S	N12([C@]([C@]3(N(C([C@@H]1CC(C)C)=O)CCC3)[H])(O[C@](C2=O)(NC([C@@H]4C=C5C6C7C(CC5N(C4)C)=C(Br)NC=7C=CC=6)=O)C(C)C)O).O=S(=O)(C)O	InChI=1/C32H40BrN5O5.CH4O3S/c1-
75-27-4	Bromodichloromethane	163.8289	CHBrCl2	ClC(Cl)Br	InChI=1/CHBrCl2/c2-1(3)4/h1H
74-96-4	Bromoethane	108.9655	C2H5Br	CCBr	InChI=1/C2H5Br/c1-2-3/h2H2,1H3
540-51-2	Bromoethanol	124.9649	C2H5BrO	OCCBr	InChI=1/C2H5BrO/c3-1-2-4/h4H,1-2H2
16071-86-6	C.I. direct brown 95	760.10354	C31H18CuN6Na2O9S	C1(=CC(=CC(=C1O)C(=O)[O-])N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C(=CC=C4O)/N=N/C5=C([O-])C=CC(=C5)S([O-])(=O)=O)[O-]).[Na+].[Na+].[Cu+2]	InChI=1/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4/b34-32?,36-35+,37-33?;;;
51333-22-3	Budesonide	430.54	C25H34O6	OCC(=O)[C@@]54OC(O[C@@H]5C[C@@H]1[C@]4(C)C[C@H](O)[C@@H]2[C@@]3(C)/C=C\C(=O)\C=C3\CC[C@@H]12)CCC	InChI=1/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
106-99-0	1,3-Butadiene	54.0914	C4H6	C=CC=C	InChI=1/C4H6/c1-3-4-2/h3-4H,1-2H2
75-65-0	tert-Butyl alcohol	74.1224	C4H10O	C(C)(C)(C)O	InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H3
85-68-7	Butyl benzyl phthalate	312.3646	C19H20O4	C1(=C(C=CC=C1)C(OCCCC)=O)C(OCC2=CC=CC=C2)=O	InChI=1/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
109-69-3	n-Butyl chloride	92.5681	C4H9Cl	CCCCCl	InChI=1/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
88-85-7	2-sec-Butyl-4,6-dinitrophenol	240.2152	C10H12N2O5	OC1=C(C=C(C=C1C(CC)C)[N+](=O)[O-])[N+](=O)[O-]	InChI=1/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
16120-70-0	N-n-Butyl-N-formylhydrazine	116.1626	C5H12N2O	N(N)(CCCC)C=O	InChI=1/C5H12N2O/c1-2-3-4-7(6)5-8/h5H,2-4,6H2,1H3
94-26-8	Butyl p-hydroxybenzoate	194.2298	C11H14O3	O=C(C1=CC=C(C=C1)O)OCCCC	InChI=1/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
3817-11-6	N-Butyl-N-(4-hydroxybutyl)nitrosamine	174.2424	C8H18N2O2	N(CCCCO)(CCCC)N=O	InChI=1/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3
88-26-6	di-tert-Butyl-4-hydroxymethyl phenol	236.3534	C15H24O2	OC1=C(C=C(C=C1C(C)(C)C)CO)C(C)(C)C	InChI=1/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3
2409-55-4	2-tert-Butyl-4-methylphenol	164.2468	C11H16O	CC(C1=C(C=CC(=C1)C)O)(C)C	InChI=1/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
13010-08-7	N-Butyl-N'-nitro-N-nitrosoguanidine	189.1736	C5H11N5O3	N=C(N(CCCC)N=O)N[N+](=O)[O-]	InChI=1/C5H11N5O3/c1-2-3-4-9(8-11)5(6)7-10(12)13/h2-4H2,1H3,(H2,6,7)
869-01-2	N-n-Butyl-N-nitrosourea	145.1608	C5H11N3O2	O=C(N(CCCC)N=O)N	InChI=1/C5H11N3O2/c1-2-3-4-8(7-10)5(6)9/h2-4H2,1H3,(H2,6,9)
25013-16-5	Butylated hydroxyanisole	180.2462	C11H16O2	OC1=CC=C(C=C1C(C)(C)C)OC	InChI=1/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
128-37-0	Butylated hydroxytoluene	220.354	C15H24O	OC1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C	InChI=1/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
7422-80-2	1,1-di-n-Butylhydrazine	144.2594	C8H20N2	NN(CCCC)CCCC	InChI=1/C8H20N2/c1-3-5-7-10(9)8-6-4-2/h3-9H2,1-2H3
56795-65-4	n-Butylhydrazine.HCl	124.6131	C4H13ClN2	Cl.CCCCNN	InChI=1/C4H12N2.ClH/c1-2-3-4-6-5;/h6H,2-5H2,1H3;1H
78776-28-0	1,2-di-n-Butylhydrazine.2HCl	217.1812	C8H22Cl2N2	N(NCCCC)CCCC.Cl.Cl	InChI=1/C8H20N2.2ClH/c1-3-5-7-9-10-8-6-4-2;;/h9-10H,3-8H2,1-2H3;2*1H
1948-33-0	tert-Butylhydroquinone	166.217	C10H14O2	CC(C)(C)c1cc(O)ccc1O	InChI=1/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
98-54-4	p-tert-Butylphenol	150.22	C10H14O	C(C1=CC=C(O)C=C1)(C)(C)C	InChI=1/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
592-31-4	N-Butylurea	116.1626	C5H12N2O	NC(=O)NCCCC	InChI=1/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
3068-88-0	beta-Butyrolactone	86.0902	C4H6O2	CC1CC(=O)O1	InChI=1/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
96-48-0	gamma-Butyrolactone	86.0902	C4H6O2	O=C1CCCO1	InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
543-90-8	Cadmium acetate	230.499	C4H6CdO4	[Cd+2].[O-]C(C)=O.[O-]C(C)=O	InChI=1/2C2H4O2.Cd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
10108-64-2	Cadmium chloride	183.316	CdCl2	[Cl-].[Cd+2].[Cl-]	InChI=1/Cd.2ClH/h;2*1H/q+2;;/p-2
35658-65-2	Cadmium chloride monohydrate	201.3312	CdCl2H2O	[Cd+2].[Cl-].[Cl-].[H]O[H]	InChI=1/Cd.2ClH.H2O/h;2*1H;1H2/q+2;;;/p-2
14239-68-0	Cadmium diethyldithiocarbamate	408.9314	C10H20CdN2S4	N(C([S-])=S)(CC)CC.[S-]C(N(CC)CC)=S.[Cd+2]	InChI=1/2C5H11NS2.Cd/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
10124-36-4	Cadmium sulphate (1:1)	208.4676	CdO4S	O=S(=O)([O-])[O-].[Cd+2]	InChI=1/Cd.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
7790-84-3	Cadmium sulphate (1:1) hydrate (3:8)	352.5892	CdH16O12S	[O-]S([O-])(=O)=O.[Cd+2].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H]	InChI=1/Cd.H2O4S.8H2O/c;1-5(2,3)4;;;;;;;;/h;(H2,1,2,3,4);8*1H2/q+2;;;;;;;;;/p-2
331-39-5	Caffeic acid	180.1598	C9H8O4	OC1=C(C=CC(=C1)/C=C/C(=O)O)O	InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
58-08-2	Caffeine	194.1926	C8H10N4O2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
50-14-6	Calciferol	396.655	C28H44O	O[C@@H]3C\C(=C\C=C2/CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)/C=C/[C@H](C)C(C)C)C(=C)CC3	InChI=1/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26-,27?,28+/m0/s1
62-54-4	Calcium acetate	158.169	C4H6CaO4	CC(=O)[O-].[O-]C(=O)C.[Ca+2]	InChI=1/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
10043-52-4	Calcium chloride	110.986	CaCl2	.[Cl-].[Ca+2].[Cl-]	InChI=1/Ca.2ClH/h;2*1H/q+2;;/p-2
814-80-2	Calcium lactate	218.2214	C6H10CaO6	C(C(C)O)(O[Ca]OC(C(C)O)=O)=O	InChI=1/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
33433-82-8	Calcium valproate	326.4906	C16H30CaO4	C(CCC)(CCC)C(=O)[O-].C(CCC)(CCC)C(=O)[O-].[Ca+2]	InChI=1/2C8H16O2.Ca/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
59721-29-8	Camostat mesylate	494.5184	C21H26N4O8S	O=C(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC(=N)N)OCC(=O)N(C)C.O=S(=O)(C)O	InChI=1/C20H22N4O5.CH4O3S/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22;1-5(2,3)4/h3-10H,11-12H2,1-2H3,(H4,21,22,23);1H3,(H,2,3,4)
145040-37-5	Candesartan cilexetil	610.6597	C33H34N6O6	CC(OC(=O)OC1CCCCC1)OC(=O)c5cccc6nc(OCC)n(Cc2ccc(cc2)c3ccccc3C\4=N\N=N/N/4)c56	InChI=1/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)
105-60-2	Caprolactam	113.159	C6H11NO	O=C1CCCCCN1	InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
404-86-4	Capsaicin	305.4162	C18H27NO3	OC1=C(C=C(C=C1)CNC(=O)CCCC/C=C/C(C)C)OC	InChI=1/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
2425-06-1	Captafol	349.0586	C10H9Cl4NO2S	C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)C\C=C/C2	InChI=1/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2
133-06-2	Captan	300.5867	C9H8Cl3NO2S	O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl	InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
563-41-7	Carbamyl hydrazine.HCl	111.5309	CH6ClN3O	C(NN)(N)=O.Cl	InChI=1/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H
103-03-7	1-Carbamyl-2-phenylhydrazine	151.1676	C7H9N3O	NC(=O)NNC1=CC=CC=C1	InChI=1/C7H9N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)
121-59-5	Carbarsone	260.0807	C7H9AsN2O4	O[As](=O)(C1=CC=C(C=C1)NC(=O)N)O	InChI=1/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14)
63-25-2	Carbaryl	201.2244	C12H11NO2	O=C(OC1=C2C(=CC=C1)C=CC=C2)NC	InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
86-74-8	Carbazole	167.2098	C12H9N	C12C3=C(C=CC=C3)NC1=CC=CC=2	InChI=1/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
1563-66-2	Carbofuran	221.2524	C12H15NO3	O=C(NC)OC1=CC=CC(C2)=C1OC2(C)C	InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
56-23-5	Carbon tetrachloride	153.823	CCl4	ClC(Cl)(Cl)Cl	InChI=1/CCl4/c2-1(3,4)5
60391-92-6	Carboxymethylnitrosourea	147.0902	C3H5N3O4	N(C(=O)N)(N=O)CC(=O)O	InChI=1/C3H5N3O4/c4-3(9)6(5-10)1-2(7)8/h1H2,(H2,4,9)(H,7,8)
77-65-6	Carbromal	237.0959	C7H13BrN2O2	BrC(C(=O)NC(=O)N)(CC)CC	InChI=1/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)
7235-40-7	b-Carotene	536.8726	C40H56	CC2(C)CCCC(\C)=C2\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)CCCC1(C)C	InChI=1/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
53973-98-1	Carrageenan, acid-degraded				
9000-07-1	Carrageenan, native				
2244-16-8	d-Carvone	150.22	C10H14O	O=C1C[C@H](C\C=C1\C)C(C)=C	InChI=1/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
120-80-9	Catechol	110.1122	C6H6O2	OC1=C(C=CC=C1)O	InChI=1/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
136511-29-0	Catechins, commercial mixture from green tea (91% catechins)				
56980-93-9	Celiprolol	379.4984	C20H33N3O4	C1(=C(C=CC(=C1)NC(N(CC)CC)=O)OCC(CNC(C)(C)C)O)C(C)=O	InChI=1/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
474-25-9	Chenodeoxycholic acid	392.5776	C24H40O4	OC(=O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3[C@H](O)C[C@@H]1C[C@H](O)CC[C@@]12C	InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
302-17-0	Chloral hydrate	165.4035	C2H3Cl3O2	ClC(C(O)O)(Cl)Cl	InChI=1/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
133-90-4	Chloramben	206.028	C7H5Cl2NO2	ClC1=C(C=C(C=C1C(=O)O)Cl)N	InChI=1/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)
305-03-3	Chlorambucil	304.2156	C14H19Cl2NO2	ClCCN(C1=CC=C(C=C1)CCCC(=O)O)CCCl	InChI=1/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)
NOCAS	Chloraminated water				
56-75-7	Chloramphenicol	323.1322	C11H12Cl2N2O5	O[C@@H]([C@@H](CO)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+]([O-])=O	InChI=1/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
118-75-2	Chloranil	245.8768	C6Cl4O2	O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl	InChI=1/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
12789-03-6	Chlordane, technical grade	409.7814	C10H6Cl8	C1(CC2C(C1Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl	InChI=1/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
115-28-6	Chlorendic acid	388.8462	C9H4Cl6O4	Cl[C@@]12C(C(C(=O)O)[C@](C1(Cl)Cl)(Cl)C(=C2Cl)Cl)C(=O)O	InChI=1/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)/t1?,2?,7-,8+
63449-39-8	Chlorinated paraffins (C12, 60% chlorine)				
63449-39-8	Chlorinated paraffins (C23, 43% chlorine)				
56802-99-4	Chlorinated trisodium phosphate				
NOCAS	Chlorinated water				
7782-50-5	Chlorine	70.906	Cl2	ClCl	InChI=1/Cl2/c1-2
302-22-7	Chlormadinone acetate	404.92696	C23H29ClO4	CC(=O)[C@]2(CC[C@H]3[C@@H]4/C=C(/Cl)\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C)OC(C)=O	InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
101-79-1	4-Chloro-4'-aminodiphenylether	219.6701	C12H10ClNO	NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl	InChI=1/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
77439-76-0	3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	217.4345	C5H3Cl3O3	O=C1OC(O)C(C(Cl)Cl)=C1Cl	InChI=1/C5H3Cl3O3/c6-2-1(3(7)8)4(9)11-5(2)10/h3-4,9H
37087-94-8	2-Chloro-5-(3,5-dimethylpiperidinosulphonyl)benzoic acid	331.8135	C14H18ClNO4S	C1=C(C=CC(=C1C(=O)O)Cl)S(N2CC(CC(C2)C)C)(=O)=O	InChI=1/C14H18ClNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)11-3-4-13(15)12(6-11)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)
97-00-7	1-Chloro-2,4-dinitrobenzene	202.5537	C6H3ClN2O4	ClC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]	InChI=1/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
563-47-3	3-Chloro-2-methylpropene, technical grade (containing 5% dimethylvinyl  chloride)	90.5523	C4H7Cl	CC(=C)CCl	InChI=1/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
88-73-3	1-Chloro-2-nitrobenzene	157.5561	C6H4ClNO2	ClC1=C(C=CC=C1)[N+](=O)[O-]	InChI=1/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
100-00-5	1-Chloro-4-nitrobenzene	157.5561	C6H4ClNO2	O=[N+](C1=CC=C(C=C1)Cl)[O-]	InChI=1/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
5131-60-2	4-Chloro-m-phenylenediamine	142.5877	C6H7ClN2	NC1=C(C=CC(=C1)N)Cl	InChI=1/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2
95-83-0	4-Chloro-o-phenylenediamine	142.5877	C6H7ClN2	NC1=C(C=CC(=C1)Cl)N	InChI=1/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
61702-44-1	2-Chloro-p-phenylenediamine sulfate	240.6611	C6H9ClN2O4S	Nc1cc(Cl)c(N)cc1.OS(O)(=O)=O	InChI=1/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)
127-00-4	1-Chloro-2-propanol, technical grade (~75% 1-chloro-2-propanol; ~25% 2-chloro-1-propanol)				
95-74-9	3-Chloro-p-toluidine	141.5999	C7H8ClN	ClC1=C(C=CC(=C1)N)C	InChI=1/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
95-79-4	5-Chloro-o-toluidine	141.5999	C7H8ClN	NC1=CC(=CC=C1C)Cl	InChI=1/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
3165-93-3	4-Chloro-o-toluidine.HCl	178.0608	C7H9Cl2N	C1(=C(C=CC(=C1)Cl)N)C.[H]Cl	InChI=1/C7H8ClN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H
75-88-7	2-Chloro-1,1,1-trifluoroethane	118.486	C2H2ClF3	C(CCl)(F)(F)F	InChI=1/C2H2ClF3/c3-1-2(4,5)6/h1H2
50892-23-4	[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid	323.7965	C14H14ClN3O2S	ClC1=CC(=NC(=N1)SCC(=O)O)NC2=CC=CC(=C2C)C	InChI=1/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
65089-17-0	4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio(N-beta-hydroxyethyl)acetamide	335.8507	C16H18ClN3OS	C1(=CC(=NC(=N1)CC(NCCO)=S)Cl)C2=CC=CC(=C2C)C	InChI=1/C16H18ClN3OS/c1-10-4-3-5-12(11(10)2)13-8-14(17)20-15(19-13)9-16(22)18-6-7-21/h3-5,8,21H,6-7,9H2,1-2H3,(H,18,22)
107-20-0	Chloroacetaldehyde	78.4981	C2H3ClO	O=CCCl	InChI=1/C2H3ClO/c3-1-2-4/h2H,1H2
532-27-4	2-Chloroacetophenone	154.5957	C8H7ClO	O=C(C1=CC=CC=C1)CCl	InChI=1/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
140-49-8	4'-(Chloroacetyl)-acetanilide	211.6475	C10H10ClNO2	ClCC(=O)C1=CC=C(NC(=O)C)C=C1	InChI=1/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)
106-47-8	p-Chloroaniline	127.5731	C6H6ClN	NC1=CC=C(C=C1)Cl	InChI=1/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
20265-96-7	p-Chloroaniline.HCl	164.034	C6H7Cl2N	C1(=CC=C(Cl)C=C1)N.[H]Cl	InChI=1/C6H6ClN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
2698-41-1	o-Chlorobenzalmalonitrile	188.6159	C10H5ClN2	ClC1=CC=CC=C1C=C(C#N)C#N	InChI=1/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
108-90-7	Chlorobenzene	112.5585	C6H5Cl	ClC1=CC=CC=C1	InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
510-15-6	Chlorobenzilate	325.1908	C16H14Cl2O3	OC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C(=O)OCC	InChI=1/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3
124-48-1	Chlorodibromomethane	208.2799	CHBr2Cl	ClC(Br)Br	InChI=1/CHBr2Cl/c2-1(3)4/h1H
75-45-6	Chlorodifluoromethane	86.4687	CHClF2	FC(F)Cl	InChI=1/CHClF2/c2-1(3)4/h1H
75-00-3	Chloroethane	64.5145	C2H5Cl	CCCl	InChI=1/C2H5Cl/c1-2-3/h2H2,1H3
999-81-5	(2-Chloroethyl)trimethylammonium chloride	158.0704	C5H13Cl2N	C([N+](C)(C)C)CCl.[Cl-]	InChI=1/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
NOCAS	1-Chloroethylnitroso-3-(2-hydroxypropyl) urea	209.6321	C6H12ClN3O3	N(C(=O)NCC(C)O)(N=O)C(C)Cl	InChI=1/C6H12ClN3O3/c1-4(11)3-8-6(12)10(9-13)5(2)7/h4-5,11H,3H2,1-2H3,(H,8,12)
593-70-4	Chlorofluoromethane	68.4782	CH2ClF	FCCl	InChI=1/CH2ClF/c2-1-3/h1H2
67-66-3	Chloroform	119.3779	CHCl3	ClC(Cl)Cl	InChI=1/CHCl3/c2-1(3)4/h1H
107-30-2	Chloromethyl methyl ether	80.5139	C2H5ClO	ClCOC	InChI=1/C2H5ClO/c1-4-2-3/h2H2,1H3
6959-47-3	2-(Chloromethyl)pyridine.HCl	164.034	C6H7Cl2N	C1(C=CC=CN=1)CCl.Cl	InChI=1/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H
6959-48-4	3-(Chloromethyl)pyridine.HCl	164.034	C6H7Cl2N	C1(=CC=CN=C1)CCl.[HCl]	InChI=1/C6H6ClN.ClH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H
80-33-1	p-Chlorophenyl-p-chlorobenzene sulfonate	303.1594	C12H8Cl2O3S	O=S(=O)(C1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl	InChI=1/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
150-68-5	3-(p-Chlorophenyl)-1,1-dimethylurea	198.6517	C9H11ClN2O	O=C(N(C)C)NC1=CC=C(C=C1)Cl	InChI=1/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
117279-73-9	(+-)-4-(2-chlorophenyl)-2-[2-(4-isobutylphenyl)ethyl]-6,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine	489.0747	C28H29ClN4S	ClC4=C(C=CC=C4)C2=NC(C)C1=NN=C(C)N1C3=C2C=C(CCC5=CC=C(CC(C)C)C=C5)S3	InChI=1/C28H29ClN4S/c1-17(2)15-21-11-9-20(10-12-21)13-14-22-16-24-26(23-7-5-6-8-25(23)29)30-18(3)27-32-31-19(4)33(27)28(24)34-22/h5-12,16-18H,13-15H2,1-4H3
10473-70-8	1-(4-Chlorophenyl)-1-phenyl-2-propynyl carbamate	285.7293	C16H12ClNO2	C(N)(=O)OC(C#C)(C1C=CC=CC=1)C2C=CC(=CC=2)Cl	InChI=1/C16H12ClNO2/c1-2-16(20-15(18)19,12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h1,3-11H,(H2,18,19)
2227-13-6	p-Chlorophenyl-2,4,5-trichlorophenyl sulfide	324.0514	C12H6Cl4S	ClC1=CC(=C(C=C1SC2=CC=C(C=C2)Cl)Cl)Cl	InChI=1/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H
76-06-2	Chloropicrin	164.3755	CCl3NO2	ClC([N+](=O)[O-])(Cl)Cl	InChI=1/CCl3NO2/c2-1(3,4)5(6)7
126-99-8	Chloroprene	88.5355	C4H5Cl	C=C(Cl)C=C	InChI=1/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
683-50-1	2-Chloropropanal	92.5249	C3H5ClO	CC(C=O)Cl	InChI=1/C3H5ClO/c1-3(4)2-5/h2-3H,1H3
590-21-6	1-Chloropropene	76.5255	C3H5Cl	CC=CCl	InChI=1/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+
1897-45-6	Chlorothalonil	265.9134	C8Cl4N2	ClC1=C(C(=C(C(=C1C#N)Cl)Cl)Cl)C#N	InChI=1/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
54749-90-5	Chlorozotocin	313.69224	C9H16ClN3O7	O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(CCCl)N=O	InChI=1/C9H16ClN3O7/c10-1-2-13(12-19)9(18)11-5-7(16)6(15)4(3-14)20-8(5)17/h4-8,14-17H,1-3H2,(H,11,18)/t4-,5-,6-,7-,8+/m1/s1
113-92-8	Chlorpheniramine maleate	390.8657	C20H23ClN2O4	C[N+](CCC(C1=CC=C(C=C1)Cl)C2=NC=CC=C2)C.C(\C(=C(/C(=O)[O-])[H])[H])(=O)O	InChI=1/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
94-20-2	Chlorpropamide	276.7373	C10H13ClN2O3S	O=S(=O)(C1=CC=C(C=C1)Cl)NC(=O)NCCC	InChI=1/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
12236-46-3	Chocolate Brown FB				
4553-89-3	Chocolate Brown HT	652.56014	C27H18N4Na2O9S2	OCC1=C(C(=C(C(=C1)/N=N/C2=C3C=CC=CC3=C(C=C2)S(=O)(=O)[O-])O)/N=N/C4=C5C=CC=CC5=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+]	InChI=1/C27H20N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21;;/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-28+,31-29+;;
67-48-1	Choline chloride	139.6247	C5H14ClNO	C([N+](C)(C)C)CO.[Cl-]	InChI=1/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
1308-38-9	Chromic oxide pigment	151.9902	Cr2O3	O=[Cr]O[Cr]=O	InChI=1/2Cr.3O
1066-30-4	Chromium (III) acetate	229.1295	C6H9CrO6	CC(=O)[O-].[O-]C(=O)C.[O-]C(=O)C.[Cr+3]	InChI=1/3C2H4O2.Cr/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
117-10-2	Chrysazin	240.2148	C14H8O4	O=C1C2=C(C=CC=C2O)C(=O)C3=CC=CC(=C13)O	InChI=1/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
51481-61-9	Cimetidine	252.3366	C10H16N6S	C1(=C(NC=N1)C)CSCC/N=C(\NC#N)NC	InChI=1/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
87-29-6	Cinnamyl anthranilate	253.3	C16H15NO2	NC1=C(C=CC=C1)C(=O)OC/C=C/C2=CC=CC=C2	InChI=1/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6+
52214-84-3	Ciprofibrate	289.1578	C13H14Cl2O3	ClC1(C(C2=CC=C(C=C2)OC(C(=O)O)(C)C)C1)Cl	InChI=1/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
77-92-9	Citric acid	192.125	C6H8O7	OC(CC(=O)O)(CC(=O)O)C(=O)O	InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
518-75-2	Citrinin	250.2506	C13H14O5	CC1=C2C(=CO[C@H]([C@@H]2C)C)C(=C(C1=O)C(=O)O)O	InChI=1/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m0/s1
33979-15-6	Clivorine	405.4416	C21H27NO7	CC(=O)O[C@]1(C)C(=O)OC\C2=C\CN(C)CC[C@@H](OC(=O)C(=C/[C@H]1C)\C=C)C2=O	InChI=1/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-,16-7-/t13-,17-,21+/m1/s1
22494-47-9	Clobuzarit	304.7681	C17H17ClO3	Clc1ccc(cc1)c2ccc(COC(C)(C)C(O)=O)cc2	InChI=1/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)
637-07-0	Clofibrate	242.7017	C12H15ClO3	CC(OC1=CC=C(C=C1)Cl)(C(=O)OCC)C	InChI=1/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
43054-45-1	Clomiphene citrate	598.0913	C32H36ClNO8	C(CC(=O)O)(CC(=O)O)(C(=O)O)O.C(=C(/Cl)C1=CC=CC=C1)(/C2=CC=C(C=C2)OCCN(CC)CC)C3=CC=CC=C3	InChI=1/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
1420-04-8	Clonitralid	388.2066	C15H15Cl2N3O5	OCCN.O=C(C1=C(C=CC(=C1)Cl)O)NC2=CC=C(C=C2Cl)[N+](=O)[O-]	InChI=1/C13H8Cl2N2O4.C2H7NO/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;3-1-2-4/h1-6,18H,(H,16,19);4H,1-3H2
55600-34-5	Clophen A 30				
10026-24-1	Cobalt sulfate heptahydrate	281.1028	H14CoO11S	O.O.O.O.[Co+2].O.O.O.[O-]S([O-])(=O)=O	InChI=1/Co.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2
76-57-3	Codeine	299.3688	C18H21NO3	O[C@@H]1C2[C@@]34C5=C(C=CC(=C5O2)OC)CC(C3C=C1)N(C)CC4	InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
477-30-5	Colcemid	371.4322	C21H25NO5	COC1=C(C(=CC2=C1C3=CC=C(OC)C(=O)C=C3[C@@H](NC)CC2)OC)OC	InChI=1/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
65765-07-3	Compound 50-892	308.3792	C19H20N2O2	N1(C(/N=C(\C2C=CC(=CC1=2)C)C3C=C(C=CC=3)OC)=O)C(C)C	InChI=1/C19H20N2O2/c1-12(2)21-17-10-13(3)8-9-16(17)18(20-19(21)22)14-6-5-7-15(11-14)23-4/h5-12H,1-4H3
88107-10-2	Compound LY171883	318.3748	C16H22N4O3	C1(=C(C(=C(C=C1)C(C)=O)O)CCC)OCCCCC2NN=NN=2	InChI=1/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
137-29-1	Copper dimethyldithiocarbamate	303.9602	C6H12CuN2S4	S=C(N(C)C)S[Cu]SC(=S)N(C)C	InChI=1/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
10380-28-6	Copper-8-hydroxyquinoline	351.851	C18H12CuN2O2	N1=CC=CC2=CC=CC(=C12)O[Cu]OC3=CC=CC4=CC=CN=C34	InChI=1/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
56-72-4	Coumaphos	362.76416	C14H16ClO5PS	CC1=C(Cl)C(=O)OC2=C1C=CC(=C2)OP(=S)(OCC)OCC	InChI=1/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
91-64-5	Coumarin	146.1452	C9H6O2	O=C1OC2=C(C=CC=C2)C=C1	InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
102-50-1	m-Cresidine	137.181	C8H11NO	COC1=CC(=C(C=C1)N)C	InChI=1/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3
120-71-8	p-Cresidine	137.181	C8H11NO	NC1=CC(=CC=C1OC)C	InChI=1/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
123-73-9	Crotonaldehyde	70.0908	C4H6O	CC=CC=O	InChI=1/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
135-20-6	Cupferron	155.156	C6H9N3O2	[N+].C1(N(N=O)[O-])=CC=CC=C1	InChI=1/C6H5N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;1H3/q-1;/p+1
156-62-7	Cyanamide, calcium	80.1044	CCaN2	[Ca+2].[N-2]C#N	InChI=1/CN2.Ca.H/c2-1-3;;/q-2;+1;
157480-33-6	Cyanoguanidine	84.08	C2H4N4	NC(=N)NC#N	InChI=1/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
139-05-9	Cyclamate, sodium	201.21547	C6H12NNaO3S	C1(NS(=O)(=O)[O-])CCCCC1.[Na+]	InChI=1/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
12663-46-6	Cyclochlorotine	572.4382	C24H31Cl2N5O7	O=C2C(CO)NC(=O)CC(NC(=O)C(CO)NC(=O)C(NC(=O)C1C(Cl)C(Cl)CN12)CC)c3ccccc3	InChI=1/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)
31698-14-3	Cyclocytidine	225.2013	C9H11N3O4	N=C\2/N=C3/O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N3/C=C/2	InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8-/m1/s1
7585-39-9	b-Cyclodextrin	1134.9842	C42H70O35	O[C@@H]8[C@@H](O)[C@@H]1O[	InChI=1/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-4
108-94-1	Cyclohexanone	98.1444	C6H10O	O=C1CCCCC1	InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
95-33-0	N-Cyclohexyl-2-benzothiazole sulfenamide	264.4028	C13H16N2S2	N1=C(SNC2CCCCC2)SC3=C1C=CC=C3	InChI=1/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
4998-76-9	Cyclohexylamine.HCl	135.6363	C6H14ClN	C1(CCCCC1)N.[HCl]	InChI=1/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
19834-02-7	Cyclohexylamine sulfate	197.2488	C6H15NO4S	C1(CCCCC1[N+]).O=S(=O)([O-])O	InChI=1/C6H13N.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h6H,1-5,7H2;(H2,1,2,3,4)
1192-28-5	Cyclopentanone oxime	99.1311	C5H9NO	O\N=C1\CCCC1	InChI=1/C5H9NO/c7-6-5-3-1-2-4-5/h7H,1-4H2
50-18-0	Cyclophosphamide	261.08746	C7H15Cl2N2O2P	ClCCN(CCCl)[P]1(=O)NCCCO1	InChI=1/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)
59865-13-3	Cyclosporin A	1202.6254	C62H111N11O12	[C@@]1(N(C([C@@H](N(C([C@@H](N(C([C@@H](N(C([C@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC([C@@H](N(C(CN(C([C@@H](NC1=O)CC)=O)C)=O)C)CC(C)C)=O)C(C)C)=O)C)CC(C)C)=O)C)=O)C)=O)C)CC(C)C)=O)C)CC(C)C)=O)C)C(C)C)=O)C)([C@@H]([C@@H](C/C=C/C)C)O)[H]	InChI=1/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(7
427-51-0	Cyproterone acetate	416.9377	C24H29ClO4	CC(=O)[C@]3(CC[C@H]4[C@@H]5/C=C(/Cl)\C2=C\C(=O)[C@@H]1C[C@@H]1[C@]2(C)[C@H]5CC[C@]34C)OC(C)=O	InChI=1/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
52-89-1	l-Cysteine.HCl	157.6191	C3H8ClNO2	O=C(O)[C@H](CS)N.Cl	InChI=1/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1
16170-75-5	Cytembena	307.07557	C11H8BrNaO4	O=C(/C=C(\Br)C(=O)C1=CC=C(C=C1)OC)[O-].[Na+]	InChI=1/C11H9BrO4.Na/c1-16-8-4-2-7(3-5-8)11(15)9(12)6-10(13)14;/h2-6H,1H3,(H,13,14);/q;+1/p-1/b9-6-;
4342-03-4	Dacarbazine	182.1846	C6H10N6O	CN(C)N=NC1=C(NC=N1)C(N)=O	InChI=1/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+
1596-84-5	Daminozide	160.1724	C6H12N2O3	O=C(CCC(=O)O)NN(C)C	InChI=1/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
80-08-0	Dapsone	248.299	C12H12N2O2S	O=S(=O)(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N	InChI=1/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
53-19-0	o,p'-DDD	320.045	C14H10Cl4	ClC(C(C1=C(C=CC=C1)Cl)C2=CC=C(C=C2)Cl)Cl	InChI=1/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
72-54-8	p,p'-DDD	320.045	C14H10Cl4	ClC(C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)Cl	InChI=1/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
72-55-9	p,p'-DDE	318.0292	C14H8Cl4	ClC(=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)Cl	InChI=1/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
50-29-3	DDT	354.4901	C14H9Cl5	ClC(C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)(Cl)Cl	InChI=1/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
1163-19-5	Decabromodiphenyl oxide	959.1714	C12Br10O	BrC1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br	InChI=1/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
1163-19-5	Decabromodiphenyl oxide, technical grade (77.4% DBDPO, 21.8% nonabromodiphenyl oxide, 0.8% octabromodiphenyl oxide) 				
14484-47-0	Deflazacort	441.5167	C25H31NO6	CC(=O)OCC(=O)[C@@]53/N=C(/C)O[C@@H]5C[C@H]2[C@@H]4CC\C1=C\C(=O)\C=C/[C@]1(C)[C@H]4[C@@H](O)C[C@@]23C	InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1
53-43-0	Dehydroepiandrosterone	288.4244	C19H28O2	O[C@@H]3C\C4=C\C[C@@H]2[C@H](CC[C@]1(C)C(=O)CC[C@H]12)[C@@]4(C)CC3	InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
853-23-6	Dehydroepiandrosterone acetate	330.4611	C21H30O3	CC(=O)O[C@@H]3C\C4=C\C[C@@H]2[C@H](CC[C@]1(C)C(=O)CC[C@H]12)[C@@]4(C)CC3	InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1
52918-63-5	Deltamethrin	505.205	C22H19Br2NO3	Br/C(Br)=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C	InChI=1/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
51481-10-8	Deoxynivalenol	296.3157	C15H20O6	O[C@@H]1C(=O)C(\C)=C/[C@H]2O[C@@H]4[C@H](O)C[C@](C)([C@@]12CO)[C@@]34CO3	InChI=1/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1
131-01-1	Deserpidine	578.6527	C32H38N2O8	COc1cc(cc(OC)c1OC)C(=O)O[C@@H]4C[C@@H]5CN6CC\C3=C(\Nc2ccccc23)[C@H]6C[C@@H]5[C@H](C(=O)OC)[C@H]4OC	InChI=1/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
50-02-2	Dexamethazone	392.4610632	C22H29FO5	OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\C(=O)/C=C3/CC[C@@H]12	InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
9004-54-0	Dextran				
9011-18-1	Dextran sulfate sodium (DS-M-1)				
9011-18-1	Dextran sulfate sodium (DST-H)				
9011-18-1	Dextran sulfate sodium (KMDS-H)				
63019-65-8	N-1-Diacetamidofluorene	265.311	C17H15NO2	CC(N(C1=CC=CC2=C1CC3=C2C=CC=C3)C(C)=O)=O	InChI=1/C17H15NO2/c1-11(19)18(12(2)20)17-9-5-8-15-14-7-4-3-6-13(14)10-16(15)17/h3-9H,10H2,1-2H3
3148-73-0	Diacetyl hydrazine	116.1194	C4H8N2O2	CC(=O)NNC(=O)C	InChI=1/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)
2303-16-4	Diallate	270.2164	C10H17Cl2NOS	CC(C)N(C(=O)SCC(\Cl)=C\Cl)C(C)C	InChI=1/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-
131-17-9	Diallyl phthalate	246.2622	C14H14O4	O=C(C1=C(C=CC=C1)C(=O)OCC=C)OCC=C	InChI=1/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
5164-11-4	1,1-Diallylhydrazine	112.1742	C6H12N2	N(N)(CC=C)CC=C	InChI=1/C6H12N2/c1-3-5-8(7)6-4-2/h3-4H,1-2,5-7H2
26072-78-6	1,2-Diallylhydrazine.2HCl	185.096	C6H14Cl2N2	N(NCC=C)CC=C.[HCl].[HCl]	InChI=1/C6H12N2.2ClH/c1-3-5-7-8-6-4-2;;/h3-4,7-8H,1-2,5-6H2;2*1H
16338-97-9	Diallylnitrosamine	126.1578	C6H10N2O	C=CCN(CC=C)N=O	InChI=1/C6H10N2O/c1-3-5-8(7-9)6-4-2/h3-4H,1-2,5-6H2
720-69-4	4,6-Diamino-2-(5-nitro-2-furyl)-S-triazine	222.1628	C7H6N6O3	NC1=NC(=NC(=N1)C2=CC=C(O2)[N+]([O-])=O)N	InChI=1/C7H6N6O3/c8-6-10-5(11-7(9)12-6)3-1-2-4(16-3)13(14)15/h1-2H,(H4,8,9,10,11,12)
7336-20-1	4,4'-Diamino-2,2'-stilbenedisulfonic acid, disodium salt	414.35814	C14H12N2Na2O6S2	C1(=C(/C=C/C2=C(S(=O)(=O)[O-])C=C(C=C2)N)C=CC(=C1)N)S(=O)(=O)[O-].[Na+].[Na+]	InChI=1/C14H14N2O6S2.2Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2/b2-1+;;
39156-41-7	2,4-Diaminoanisole sulfate	236.2422	C7H12N2O5S	COC1=C(N)C=C(N)C=C1.O=S(O)(O)=O.COC2=C(N)C=C(N)C=C2.O=S(O)(O)=O	InChI=1/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)
538-41-0	4,4'-Diaminoazobenzene	212.2536	C12H12N4	NC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)N	InChI=1/C12H12N4/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2/b16-15+
785-30-8	4,4'-Diaminobenzanilide	227.2652	C13H13N3O	O=C(C1=CC=C(C=C1)N)NC2=CC=C(C=C2)N	InChI=1/C13H13N3O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17)
137-09-7	2,4-Diaminophenol.2HCl	197.0638	C6H10Cl2N2O	C1(C(=CC=C(C=1)N)O)N.[HCl].[HCl]	InChI=1/C6H8N2O.2ClH/c7-4-1-2-6(9)5(8)3-4;;/h1-3,9H,7-8H2;2*1H
95-80-7	2,4-Diaminotoluene	122.1694	C7H10N2	NC1=C(C=CC(=C1)N)C	InChI=1/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3
636-23-7	2,4-Diaminotoluene.2HCl	195.0912	C7H12Cl2N2	NC1(=C(C=CC(=C1)N)C).[H]Cl.[H]Cl	InChI=1/C7H10N2.2ClH/c1-5-2-3-6(8)4-7(5)9;;/h2-4H,8-9H2,1H3;2*1H
15481-70-6	2,6-Diaminotoluene.2HCl	195.0912	C7H12Cl2N2	C1(=CC(=C(C(=C1)N)C)N).[H]Cl.[H]Cl	InChI=1/C7H10N2.2ClH/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,8-9H2,1H3;2*1H
6369-59-1	2,5-Diaminotoluene sulfate	220.2428	C7H12N2O4S	NC1=C(C)C=C(N)C=C1.O=S(O)(O)=O	InChI=1/C7H10N2.H2O4S/c1-5-4-6(8)2-3-7(5)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)
439-14-5	Diazepam	284.7445	C16H13ClN2O	CN1C2=C(C=C(C=C2)Cl)C(=NCC1=O)C3=CC=CC=C3	InChI=1/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
333-41-5	Diazinon	304.34326	C12H21N2O3PS	S=P(OC1=NC(=NC(=C1)C)C(C)C)(OCC)OCC	InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
NOCAS	3-Diazotyramine.HCl	199.6395	C8H10ClN3O	C1(/C=C(\C=C/C1=O)CCN)=[N+]=[N-].[HCl]	InChI=1/C8H9N3O.ClH/c9-4-3-6-1-2-8(12)7(5-6)11-10;/h1-2,5H,3-4,9H2;1H
53-70-3	Dibenz(a,h)anthracene	278.3526	C22H14	C1=C2C=CC3=CC=CC=C3C2=CC4=CC=C5C(=C14)C=CC=C5	InChI=1/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H
262-12-4	Dibenzo-p-dioxin	184.194	C12H8O2	O1C2=C(C=CC=C2)OC3=CC=CC=C13	InChI=1/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
4106-66-5	3-Dibenzofuranamine	183.2092	C12H9NO	NC1=CC=C2C3=C(C=CC=C3)OC2=C1	InChI=1/C12H9NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H,13H2
35660-60-7	O,S-Dibenzoyl thiamine.HCl	547.4982	C26H28Cl2N4O3S	NC1(=C(C[N+]2=CS(H)(C(CCOC(C3C=CC=CC=3)=O)=C2C)C(C4C=CC=CC=4)=O)C=NC(C)=N1).[H]Cl.[Cl-]	InChI=1/C26H27N4O3S.2ClH/c1-18-23(13-14-33-25(31)20-9-5-3-6-10-20)34(26(32)21-11-7-4-8-12-21)17-30(18)16-22-15-28-19(2)29-24(22)27;;/h3-12,15,17,34H,13-14,16H2,1-2H3,(H2,27,28,29);2*1H/q+1;;/p-1
96-12-8	1,2-Dibromo-3-chloropropane	236.3335	C3H5Br2Cl	BrC(CCl)CBr	InChI=1/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
10318-26-0	Dibromodulcitol	307.96508	C6H12Br2O4	O[C@H](CBr)[C@H](O)[C@H](O)[C@@H](O)CBr	InChI=1/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4+,5+,6-
106-93-4	1,2-Dibromoethane	187.8616	C2H4Br2	BrCCBr	InChI=1/C2H4Br2/c3-1-2-4/h1-2H2
488-41-5	Dibromomannitol	307.9664	C6H12Br2O4	O[C@H]([C@H](O)CBr)[C@H](O)[C@H](O)CBr	InChI=1/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5+,6+/m0/s1
34522-69-5	5,7-Dibromoquinoline	286.9532	C9H5Br2N	C1(=CC(=C2C(=C1)N=CC=C2)Br)Br	InChI=1/C9H5Br2N/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h1-5H
56654-52-5	1,3-Dibutyl-1-nitrosourea	201.268	C9H19N3O2	O=C(N(CCCC)N=O)NCCCC	InChI=1/C9H19N3O2/c1-3-5-7-10-9(13)12(11-14)8-6-4-2/h3-8H2,1-2H3,(H,10,13)
1067-33-0	Dibutyltin diacetate	351.0092	C12H24O4Sn	CC(=O)O[Sn](OC(=O)C)(CCCC)CCCC	InChI=1/2C4H9.2C2H4O2.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2
23950-58-5	3,5-Dichloro(N-1,1-dimethyl-2-propynyl)benzamide	256.131	C12H11Cl2NO	CC(NC(=O)C1=CC(=CC(=C1)Cl)Cl)(C#C)C	InChI=1/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
3883-43-0	2,3-Dichloro-p-dioxane	156.9962	C4H6Cl2O2	Cl[C@@H]1[C@H](OCCO1)Cl	InChI=1/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2/t3-,4-/m0/s1
1717-00-6	1,1-Dichloro-1-fluoroethane	116.9496	C2H3Cl2F	CC(Cl)(Cl)F	InChI=1/C2H3Cl2F/c1-2(3,4)5/h1H3
87-56-9	alpha,beta-Dichloro-beta-formylacrylic acid	168.964	C4H2Cl2O3	O=CC(\Cl)=C(\Cl)C(O)=O	InChI=1/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-
2164-09-2	3,4'-Dichloro-2-methylacrylanilide	230.0932	C10H9Cl2NO	C1(C(=CC=C(C=1)NC(C(C)=C)=O)Cl)Cl	InChI=1/C10H9Cl2NO/c1-6(2)10(14)13-7-3-4-8(11)9(12)5-7/h3-5H,1H2,2H3,(H,13,14)
117-80-6	2,3-Dichloro-1,4-naphthoquinone	227.0464	C10H4Cl2O2	O=C1C2=C(C=CC=C2)C(=O)C(=C1Cl)Cl	InChI=1/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
99-30-9	2,6-Dichloro-4-nitroaniline	207.0158	C6H4Cl2N2O2	O=[N+](C1=CC(=C(C(=C1)Cl)N)Cl)[O-]	InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
609-20-1	2,6-Dichloro-p-phenylenediamine	177.0328	C6H6Cl2N2	NC1=C(C=C(C=C1Cl)N)Cl	InChI=1/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2
79-43-6	Dichloroacetic acid	128.9426	C2H2Cl2O2	OC(=O)C(Cl)Cl	InChI=1/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
7572-29-4	Dichloroacetylene	94.928	C2Cl2	ClC#CCl	InChI=1/C2Cl2/c3-1-2-4
95-50-1	1,2-Dichlorobenzene	147.0036	C6H4Cl2	ClC1=C(C=CC=C1)Cl	InChI=1/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
106-46-7	1,4-Dichlorobenzene	147.0036	C6H4Cl2	ClC1=CC=C(C=C1)Cl	InChI=1/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
91-94-1	3,3'-Dichlorobenzidine	253.1304	C12H10Cl2N2	ClC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)Cl)N	InChI=1/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
612-83-9	3,3'-Dichlorobenzidine.2HCl	326.0491	C12H12Cl4N2	ClC1=CC(C2=CC(Cl)=C(N)C=C2)=CC=C1N.Cl.Cl	InChI=1/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H
110-57-6	trans-1,4-Dichlorobutene-2	124.9974	C4H6Cl2	ClC/C=C/CCl	InChI=1/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
33857-26-0	2,7-Dichlorodibenzo-p-dioxin	253.0842	C12H6Cl2O2	ClC1=CC2=C(C=C1)OC3=C(C=CC(=C3)Cl)O2	InChI=1/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H
75-71-8	Dichlorodifluoromethane	120.9138	CCl2F2	FC(F)(Cl)Cl	InChI=1/CCl2F2/c2-1(3,4)5
75-34-3	1,1-Dichloroethane	98.9596	C2H4Cl2	CC(Cl)Cl	InChI=1/C2H4Cl2/c1-2(3)4/h2H,1H3
107-06-2	1,2-Dichloroethane	98.9596	C2H4Cl2	ClCCCl	InChI=1/C2H4Cl2/c3-1-2-4/h1-2H2
120-83-2	2,4-Dichlorophenol	163.003	C6H4Cl2O	ClC1=C(C=CC(=C1)Cl)O	InChI=1/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
120-36-5	alpha-(2,4-Dichlorophenoxy)propionic acid	235.0664	C9H8Cl2O3	ClC1=C(C=CC(=C1)Cl)O[C@@H](C(=O)O)C	InChI=1/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1
6965-71-5	alpha-(2,5-Dichlorophenoxy)propionic acid	235.0664	C9H8Cl2O3	ClC1=C(C=C(C=C1)Cl)OC(C(=O)O)C	InChI=1/C9H8Cl2O3/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H,12,13)
94-75-7	2,4-Dichlorophenoxyacetic acid	221.0396	C8H6Cl2O3	ClC1=C(C=CC(=C1)Cl)OCC(=O)O	InChI=1/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
94-80-4	2,4-Dichlorophenoxyacetic acid, n-butyl ester	277.1468	C12H14Cl2O3	ClC1=C(C=CC(=C1)Cl)OCC(=O)OCCCC	InChI=1/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
25168-26-7	2,4-Dichlorophenoxyacetic acid, isooctyl ester	333.254	C16H22Cl2O3	ClC1=CC(=CC=C1OCC(=O)OCCCCCC(C)C)Cl	InChI=1/C16H22Cl2O3/c1-12(2)6-4-3-5-9-20-16(19)11-21-15-8-7-13(17)10-14(15)18/h7-8,10,12H,3-6,9,11H2,1-2H3
94-11-1	2,4-Dichlorophenoxyacetic acid, isopropyl ester	263.12	C11H12Cl2O3	ClC1=CC(=CC=C1OCC(=O)OC(C)C)Cl	InChI=1/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
330-54-1	3-(3,4-Dichlorophenyl)-1,1-dimethylurea	233.0968	C9H10Cl2N2O	ClC1=C(C=CC(=C1)NC(=O)N(C)C)Cl	InChI=1/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
97-16-5	2,4-Dichlorophenylbenzene sulfonate	303.1594	C12H8Cl2O3S	ClC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=CC=C2	InChI=1/C12H8Cl2O3S/c13-9-6-7-12(11(14)8-9)17-18(15,16)10-4-2-1-3-5-10/h1-8H
78-87-5	1,2-Dichloropropane	112.9864	C3H6Cl2	CC(CCl)Cl	InChI=1/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
62-73-7	Dichlorvos	220.97666	C4H7Cl2O4P	O=P(OC=C(Cl)Cl)(OC)OC	InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
115-32-2	Dicofol	370.4895	C14H9Cl5O	OC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl	InChI=1/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
1212-29-9	N,N'-Dicyclohexylthiourea	240.406	C13H24N2S	S=C(NC1CCCCC1)NC1CCCCC1	InChI=1/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
81-21-0	Dicyclopentadiene dioxide	164.2036	C10H12O2	C1C2C3C(C1C1C2O1)CC1C3O1	InChI=1/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2
60-57-1	Dieldrin	380.9126	C12H8Cl6O	Cl\C2=C(/Cl)C3(Cl)C1C4CC(C1C2(Cl)C3(Cl)Cl)C5OC45	InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2
13366-73-9	Dieldrin, photo-	380.9126	C12H8Cl6O	ClC6C4(Cl)C3C1C5C(C3C2OC12)C4(Cl)C(Cl)(Cl)C56Cl	InChI=1/C12H8Cl6O/c13-8-9(14)3-1-4-5(2(3)7-6(1)19-7)11(9,16)12(17,18)10(4,8)15/h1-8H
298-18-0	d,l-Diepoxybutane	86.0902	C4H6O2	C1OC1C2CO2	InChI=1/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
7316-37-2	Diethyl-beta,gamma-epoxypropylphosphonate	194.16686	C7H15O4P	CCOP(=O)(C[CH]1CO1)OCC	InChI=1/C7H15O4P/c1-3-10-12(8,11-4-2)6-7-5-9-7/h7H,3-6H2,1-2H3
7347-49-1	N,N-Diethyl-4-(4'-[pyridyl-1'- oxide]azo)aniline	270.3296	C15H18N4O	[O-][N+](C=C2)=CC=C2/N=N/C1=CC=C(N(CC)CC)C=C1	InChI=1/C15H18N4O/c1-3-18(4-2)15-7-5-13(6-8-15)16-17-14-9-11-19(20)12-10-14/h5-12H,3-4H2,1-2H3/b17-16+
2921-88-2	O,O-Diethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothiolate	350.58356	C9H11Cl3NO3PS	S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC	InChI=1/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
685-91-6	Diethylacetamide	115.1748	C6H13NO	CC(=O)N(CC)CC	InChI=1/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
NOCAS	Diethylacetylurea	158.1998	C7H14N2O2	O=C(N(CC)CC)NC(C)=O	InChI=1/C7H14N2O2/c1-4-9(5-2)7(11)8-6(3)10/h4-5H2,1-3H3,(H,8,10,11)
NOCAS	(+-)-4-diethylamino-1,1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate.HCl monohydrate	440.0159	C24H38ClNO4	O=C(C(O)(C2=CC=CC=C2)C1CCCCC1)OC(C)(C)C#CCN(CC)CC.O.Cl	InChI=1/C24H35NO3.ClH.H2O/c1-5-25(6-2)19-13-18-23(3,4)28-22(26)24(27,20-14-9-7-10-15-20)21-16-11-8-12-17-21;;/h7,9-10,14-15,21,27H,5-6,8,11-12,16-17,19H2,1-4H3;1H;1H2
111-46-6	Diethylene glycol	106.1212	C4H10O3	OCCOCCO	InChI=1/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
617-84-5	Diethylformamide	101.148	C5H11NO	CCN(CC)C=O	InChI=1/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3
141-05-9	Diethylmaleate	172.1804	C8H12O4	O=C(/C=C\C(=O)OCC)OCC	InChI=1/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
56-53-1	Diethylstilbestrol	268.3548	C18H20O2	C(=C(\C1C=CC(=CC=1)O)CC)(/C2=CC=C(C=C2)O)CC	InChI=1/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
105-55-5	N,N'-Diethylthiourea	132.2232	C5H12N2S	S=C(NCC)NCC	InChI=1/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
70052-12-9	2-(Difluoromethyl)-dl-ornithine	182.1698	C6H12F2N2O2	NC(CCCN)(C(=O)O)C(F)F	InChI=1/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
628-36-4	1,2-Diformylhydrazine	88.0658	C2H4N2O2	O=CNNC=O	InChI=1/C2H4N2O2/c5-1-3-4-2-6/h1-2H,(H,3,5)(H,4,6)
21626-89-1	Diftalone	264.283	C16H12N2O2	O=C1N2CC3=CC=CC=C3C(=O)N2CC4C=CC=CC1=4	InChI=1/C16H12N2O2/c19-15-13-7-3-1-5-11(13)9-17-16(20)14-8-4-2-6-12(14)10-18(15)17/h1-8H,9-10H2
101-90-6	Diglycidyl resorcinol ether, technical grade	222.2402	C12H14O4	C1=C(C=CC=C1OCC2CO2)OCC3CO3	InChI=1/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2
62488-57-7	5,6-Dihydro-5-azacytidine	246.2224	C8H14N4O5	O=C2NC(/N)=N\CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1/C8H14N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h3-6,13-15H,1-2H2,(H3,9,10,11,16)/t3-,4-,5-,6-/m1/s1
33389-33-2	1,2-Dihydro-2-(5-nitro-2-thienyl) quinazolin-4(3H)-one	275.2814	C12H9N3O3S	C1=CC=C2C(=C1)NC(NC2=O)C3=CC=C(S3)[N+]([O-])=O	InChI=1/C12H9N3O3S/c16-12-7-3-1-2-4-8(7)13-11(14-12)9-5-6-10(19-9)15(17)18/h1-6,11,13H,(H,14,16)
3276-41-3	3,6-Dihydro-2-nitroso-2H-1,2-oxazine	114.1036	C4H6N2O2	C1/C=C\CN(O1)N=O	InChI=1/C4H6N2O2/c7-5-6-3-1-2-4-8-6/h1-2H,3-4H2
119-84-6	3,4-Dihydrocoumarin	148.161	C9H8O2	O=C1OC2=C(C=CC=C2)CC1	InChI=1/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
94-58-6	Dihydrosafrole	164.2036	C10H12O2	CCCC1=CC2=C(C=C1)OCO2	InChI=1/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3
1592-36-5	3,3'-Dihydroxybenzidine.2HCl	289.1578	C12H14Cl2N2O2	NC2=C(O)C=C(C=C2)C(C=C1O)=CC=C1N.Cl.Cl	InChI=1/C12H12N2O2.2ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;/h1-6,15-16H,13-14H2;2*1H
75659-08-4	(R,R)-Dilevalol.HCl	364.8711	C19H25ClN2O3	C1(=C(C=CC(=C1)[C@H](CN[C@@H](CCC2=CC=CC=C2)C)O)O)C(N)=O.[H]Cl	InChI=1/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H/t13-,18+;/m1./s1
695-53-4	Dimethadione	129.1152	C5H7NO3	CC1(C(=O)NC(=O)O1)C	InChI=1/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)
60-51-5	Dimethoate	229.24846	C5H12NO3PS2	S=P(SCC(=O)NC)(OC)OC	InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)
828-00-2	Dimethoxane	174.1962	C8H14O4	CC1CC(OC(O1)C)OC(=O)C	InChI=1/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3
828-00-2	Dimethoxane, commercial grade	174.1962	C8H14O4	CC1CC(OC(O1)C)OC(=O)C	InChI=1/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3
5803-51-0	2,5-Dimethoxy-4'-aminostilbene	255.3158	C16H17NO2	C(=C/C1C(=CC=C(C=1)OC)OC)/C2C=CC(=CC=2)N	InChI=1/C16H17NO2/c1-18-15-9-10-16(19-2)13(11-15)6-3-12-4-7-14(17)8-5-12/h3-11H,17H2,1-2H3/b6-3-
54150-69-5	2,4-Dimethoxyaniline.HCl	189.6413	C8H12ClNO2	C1(=CC(=CC=C1N)OC)OC.[HCl]	InChI=1/C8H11NO2.ClH/c1-10-6-3-4-7(9)8(5-6)11-2;/h3-5H,9H2,1-2H3;1H
91-93-0	3,3'-Dimethoxybenzidine-4,4'-diisocyanate	296.2818	C16H12N2O4	COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O	InChI=1/C16H12N2O4/c1-21-15-7-11(3-5-13(15)17-9-19)12-4-6-14(18-10-20)16(8-12)22-2/h3-8H,1-2H3
20325-40-0	3,3'-Dimethoxybenzidine.2HCl	317.2109	C14H18Cl2N2O2	NC1=CC=C(C2=CC=C(N)C(OC)=C2)C=C1OC.Cl.Cl	InChI=1/C14H16N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h3-8H,15-16H2,1-2H3;2*1H
1146-71-0	5,7-Dimethoxycyclopentene[c]coumarin	246.2622	C14H14O4	O1C(=O)/C2=C(\C3=C1C=C(C=C3OC)OC)CCC2	InChI=1/C14H14O4/c1-16-8-6-11(17-2)13-9-4-3-5-10(9)14(15)18-12(13)7-8/h6-7H,3-5H2,1-2H3
1150-37-4	5,7-Dimethoxycyclopentenone[2,3-c]coumarin	260.2458	C14H12O5	C12=CC(=CC(=C1C3=C(C(O2)=O)CCC3=O)OC)OC	InChI=1/C14H12O5/c1-17-7-5-10(18-2)13-11(6-7)19-14(16)8-3-4-9(15)12(8)13/h5-6H,3-4H2,1-2H3
1150-42-1	5,7-Dimethoxycyclopentenone[3,2-c] coumarin	260.2458	C14H12O5	C12=CC(=CC(=C1C3=C(C(O2)=O)C(CC3)=O)OC)OC	InChI=1/C14H12O5/c1-17-7-5-10(18-2)13-8-3-4-9(15)12(8)14(16)19-11(13)6-7/h5-6H,3-4H2,1-2H3
65176-75-2	5,6-Dimethoxysterigmatocystin	384.3416	C20H16O8	O=C1C2=C(C3=C(C=C2OC)OC4C3C=CO4)OC5=C1C(=CC(=C5OC)OC)O	InChI=1/C20H16O8/c1-23-10-7-11-13(8-4-5-26-20(8)27-11)18-15(10)16(22)14-9(21)6-12(24-2)17(25-3)19(14)28-18/h4-8,20-21H,1-3H3
13265-60-6	O,O-Dimethyl S-2(acetylamino)ethyl dithiophosphate, technical grade	243.284	C6H14NO3PS2	O=C(C)NCCSP(=S)(OC)OC	InChI=1/C6H14NO3PS2/c1-6(8)7-4-5-13-11(12,9-2)10-3/h4-5H2,1-3H3,(H,7,8)
60-11-7	N,N-Dimethyl-4-aminoazobenzene	225.2926	C14H15N3	CN(C1=CC=C(C=C1)/N=N/C2=CC=CC=C2)C	InChI=1/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3/b16-15+
3851-16-9	N,N'-Dimethyl-N,N'-dinitrosophthalamide	250.2134	C10H10N4O4	CN(N=O)C(=O)C1=C(C=CC=C1)C(=O)N(C)N=O	InChI=1/C10H10N4O4/c1-13(11-17)9(15)7-5-3-4-6-8(7)10(16)14(2)12-18/h3-6H,1-2H3
868-85-9	Dimethyl hydrogen phosphite	110.04926	C2H7O3P	O=P(H)(OC)OC	InChI=1/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3
756-79-6	Dimethyl methylphosphonate	124.07606	C3H9O3P	CP(=O)(OC)OC	InChI=1/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3
597-25-1	Dimethyl morpholinophosphoramidate	195.15466	C6H14NO4P	P(=O)(OC)(OC)N1CCOCC1	InChI=1/C6H14NO4P/c1-9-12(8,10-2)7-3-5-11-6-4-7/h3-6H2,1-2H3
59-35-8	4,6-Dimethyl-2-(5-nitro-2-furyl) pyrimidine	219.1994	C10H9N3O3	C1(=CC(=NC(=N1)C2=CC=C(O2)[N+]([O-])=O)C)C	InChI=1/C10H9N3O3/c1-6-5-7(2)12-10(11-6)8-3-4-9(16-8)13(14)15/h3-5H,1-2H3
551-92-8	1,2-Dimethyl-5-nitroimidazole	141.1292	C5H7N3O2	C1(N(C(C)=NC=1)C)[N+](=O)[O-]	InChI=1/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3
120-61-6	Dimethyl terephthalate	194.1866	C10H10O4	O=C(C1=CC=C(C=C1)C(=O)OC)OC	InChI=1/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
127-19-5	Dimethylacetamide	87.1204	C4H9NO	CN(C)C(C)=O	InChI=1/C4H9NO/c1-4(6)5(2)3/h1-3H3
43033-72-3	6-Dimethylamino-4,4-diphenyl-3-heptanolacetate.HCl	389.9643	C23H32ClNO2	Cl.CC(=O)O[C@@H](CC)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2	InChI=1/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22-;/m0./s1
1095-90-5	6-Dimethylamino-4,4-diphenyl-3-heptanone.HCl	345.9113	C21H28ClNO	O=C(C(C1=CC=CC=C1)(C2=CC=CC=C2)CC(N(C)C)C)CC.[H]Cl	InChI=1/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H
55738-54-0	trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro-2-furyl)vinyl]-1,3,4-oxadiazole	279.2548	C11H13N5O4	CN(C)CNc2nnc(/C=C/c1ccc(o1)[N+]([O-])=O)o2	InChI=1/C11H13N5O4/c1-15(2)7-12-11-14-13-9(20-11)5-3-8-4-6-10(19-8)16(17)18/h3-6H,7H2,1-2H3,(H,12,14)/b5-3+
6120-10-1	4-Dimethylamino-3,5-xylenol	165.2346	C10H15NO	C1=C(C(=C(C=C1O)C)N(C)C)C	InChI=1/C10H15NO/c1-7-5-9(12)6-8(2)10(7)11(3)4/h5-6,12H,1-4H3
58-15-1	4-Dimethylaminoantipyrine	231.2968	C13H17N3O	O=C1N(C2=CC=CC=C2)N(C(=C1N(C)C)C)C	InChI=1/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
108-01-0	2-Dimethylaminoethanol	89.137	C4H11NO	CN(CCO)C	InChI=1/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
142713-78-8	Dimethylaminoethylnitrosoethylurea, nitrite salt	235.2424	C7H17N5O4	O=NN(CCN(C)C)C(=O)[NH2+]CC.[O-]N=O	InChI=1/C7H16N4O2.HNO2/c1-4-8-7(12)11(9-13)6-5-10(2)3;2-1-3/h4-6H2,1-3H3,(H,8,12);(H,2,3)
121-69-7	N,N-Dimethylaniline	121.1816	C8H11N	CN(C1=CC=CC=C1)C	InChI=1/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
75-60-5	Dimethylarsinic acid	137.9977	C2H7AsO2	C[As](=O)(C)O	InChI=1/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
24448-94-0	5,5-Dimethylbarbituric acid	156.1408	C6H8N2O3	C1(C)(C)C(=O)NC(=O)NC1=O	InChI=1/C6H8N2O3/c1-6(2)3(9)7-5(11)8-4(6)10/h1-2H3,(H2,7,8,9,10,11)
57-97-6	7,12-Dimethylbenz(a)anthracene	256.3464	C20H16	CC1=C2C=CC=CC2=C(C3=CC=C4C(=C13)C=CC=C4)C	InChI=1/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3
612-82-8	3,3'-Dimethylbenzidine.2HCl	285.2156	C14H18Cl2N2	C1(C2=CC(=C(N)C=C2)C)(=CC(=C(N)C=C1)C).[H]Cl.[H]Cl	InChI=1/C14H16N2.2ClH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H
79-44-7	Dimethylcarbamyl chloride	107.5395	C3H6ClNO	O=C(N(C)C)Cl	InChI=1/C3H6ClNO/c1-5(2)3(4)6/h1-2H3
598-64-1	Dimethyldithiocarbamic acid, dimethylamine	166.299	C5H14N2S2	C(S)(=S)N(C)C.N(C)C	InChI=1/C3H7NS2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3
1643-20-5	N,N-Dimethyldodecylamine-N-oxide	229.405	C14H31NO	C[N+](CCCCCCCCCCCC)(C)[O-]	InChI=1/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
68-12-2	Dimethylformamide	73.0944	C3H7NO	CN(C=O)C	InChI=1/C3H7NO/c1-4(2)3-5/h3H,1-2H3
57-14-7	1,1-Dimethylhydrazine	60.0986	C2H8N2	CN(C)N	InChI=1/C2H8N2/c1-4(2)3/h3H2,1-2H3
306-37-6	1,2-Dimethylhydrazine.2HCl	133.0204	C2H10Cl2N2	N(NC)C.[HCl].[HCl]	InChI=1/C2H8N2.2ClH/c1-3-4-2;;/h3-4H,1-2H3;2*1H
26049-69-4	2-(2,2-Dimethylhydrazino)-4-(5-nitro-2-furyl)thiazole	254.263	C9H10N4O3S	[O-][N+](C2=CC=C(O2)C1=CSC(NN(C)C)=N1)=O	InChI=1/C9H10N4O3S/c1-12(2)11-9-10-6(5-17-9)7-3-4-8(16-7)13(14)15/h3-5H,1-2H3,(H,10,11)
4164-28-7	Dimethylnitramine	90.0816	C2H6N2O2	[O-][N+](=O)N(C)C	InChI=1/C2H6N2O2/c1-3(2)4(5)6/h1-2H3
513-37-1	Dimethylvinyl chloride	90.5523	C4H7Cl	CC(=CCl)C	InChI=1/C4H7Cl/c1-4(2)3-5/h3H,1-2H3
6119-92-2	Dinitro(1-methylheptyl)phenyl crotonate	364.3974	C18H24N2O6	C(=O)(/C=C/C)OC1=C(C(CCCCCC)C)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O	InChI=1/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+
29110-68-7	2,4-Dinitro-6-tert-butylphenylmethanesulfonate	318.3008	C11H14N2O7S	CS(=O)(=O)OC1=C(C=C(C=C1C(C)(C)C)[N+]([O-])=O)[N+](=O)[O-]	InChI=1/C11H14N2O7S/c1-11(2,3)8-5-7(12(14)15)6-9(13(16)17)10(8)20-21(4,18)19/h5-6H,1-4H3
51-28-5	2,4-Dinitrophenol	184.108	C6H4N2O5	OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]	InChI=1/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
1011-73-0	2,4-Dinitrophenol, sodium	206.08987	C6H3N2NaO5	C1(=CC(=CC=C1[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+]	InChI=1/C6H4N2O5.Na/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;/h1-3,9H;/q;+1/p-1
55557-00-1	Dinitrosohomopiperazine	158.1596	C5H10N4O2	O=NN(CCN1N=O)CCC1	InChI=1/C5H10N4O2/c10-6-8-2-1-3-9(7-11)5-4-8/h1-5H2
101-25-7	N,N-Dinitrosopentamethylenetetramine	185.1852	C6H11N5O2	O=CN1CN2CN(CN(C1)C2)N=O	InChI=1/C6H11N5O2/c12-6-10-2-8-1-9(3-10)5-11(4-8)7-13/h6H,1-5H2
140-79-4	Dinitrosopiperazine	144.1328	C4H8N4O2	O=NN1CCN(N=O)CC1	InChI=1/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2
606-20-2	2,6-Dinitrotoluene	182.1354	C7H6N2O4	CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]	InChI=1/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
121-14-2	2,4-Dinitrotoluene (containing 0.5% 2,6-dinitrotoluene)	182.1354	C7H6N2O4	CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]	InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
121-14-2	2,4-Dinitrotoluene (containing 1.0-1.5% 2,6-dinitrotoluene)	182.1354	C7H6N2O4	CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]	InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
121-14-2	2,4-Dinitrotoluene, practical grade	182.1354	C7H6N2O4	CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]	InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
25321-14-6	Dinitrotoluene, technical grade (2,4 (77%)- and 2,6 (19%)-)				
123-91-1	1,4-Dioxane	88.106	C4H8O2	C1COCCO1	InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
78-34-2	Dioxathion	456.52132	C12H26O6P2S4	S=P(SC1C(SP(=S)(OCC)OCC)OCCO1)(OCC)OCC	InChI=1/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3
971-15-3	Dipentamethylenethiuram hexasulfide	448.7834	C12H20N2S8	S=C(N1CCCCC1)SSSSSSC(=S)N1CCCCC1	InChI=1/C12H20N2S8/c15-11(13-7-3-1-4-8-13)17-19-21-22-20-18-12(16)14-9-5-2-6-10-14/h1-10H2
13256-06-9	Dipentylnitrosamine	186.2966	C10H22N2O	O=NN(CCCCC)CCCCC	InChI=1/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3
147-24-0	Diphenhydramine.HCl	291.8199	C17H22ClNO	C(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN(C)C.[H]Cl	InChI=1/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H
74-31-7	Diphenyl-p-phenylenediamine	260.3378	C18H16N2	N(C1=CC=C(C=C1)NC2=CC=CC=C2)C3=CC=CC=C3	InChI=1/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H
86-29-3	Diphenylacetonitrile	193.2476	C14H11N	N#CC(C1=CC=CC=C1)C2=CC=CC=C2	InChI=1/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
102-09-0	Diphenylcarbonate	214.2202	C13H10O3	O=C(OC1=CC=CC=C1)OC2=CC=CC=C2	InChI=1/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
57-41-0	5,5-Diphenylhydantoin	252.272	C15H12N2O2	O=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)N1	InChI=1/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
NOCAS	N,N-Dipropyl-4-(4'-[pyridyl-1'-oxide]azo)aniline	298.387	C17H22N4O	N(=NC1=CC=C(C=C1)N(CCC)CCC)C2=CC=[N+](C=C2)[O-]	InChI=1/C17H22N4O/c1-3-11-20(12-4-2)17-7-5-15(6-8-17)18-19-16-9-13-21(22)14-10-16/h5-10,13-14H,3-4,11-12H2,1-2H3/b19-18+
68-89-3	Dipyrone	333.33687	C13H16N3NaO4S	N1(C2=CC=CC=C2)C(C(N(CS(=O)(=O)[O-])C)=C(N1C)C)=O.[Na+]	InChI=1/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1
80702-47-2	Disodium 5«-ribonucleotide				
142-46-1	2,5-Dithiobiurea	150.2162	C2H6N4S2	NC(=S)NNC(=S)N	InChI=1/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
79-40-3	Dithiooxamide	120.187	C2H4N2S2	NC(=S)C(=S)N	InChI=1/C2H4N2S2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
NOCAS	3-O-Dodecylcarbomethylascorbic acid	386.4798	C20H34O7	O\C1=C(/OCC(=O)CCCCCCCCCCCC)[C@H](OC1=O)[C@@H](O)CO	InChI=1/C20H34O7/c1-2-3-4-5-6-7-8-9-10-11-12-15(22)14-26-19-17(24)20(25)27-18(19)16(23)13-21/h16,18,21,23-24H,2-14H2,1H3/t16-,18+/m0/s1
2439-10-3	n-Dodecylguanidine acetate	287.4446	C15H33N3O2	C(CCCCCCCC)CCCNC(N)=N.CC(=O)O	InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)
63-84-3	dl-Dopa	197.1902	C9H11NO4	OC1=C(C=CC(=C1)CC(C(=O)O)N)O	InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
62-31-7	Dopamine.HCl	189.6413	C8H12ClNO2	OC1=CC(=CC=C1O)CCN.[HCl]	InChI=1/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H
40762-15-0	Doxefazepam	348.7560632	C17H14ClFN2O3	C1=C(Cl)C=C3C(=C1)N(CCO)C(=O)C(O)N=C3C2=CC=CC=C2F	InChI=1/C17H14ClFN2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2
562-10-7	Doxylamine succinate	388.4626	C21H28N2O5	C(CC(=O)O)C(=O)O.C(OCCN(C)C)(C)(C1=CC=CC=C1)C2=CC=CC=N2	InChI=1/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
3604-87-3	alpha-Ecdysone	464.641	C27H44O6	CC(C)(O)CC[C@@H](O)[C@@H](C)[C@H]2CC[C@@]1(O)C/3=C/C(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]\3CC[C@@]12C	InChI=1/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1
9004-59-5	Edifas A				
9004-32-4	Edifas B				
150-38-9	EDTA, trisodium salt trihydrate	412.23621	C10H19N2Na3O11	C([O-])(=O)CN(CC(=O)O)CCN(CC([O-])=O)CC([O-])=O.[Na+].[Na+].[Na+].[H]O[H].[H]O[H].[H]O[H]	InChI=1/C10H16N2O8.3Na.3H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;3*1H2/q;3*+1;;;/p-3
476-66-4	Ellagic acid	302.1966	C14H6O8	OC1C2=C3C(C(OC4C3=C(C=C(C=4O)O)C(=O)O2)=O)=CC=1O	InChI=1/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
316-42-7	Emetine.2HCl	553.5678	C29H42Cl2N2O4	[C@@]12(C3=C(C=C(OC)C(=C3)OC)CCN1C[C@H](CC)[C@H](C2)C[C@@]4(C5=C(C=C(OC)C(=C5)OC)CCN4)[H])[H].[HCl].[HCl]	InChI=1/C29H40N2O4.2ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H/t18-,21-,24+,25-;;/m0../s1
55965-13-4	Emulsifier YN				
115-29-7	Endosulfan	406.9226	C9H6Cl6O3S	Cl\C2=C(/Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl	InChI=1/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
72-20-8	Endrin	380.9126	C12H8Cl6O	Cl\C2=C(/Cl)C3(Cl)C1C4CC(C1C2(Cl)C3(Cl)Cl)C5OC45	InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2
13838-16-9	Enflurane	184.4932	C3H2ClF5O	FC(C(F)Cl)(OC(F)F)F	InChI=1/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
8015-30-3	Enovid				
8015-30-3	Enovid-E				
134-72-5	Ephedrine sulphate	428.5426	C20H32N2O6S	O=S(O)(O)=O.O[C@@H]([C@H](C)NC)[C@@]1=CC=CC=C1.O[C@@H]([C@H](C)NC)[C@@]2=CC=CC=C2	InChI=1/2C10H15NO.H2O4S/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h2*3-8,10-12H,1-2H3;(H2,1,2,3,4)/t2*8-,10-;/m00./s1
106-89-8	Epichlorohydrin	92.5249	C3H5ClO	ClCC1CO1	InChI=1/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
989-51-5	(-)-Epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate)				
55-31-2	l-Epinephrine.HCl	219.6675	C9H14ClNO3	C1(=C(C=CC(=C1)[C@H](CNC)O)O)O.[HCl]	InChI=1/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H/t9-;/m0./s1
106-88-7	1,2-Epoxybutane	72.1066	C4H8O	CCC1CO1	InChI=1/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
6381-77-7	Erythorbate, sodium	198.10747	C6H7NaO6	OC1(=C(O)C(=O)O[C@H]1[C@@H](C[O-])O).[Na+]	InChI=1/C6H7O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,8-10H,1H2;/q-1;+1/t2-,5-;/m1./s1
643-22-1	Erythromycin stearate	1018.4164	C55H103NO15	CCCCCCCCCCCCCCCCCC(O)=O.CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]3O	InChI=1/C37H67NO13.C18H36O2.H2O/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(2
29975-16-4	Estazolam	294.7383	C16H11ClN4	C1=C(Cl)C=C3C(=C1)N4C(CN=C3C2=CC=CC=C2)=NN=C4	InChI=1/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
50-28-2	Estradiol	272.382	C18H24O2	Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3	InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
22966-79-6	Estradiol mustard	788.6694	C42H50Cl4N2O4	ClCCN(CCCl)c1ccc(cc1)CC(=O)O[C@H]3CC[C@H]4[C@@H]5CCc2cc(OC(=O)N(CCCl)CCCl)ccc2[C@H]5CC[C@]34C	InChI=1/C35H44Cl4N2O4/c1-35-13-12-29-28-9-7-27(44-34(43)41(20-16-38)21-17-39)23-25(28)4-8-30(29)31(35)10-11-32(35)45-33(42)22-24-2-5-26(6-3-24)40(18-14-36)19-15-37/h2-3,5-7,9,23,29-32H,4,8,10-22H2,1H3/t29-,30-,31+,32+,35+/m1/s1
140-67-0	Estragole	148.2042	C10H12O	C=CCC1=CC=C(C=C1)OC	InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
57-63-6	Ethinyl estradiol	296.4034	C20H24O2	Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C)c4cc3	InChI=1/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
536-33-4	Ethionamide	166.2404	C8H10N2S	NC(=S)C1=CC(=NC=C1)CC	InChI=1/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
13073-35-3	Ethionine	163.2342	C6H13NO2S	N[C@@H](CCSCC)C(=O)O	InChI=1/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
67-21-0	dl-Ethionine	163.2342	C6H13NO2S	NC(CCSCC)C(=O)O	InChI=1/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
150-69-6	4-Ethoxy-phenylurea	180.2038	C9H12N2O2	CCOc1ccc(cc1)NC(N)=O	InChI=1/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
938-73-8	o-Ethoxybenzamide	165.1914	C9H11NO2	NC(=O)C1=C(C=CC=C1)OCC	InChI=1/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
91-53-2	Ethoxyquin	217.3102	C14H19NO	CC1=CC(NC2=C1C=C(C=C2)OCC)(C)C	InChI=1/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
140-88-5	Ethyl acrylate	100.117	C5H8O2	O=C(OCC)C=C	InChI=1/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
64-17-5	Ethyl alcohol	46.0688	C2H6O	CCO	InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3
16301-26-1	Z-Ethyl-O,N,N-azoxyethane	102.1358	C4H10N2O	[N+](=N/CC)(/CC)[O-]	InChI=1/C4H10N2O/c1-3-5-6(7)4-2/h3-4H2,1-2H3/b6-5+
57497-29-7	Z-Ethyl-O,N,N-azoxymethane	88.109	C3H8N2O	[N+](=N/C)(/CC)[O-]	InChI=1/C3H8N2O/c1-3-5(6)4-2/h3H2,1-2H3/b5-4+
105-36-2	Ethyl bromoacetate	167.0021	C4H7BrO2	O=C(OCC)CBr	InChI=1/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
2629-59-6	S-Ethyl-l-cysteine	149.2074	C5H11NO2S	O=C(O)[C@@H](N)CCSCC	InChI=1/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
72-56-0	p,p'-Ethyl-DDD	307.262	C18H20Cl2	ClC(C(C1=CC=C(C=C1)CC)C2=CC=C(C=C2)CC)Cl	InChI=1/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3
74920-78-8	N-Ethyl-N-formylhydrazine	88.109	C3H8N2O	N(N)(CC)C=O	InChI=1/C3H8N2O/c1-2-5(4)3-6/h3H,2,4H2,1H3
77-83-8	Ethyl methylphenylglycidate	206.2408	C12H14O3	CC1(C2=CC=CC=C2)C(O1)C(=O)OCC	InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
63885-23-4	N-Ethyl-N'-nitro-N-nitrosoguanidine	161.12	C3H7N5O3	N=C(N(CC)N=O)N[N+]([O-])=O	InChI=1/C3H7N5O3/c1-2-7(6-9)3(4)5-8(10)11/h2H2,1H3,(H2,4,5)
759-73-9	1-Ethyl-1-nitrosourea	117.1072	C3H7N3O2	NC(=O)N(CC)N=O	InChI=1/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
20941-65-5	Ethyl tellurac	720.6428	C20H40N4S8Te	S=C(S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC)N(CC)CC	InChI=1/C20H40N4S8Te/c1-9-21(10-2)17(25)29-33(30-18(26)22(11-3)12-4,31-19(27)23(13-5)14-6)32-20(28)24(15-7)16-8/h9-16H2,1-8H3
86404-04-8	3-O-Ethylascorbic acid	204.1792	C8H12O6	O[C@@H](CO)[C@@H](O1)C(OCC)=C(O)C1=O	InChI=1/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
100-41-4	Ethylbenzene	106.167	C8H10	CCC1=CC=CC=C1	InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
107-21-1	Ethylene glycol	62.0682	C2H6O2	C(CO)O	InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H2
1072-53-3	Ethylene glycol, cyclic sulfate	124.1112	C2H4O4S	C1COS(O1)(=O)=O	InChI=1/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2
151-56-4	Ethylene imine	43.0682	C2H5N	C1CN1	InChI=1/C2H5N/c1-2-3-1/h3H,1-2H2
75-21-8	Ethylene oxide	44.053	C2H4O	C1CO1	InChI=1/C2H4O/c1-2-3-1/h1-2H2
96-45-7	Ethylene thiourea	102.1538	C3H6N2S	S=C1NCCN1	InChI=1/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
120-93-4	Ethylene urea	86.0932	C3H6N2O	O=C1NCCN1	InChI=1/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
142-59-6	Ethylenebisdithiocarbamate, disodium	256.32434	C4H6N2Na2S4	[Na+].[Na+].S=C(NCCNC(=S)[S-])[S-]	InChI=1/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2
106-87-6	1-Ethyleneoxy-3,4-epoxycyclohexane	140.1816	C8H12O2	O1C2C1CCC(C2)C1CO1	InChI=1/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2
104-76-7	2-Ethylhexanol	130.2279	C8H18O	CCC(CCCC)CO	InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
103-23-1	di(2-Ethylhexyl)adipate	370.5714	C22H42O4	CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC	InChI=1/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
117-81-7	di(2-Ethylhexyl)phthalate	390.5618	C24H38O4	O=C(C1=C(C=CC=C1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC	InChI=1/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
18413-14-4	Ethylhydrazine.HCl	96.5595	C2H9ClN2	CCNN.[HCl]	InChI=1/C2H8N2.ClH/c1-2-4-3;/h4H,2-3H2,1H3;1H
96724-44-6	1-Ethylnitroso-3-(2-hydroxyethyl)-urea	161.1602	C5H11N3O3	O=C(N(CC)N=O)NCCO	InChI=1/C5H11N3O3/c1-2-8(7-11)5(10)6-3-4-9/h9H,2-4H2,1H3,(H,6,10)
110559-84-7	1-Ethylnitroso-3-(2-oxopropyl)-urea	173.1712	C6H11N3O3	O=C(N(CC)N=O)NCC(=O)C	InChI=1/C6H11N3O3/c1-3-9(8-12)6(11)7-4-5(2)10/h3-4H2,1-2H3,(H,7,11)
38434-77-4	Ethylnitrosocyanamide	99.092	C3H5N3O	N#CN(CC)N=O	InChI=1/C3H5N3O/c1-2-6(3-4)5-7/h2H2,1H3
90-49-3	Ethylphenylacetylurea	206.2438	C11H14N2O2	O=C(C(C1=CC=CC=C1)CC)NC(=O)N	InChI=1/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)
842-00-2	4-Ethylsulphonylnaphthalene-1-sulfonamide	299.359	C12H13NO4S2	S(CC)(=O)(=O)C1C2=C(C(=CC=1)S(N)(=O)=O)C=CC=C2	InChI=1/C12H13NO4S2/c1-2-18(14,15)11-7-8-12(19(13,16)17)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H2,13,16,17)
297-76-7	Ethynodiol diacetate	384.5085	C24H32O4	CC(=O)O[C@H]\1CC[C@H]4C(=C/1)/CC[C@@H]2[C@@H]4CC[C@]3(C)[C@@](CC[C@@H]23)(C#C)OC(C)=O	InChI=1/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
41340-25-4	Etodolac	287.3578	C17H21NO3	CCC1(C2=C(C3=C(C(=CC=C3)CC)N2)CCO1)CC(=O)O	InChI=1/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
470-82-6	Eucalyptol	154.2516	C10H18O	CC2(C)OC1(C)CCC2CC1	InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
97-53-0	Eugenol	164.2036	C10H12O2	OC1=C(C=C(C=C1)CC=C)OC	InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
102676-31-3	Fadrozole.HCl	259.7341	C14H14ClN3	Cl.N#Cc1ccc(cc1)C3CCCc2cncn23	InChI=1/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H
140-56-7	Fenaminosulf, formulated	229.2532	C8H11N3O3S	[Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1	InChI=1/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1/b10-9+;
55-38-9	Fenthion	278.32046	C10H15O3PS2	S=P(OC1=CC(=C(C=C1)SC)C)(OC)OC	InChI=1/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3
51630-58-1	Fenvalerate	419.9067	C25H22ClNO3	O=C(C(C1=CC=C(C=C1)Cl)C(C)C)OC(C2=CC=CC(=C2)OC3=CC=CC=C3)C#N	InChI=1/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
7705-08-0	Ferric chloride	162.204	Cl3Fe	.[Cl-].[Fe+3].[Cl-].[Cl-]	InChI=1/3ClH.Fe/h3*1H;/q;;;+3/p-3
2338-05-8	Ferric citrate tetrahydrate	320.0308	C6H16FeO11+3	[Fe+3].O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O.O.O.O.O	InChI=1/C6H8O7.Fe.4H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;4*1H2/q;+3;;;;/p-3
14484-64-1	Ferric dimethyldithiocarbamate	416.4663	C9H18FeN3S6	N(C)(C)C([S-])=S.[Fe+3].[S-]C(=S)N(C)C.[S-]C(=S)N(C)C	InChI=1/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
98319-26-7	Finasteride	372.5441	C23H36N2O2	CC(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)\C=C/[C@]12C	InChI=1/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
54143-56-5	Flecainide acetate	474.3994	C19H24F6N2O5	C1(C(NCC2CCCCN2)=O)=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F.CC(=O)O	InChI=1/C17H20F6N2O3.C2H4O2/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11;1-2(3)4/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26);1H3,(H,3,4)
86386-73-4	Fluconazole	306.2742	C13H12F2N6O	N1C=NN(C=1)CC(CN2N=CN=C2)(C3=C(C=C(C=C3)F)F)O	InChI=1/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
2164-17-2	Fluometuron	232.2049	C10H11F3N2O	O=C(NC1=CC=CC(=C1)C(F)(F)F)N(C)C	InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
363-17-7	N-(2-Fluorenyl)-2,2,2-trifluoroacetamide	277.2453	C15H10F3NO	O=C(C(F)(F)F)NC1=CC3=C(C2=CC=CC=C2C3)C=C1	InChI=1/C15H10F3NO/c16-15(17,18)14(20)19-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H,19,20)
7681-49-4	Fluoride, sodium	41.98817	FNa	.[Na+].[F-]	InChI=1/FH.Na/h1H;/q;+1/p-1
324-93-6	4'-Fluoro-4-aminodiphenyl	187.2161	C12H10FN	NC1=CC=C(C=C1)C2=CC=C(C=C2)F	InChI=1/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2
398-32-3	N-4-(4'-Fluorobiphenyl)acetamide	229.2533	C14H12FNO	CC(NC1=CC=C(C2=CC=C(F)C=C2)C=C1)=O	InChI=1/C14H12FNO/c1-10(17)16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9H,1H3,(H,16,17)
69112-98-7	2-Fluoroethyl-nitrosourea	135.0977	C3H6FN3O2	O=C(N(CCF)N=O)N	InChI=1/C3H6FN3O2/c4-1-2-7(6-9)3(5)8/h1-2H2,(H2,5,8)
51-21-8	5-Fluorouracil	130.0783	C4H3FN2O2	O=C1C(=CNC(=O)N1)F	InChI=1/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
59333-67-4	Fluoxetine.HCl	345.7914	C17H19ClF3NO	C(NC)CC(OC1=CC=C(C=C1)C(F)(F)F)C2=CC=CC=C2.[HCl]	InChI=1/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H
93957-54-1	Fluvastatin	411.4721	C24H26FNO4	O=C(C[C@@H](C[C@@H](/C=C/C1=C(C2=C(N1C(C)C)C=CC=C2)C3=CC=C(C=C3)F)O)O)O	InChI=1/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1
50-00-0	Formaldehyde	30.0262	CH2O	C=O	InChI=1/CH2O/c1-2/h1H2
31873-81-1	Formic acid 2-[4-(2-furyl)-2-thiazolyl]hydrazide	209.2222	C8H7N3O2S	O=CNNC1=NC(C2=CC=CO2)=CS1	InChI=1/C8H7N3O2S/c12-5-9-11-8-10-6(4-14-8)7-2-1-3-13-7/h1-5H,(H,9,12)(H,10,11)
32852-21-4	Formic acid 2-(4-methyl-2-thiazolyl)hydrazide	157.1898	C5H7N3OS	C1(C)=CSC(=N1)NNC=O	InChI=1/C5H7N3OS/c1-4-2-10-5(7-4)8-6-3-9/h2-3H,1H3,(H,6,9)(H,7,8)
3570-75-0	Formic acid 2-[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazide	254.2198	C8H6N4O4S	[O-][N+](=O)C1=CC=C(O1)C2=CSC(=N2)NNC=O	InChI=1/C8H6N4O4S/c13-4-9-11-8-10-5(3-17-8)6-1-2-7(16-6)12(14)15/h1-4H,(H,9,13)(H,10,11)
2302-84-3	1-Formyl-3-thiosemicarbazide	119.141	C2H5N3OS	NC(=S)NNC=O	InChI=1/C2H5N3OS/c3-2(7)5-4-1-6/h1H,(H,4,6)(H3,3,5,7)
624-84-0	Formylhydrazine	60.0554	CH4N2O	O=CNN	InChI=1/CH4N2O/c2-3-1-4/h1H,2H2,(H,3,4)
39148-24-8	Fosetyl Al	354.10562	C6H18AlO9P3	[Al+3].[O-]P(=O)OCC.[O-]P(=O)OCC.[O-]P(=O)OCC	InChI=1/3C2H7O3P.Al/c3*1-2-5-6(3)4;/h3*6H,2H2,1H3,(H,3,4);/q;;;+3/p-3
116355-83-0	Fumonisin B1	721.8378	C34H59NO15	CC(N)C(O)CC(O)CCCCC(O)CC(C)CC(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCC)OC(=O)CC(CC(O)=O)C(O)=O	InChI=1/C34H59NO15/c1-5-8-19(2)12-27(49-31(43)16-22(33(45)46)14-29(39)40)28(50-32(44)17-23(34(47)48)15-30(41)42)13-20(3)11-24(36)9-6-7-10-25(37)18-26(38)21(4)35/h19-28,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)
2411-74-7	2-Furaldehyde semicarbazone	153.1402	C6H7N3O2	NC(=O)NN=CC1=CC=CO1	InChI=1/C6H7N3O2/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4+
110-00-9	Furan	68.075	C4H4O	C1=COC=C1	InChI=1/C4H4O/c1-2-4-5-3-1/h1-4H
98-01-1	Furfural	96.0854	C5H4O2	O=CC1=CC=CO1	InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
54-31-9	Furosemide	330.7423	C12H11ClN2O5S	NS(C1=C(Cl)C=C(NCC2=CC=CO2)C(C(O)=O)=C1)(=O)=O	InChI=1/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
23255-69-8	Fusarenon-X	354.356	C17H22O8	C[C@]12[C@@]3(C(OC4[C@@]1(C(C(=O)C(=C4)C)O)CO)[C@@H]([C@@H]2OC(=O)C)O)CO3	InChI=1/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9?,11-,12?,13-,14?,15-,16+,17+/m1/s1
149-91-7	Gallic acid	170.1214	C7H6O5	OC(=O)C1=CC(=C(C(=C1)O)O)O	InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
35449-36-6	Gemcadiol	230.3898	C14H30O2	CC(C)(CO)CCCCCCC(C)(C)CO	InChI=1/C14H30O2/c1-13(2,11-15)9-7-5-6-8-10-14(3,4)12-16/h15-16H,5-12H2,1-4H3
25812-30-0	Gemfibrozil	250.337	C15H22O3	CC1=C(C=C(C=C1)C)OCCCC(C(=O)O)(C)C	InChI=1/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
548-62-9	Gentian violet	407.9788	C25H30ClN3	[Cl-].C/[N+](C)=C1\C=C/C(C=C1)=C(\c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C	InChI=1/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
NOCAS	Geranyl acetate, food grade (71% geranyl acetate, 29% citronellyl acetate)				
12025-19-3	Germanate, sodium				
77-06-5	Gibberellic acid	346.3792	C19H22O6	OC(=O)[C@@H]3[C@]51C[C@@](O)(CC[C@H]1[C@@]24\C=C/[C@H](O)[C@@](C)(C(=O)O2)[C@@H]34)C(=C)C5	InChI=1/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
67730-11-4	Glu-P-1	198.2268	C11H10N4	N1C2=C(N3C=1/C(=C\C=C/3)C)N=C(C=C2)N	InChI=1/C11H10N4/c1-7-3-2-6-15-10(7)13-8-4-5-9(12)14-11(8)15/h2-6H,1H3,(H2,12,14)
67730-10-3	Glu-P-2	184.2	C10H8N4	N12C3=C(C=CC(=N3)N)N=C1C=CC=C2	InChI=1/C10H8N4/c11-8-5-4-7-10(13-8)14-6-2-1-3-9(14)12-7/h1-6H,(H2,11,13)
56-86-0	l-Glutamic acid	147.1293	C5H9NO4	O=C(O)CC[C@H](N)C(O)=O	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
NOCAS	N2-gamma-Glutamyl-p-hydrazinobenzoic acid	281.2676	C12H15N3O5	N(NC(CC[C@H](N)C(=O)O)=O)C1C=CC(=CC=1)C(=O)O	InChI=1/C12H15N3O5/c13-9(12(19)20)5-6-10(16)15-14-8-3-1-7(2-4-8)11(17)18/h1-4,9,14H,5-6,13H2,(H,15,16)(H,17,18)(H,19,20)/t9-/m0/s1
2757-90-6	beta-N-[gamma-l(+)-Glutamyl]-4-hydroxymethylphenylhydrazine	267.284	C12H17N3O4	C1=CC(=CC=C1NNC(CC[C@@H](C(O)=O)N)=O)CO	InChI=1/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)/t10-/m0/s1
56-81-5	Glycerin, natural				
56-81-5	Glycerin, synthetic	92.0938	C3H8O3	OCC(O)CO	InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
96-24-2	Glycerol alpha-monochlorohydrin	110.5401	C3H7ClO2	OC(CO)CCl	InChI=1/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
765-34-4	Glycidaldehyde	72.0634	C3H4O2	O=C[CH]1CO1	InChI=1/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2
556-52-5	Glycidol	74.0792	C3H6O2	OCC1CO1	InChI=1/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2
56-40-6	Glycine	75.0666	C2H5NO2	NCC(O)=O	InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
3741-38-6	Glycol sulfite	108.1118	C2H4O3S	O=S1OCCO1	InChI=1/C2H4O3S/c3-6-4-1-2-5-6/h1-2H2
471-53-4	Glycyrrhetinic acid	470.691	C30H46O4	OC(=O)[C@]3(C)C[C@H]4/C5=C/C(=O)[C@H]2[C@@](C)(CC[C@@H]1[C@]2(C)CC[C@H](O)C1(C)C)[C@]5(C)CC[C@@]4(C)CC3	InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
71277-79-7	Glycyrrhizinate, disodium	866.90594	C42H60Na2O16	[Na+].[Na+].OC(=O)[C@]5(C)C[C@H]6/C7=C/C(=O)[C@H]4[C@@](C)(CC[C@@H]3[C@]4(C)CC[C@H](OC2O[C@H](C([O-])=O)[C@@H](O)[C@H](O)[C@H]2O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)C3(C)C)[C@]7(C)CC[C@@]6(C)CC5	InChI=1/C42H62O16.2Na/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22
4680-78-8	FD & C green no. 1	690.80307	C37H35N2NaO6S2	C(/C1=CC=C(C=C1)N(CC2=CC(=CC=C2)S(=O)(=O)[O-])CC)(=C3\C=C/C(C=C3)=[N+](\CC4=CC(=CC=C4)S(=O)(=O)[O-])CC)C5=CC=CC=C5.[Na+]	InChI=1/C37H36N2O6S2.Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1
5141-20-8	FD & C green no. 2	792.84314	C37H34N2Na2O9S3	O=S(=O)(C1=CC=C(C=C1)/C(=C2\C=C/C(=[N+](/CC3=CC(=CC=C3)S(=O)(=O)[O-])CC)C=C2)C4=CC=C(C=C4)N(CC5=CC(=CC=C5)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]	I
2353-45-9	FD & C green no. 3	808.84254	C37H34N2Na2O10S3	C(/C1=C(C=C(C=C1)O)S(=O)(=O)[O-])(C2=CC=C(C=C2)N(CC3=CC(=CC=C3)S(=O)(=O)[O-])CC)=C4/C=C/C(C=C4)=[N+](\CC5=CC(=CC=C5)S(=O)(=O)[O-])CC.[Na+].[Na+]	InCh
126-07-8	Griseofulvin	352.7663	C17H17ClO6	O=C2c3c(O[C@]12C(=C/C(=O)C[C@H]1C)\OC)c(Cl)c(OC)cc3OC	InChI=1/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
9000-30-0	Guar gum				
9000-01-5	Gum arabic				
NOCAS	HCDD mixture				
517-28-2	Hematoxylin	302.283	C16H14O6	Oc2cc3C[C@]4(O)COc1c(O)c(O)ccc1[C@@H]4c3cc2O	InChI=1/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m1/s1
76-44-8	Heptachlor	373.3205	C10H5Cl7	ClC1/C=C\C2C1C3(Cl)C(/Cl)=C(/Cl)C2(Cl)C3(Cl)Cl	InChI=1/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H
1121-92-2	Heptamethyleneimine	113.2022	C7H15N	C1CCCNCCC1	InChI=1/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2
111-68-2	Heptylamine	115.218	C7H17N	CCCCCCCN	InChI=1/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
118-74-1	Hexachlorobenzene	284.784	C6Cl6	ClC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	InChI=1/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
87-68-3	Hexachlorobutadiene	260.762	C4Cl6	ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl	InChI=1/C4Cl6/c5-1(3(7)8)2(6)4(9)10
319-84-6	alpha-1,2,3,4,5,6-Hexachlorocyclohexane	290.8314	C6H6Cl6	Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl	InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m1/s1
319-85-7	beta-1,2,3,4,5,6-Hexachlorocyclohexane	290.8314	C6H6Cl6	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-
58-89-9	gamma-1,2,3,4,5,6-Hexachlorocyclohexane	290.8314	C6H6Cl6	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+
608-73-1	Hexachlorocyclohexane, technical grade	290.8314	C6H6Cl6	ClC1C(C(C(Cl)C(C1Cl)Cl)Cl)Cl	InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
77-47-4	Hexachlorocyclopentadiene	272.773	C5Cl6	ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl	InChI=1/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8
67-72-1	Hexachloroethane	236.74	C2Cl6	ClC(C(Cl)(Cl)Cl)(Cl)Cl	InChI=1/C2Cl6/c3-1(4,5)2(6,7)8
70-30-4	Hexachlorophene	406.9072	C13H6Cl6O2	OC1=C(C=C(C(=C1CC2=C(C(=CC(=C2Cl)Cl)Cl)O)Cl)Cl)Cl	InChI=1/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
2163-79-3	3-(Hexahydro-4,7-methanoindan-5-yl)-1,1-dimethylurea	222.3296	C13H22N2O	C12C(C3C(CC1C3)NC(N(C)C)=O)CCC2	InChI=1/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)
100-97-0	Hexamethylenetetramine	140.1876	C6H12N4	C1N2CN3CN(C2)CN1C3	InChI=1/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
531-18-0	Hexamethylmelamine	306.2778	C9H18N6O6	N1=C(N=C(N(CO)CO)N=C1N(CO)CO)N(CO)CO	InChI=1/C9H18N6O6/c16-1-13(2-17)7-10-8(14(3-18)4-19)12-9(11-7)15(5-20)6-21/h16-21H,1-6H2
680-31-9	Hexamethylphosphoramide	179.2004	C6H18N3OP	CN(C)P(=O)(N(C)C)N(C)C	InChI=1/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
57590-22-4	Hexanal methylformylhydrazone	156.2272	C8H16N2O	CCCCC/C=N/N(C=O)C	InChI=1/C8H16N2O/c1-3-4-5-6-7-9-10(2)8-11/h7-8H,3-6H2,1-2H3/b9-7+
628-02-4	Hexanamide	115.1748	C6H13NO	NC(=O)CCCCC	InChI=1/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
148081-72-5	1-O-Hexyl-2,3,5-trimethylhydroquinone	236.3534	C15H24O2	C1(=CC(=C(C(=C1C)C)O)C)OCCCCCC	InChI=1/C15H24O2/c1-5-6-7-8-9-17-14-10-11(2)15(16)13(4)12(14)3/h10,16H,5-9H2,1-4H3
18774-85-1	N-Hexylnitrosourea	173.2144	C7H15N3O2	O=C(N(CCCCCC)N=O)N	InChI=1/C7H15N3O2/c1-2-3-4-5-6-10(9-12)7(8)11/h2-6H2,1H3,(H2,8,11)
136-77-6	4-Hexylresorcinol	194.273	C12H18O2	OC1=C(C=CC(=C1)O)CCCCCC	InChI=1/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
645-35-2	l-Histidine.HCl	155.1546	C6H9N3O2	N[C@@H](C\C1=C\N=C/N1)C(O)=O.Cl	InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
1415-93-6	Humic acids, commercial grade				
302-01-2	Hydrazine	32.045	H4N2	NN	InChI=1/H4N2/c1-2/h1-2H2
10034-93-2	Hydrazine sulfate	130.1184	H6N2O4S	OS(=O)(=O)O.NN	InChI=1/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)
26049-71-8	2-Hydrazino-4-(p-aminophenyl) thiazole	206.2648	C9H10N4S	C1(N=C(SC=1)NN)C2=CC=C(C=C2)N	InChI=1/C9H10N4S/c10-7-3-1-6(2-4-7)8-5-14-9(12-8)13-11/h1-5H,10-11H2,(H,12,13)
26049-68-3	2-Hydrazino-4-(5-nitro-2-furyl)thiazole	226.2094	C7H6N4O3S	NNC1=NC(=CS1)C2=CC=C(O2)[N+]([O-])=O	InChI=1/C7H6N4O3S/c8-10-7-9-4(3-15-7)5-1-2-6(14-5)11(12)13/h1-3H,8H2,(H,9,10)
26049-70-7	2-Hydrazino-4-(p-nitrophenyl) thiazole	236.2478	C9H8N4O2S	NNC1=NC(C2=CC=C([N+]([O-])=O)C=C2)=CS1	InChI=1/C9H8N4O2S/c10-12-9-11-8(5-16-9)6-1-3-7(4-2-6)13(14)15/h1-5H,10H2,(H,11,12)
34176-52-8	2-Hydrazino-4-phenylthiazole	191.2502	C9H9N3S	NNC1=NC(=CS1)C2=CC=CC=C2	InChI=1/C9H9N3S/c10-12-9-11-8(6-13-9)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)
619-67-0	p-Hydrazinobenzoic acid	152.1524	C7H8N2O2	OC(=O)C1=CC=C(C=C1)NN	InChI=1/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11)
24589-77-3	p-Hydrazinobenzoic acid.HCl	188.6133	C7H9ClN2O2	C1(=CC=C(NN)C=C1)C(O)=O.[H]Cl	InChI=1/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
122-66-7	Hydrazobenzene	184.2402	C12H12N2	N(C1=CC=CC=C1)NC2=CC=CC=C2	InChI=1/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H
7647-01-0	Hydrochloric acid	36.4609	ClH	Cl	InChI=1/ClH/h1H
306-83-2	Hydrochlorofluorocarbon 123	152.9305	C2HCl2F3	ClC(Cl)C(F)(F)F	InChI=1/C2HCl2F3/c3-1(4)2(5,6)7/h1H
58-93-5	Hydrochlorothiazide	297.7309	C7H8ClN3O4S2	O=S1(=O)C2=C(C=C(C(=C2)S(=O)(=O)N)Cl)NCN1	InChI=1/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
50-23-7	Hydrocortisone	362.465	C21H30O5	OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4[C@@H](O)C[C@]23C	InChI=1/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
7722-84-1	Hydrogen peroxide	34.0146	H2O2	OO	InChI=1/H2O2/c1-2/h1-2H
123-31-9	Hydroquinone	110.1122	C6H6O2	OC1=CC=C(C=C1)O	InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
103-16-2	Hydroquinone monobenzyl ether	200.2366	C13H12O2	OC1=CC=C(C=C1)OCC2=CC=CC=C2	InChI=1/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2
4463-22-3	3-Hydroxy-4-acetylaminobiphenyl	227.2622	C14H13NO2	C1(C2=CC=CC=C2)=CC(=C(C=C1)NC(=O)C)O	InChI=1/C14H13NO2/c1-10(16)15-13-8-7-12(9-14(13)17)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,15,16)
53-95-2	N-Hydroxy-2-acetylaminofluorene	239.2732	C15H13NO2	CC(=O)N(O)C1=CC2=C(C=C1)C3=CC=CC=C3C2	InChI=1/C15H13NO2/c1-10(17)16(18)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9,18H,8H2,1H3
4363-03-5	3-Hydroxy-4-aminobiphenyl	185.225	C12H11NO	C1(C2=CC=CC=C2)=CC(=C(C=C1)N)O	InChI=1/C12H11NO/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2
1083-57-4	3-Hydroxy-p-butyrophenetidide	223.2712	C12H17NO3	O=C(NC1=CC=C(C=C1)OCC)CC(C)O	InChI=1/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)
129-43-1	1-Hydroxyanthraquinone	224.2154	C14H8O3	O=C1C2=C(C=CC=C2C(=O)C3=C1C=CC=C3)O	InChI=1/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H
51410-44-7	1'-Hydroxyestragole	164.2036	C10H12O2	C=CC(C1=CC=C(C=C1)OC)O	InChI=1/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h3-7,10-11H,1H2,2H3
5036-03-3	1-(2-Hydroxyethyl)-3-[(5-nitrofurfurylidene)amino]-2-imidazolidinone	268.2286	C10H12N4O5	N(=C/C1OC(=CC=1)[N+](=O)[O-])/N2C(=O)N(CC2)CCO	InChI=1/C10H12N4O5/c15-6-5-12-3-4-13(10(12)16)11-7-8-1-2-9(19-8)14(17)18/h1-2,7,15H,3-6H2/b11-7-
96724-45-7	1-(2-Hydroxyethyl)-nitroso-3-ethylurea	161.1602	C5H11N3O3	O=C(N(CCO)N=O)NCC	InChI=1/C5H11N3O3/c1-2-6-5(10)8(7-11)3-4-9/h9H,2-4H2,1H3,(H,6,10)
13743-07-2	1-(2-Hydroxyethyl)-1-nitrosourea	133.1066	C3H7N3O3	O=C(N(CCO)N=O)N	InChI=1/C3H7N3O3/c4-3(8)6(5-9)1-2-7/h7H,1-2H2,(H2,4,8)
33389-36-5	4-(2-Hydroxyethylamino)-2-(5-nitro-2-thienyl)quinazoline	316.3338	C14H12N4O3S	OCCNC2=C1C=CC=CC1=NC(C3=CC=C([N+]([O-])=O)S3)=N2	InChI=1/C14H12N4O3S/c19-8-7-15-13-9-3-1-2-4-10(9)16-14(17-13)11-5-6-12(22-11)18(20)21/h1-6,19H,7-8H2,(H,15,16,17)
109-84-2	2-Hydroxyethylhydrazine	76.098	C2H8N2O	OCCNN	InChI=1/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2
71752-70-0	1-(3-Hydroxypropyl)-1-nitrosourea	147.1334	C4H9N3O3	O=C(N(CCCO)N=O)N	InChI=1/C4H9N3O3/c5-4(9)7(6-10)2-1-3-8/h8H,1-3H2,(H2,5,9)
148-24-3	8-Hydroxyquinoline	145.1604	C9H7NO	OC1=CC=CC2=CC=CN=C12	InChI=1/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
5208-87-7	1'-Hydroxysafrole	178.1872	C10H10O3	OC(C=C)C1=CC=C2OCOC2=C1	InChI=1/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h2-5,8,11H,1,6H2
15687-27-1	Ibuprofen	206.284	C13H18O2	CC(C1=CC=C(C=C1)CC(C)C)C(=O)O	InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
21416-87-5	ICRF-159	268.2718	C11H16N4O4	CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	InChI=1/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)
84545-30-2	3-((Imino((2,2,2-trifluoroethyl)amino)methyl)amino)1H-pyrazole-1-pentamide	306.2875	C11H17F3N6O	FC(F)(F)CNC(=N)Nc1ccn(CCCCC(N)=O)n1	InChI=1/C11H17F3N6O/c12-11(13,14)7-17-10(16)18-9-4-6-20(19-9)5-2-1-3-8(15)21/h4,6H,1-3,5,7H2,(H2,15,21)(H3,16,17,18,19)
3458-22-8	3,3'-Iminobis-1-propanoldimethanesulfonate(ester).HCl	325.8221	C8H20ClNO6S2	CS(=O)(=O)OCCCNCCCOS(C)(=O)=O.[HCl]	InChI=1/C8H19NO6S2.ClH/c1-16(10,11)14-7-3-5-9-6-4-8-15-17(2,12)13;/h9H,3-8H2,1-2H3;1H
32607-00-4	Iminodiacetic acid, monosodium	155.08547	C4H6NNaO4	N(CC(=O)[O-])CC(=O)O.[Na+]	InChI=1/C4H7NO4.Na/c6-3(7)1-5-2-4(8)9;/h5H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1
120-72-9	Indole	117.1479	C8H7N	c1cccc2N\C=C/c12	InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
87-51-4	Indole-3-acetic acid	175.1866	C10H9NO2	OC(=O)CC1=CNC2=C1C=CC=C2	InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
100643-96-7	Indolidan	257.2914	C14H15N3O2	O=C(NC2=C1C=C(C3=NNC(CC3)=O)C=C2)C1(C)C	InChI=1/C14H15N3O2/c1-14(2)9-7-8(3-4-11(9)15-13(14)19)10-5-6-12(18)17-16-10/h3-4,7H,5-6H2,1-2H3,(H,15,19)(H,17,18)
53-86-1	Indomethacin	357.7927	C19H16ClNO4	CC1=C(C2=C(C=CC(=C2)OC)N1C(=O)C3=CC=C(C=C3)Cl)CC(=O)O	InChI=1/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
5634-39-9	Iodinated glycerol	258.0556	C6H11IO3	C1C(OC(O1)C(C)I)CO	InChI=1/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3
144-48-9	Iodoacetamide	184.9642	C2H4INO	NC(=O)CI	InChI=1/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)
75-47-8	Iodoform	393.7324	CHI3	IC(I)I	InChI=1/CHI3/c2-1(3)4/h1H
115436-74-3	Ipazilide fumarate	506.6004	C28H34N4O5	O=C(NCCCN(CC)CC)CN1N=CC(C3=CC=CC=C3)=C1C2=CC=CC=C2.O=C(O)/C([H])=C([H])/C(O)=O	InChI=1/C24H30N4O.C4H4O4/c1-3-27(4-2)17-11-16-25-23(29)19-28-24(21-14-9-6-10-15-21)22(18-26-28)20-12-7-5-8-13-20;5-3(6)1-2-4(7)8/h5-10,12-15,18H,3-4,11,16-17,19H2,1-2H3,(H,25,29);1-2H,(H,5,6)(H,7,8)/b;2-1+
76180-96-6	IQ	198.2268	C11H10N4	NC1=NC(C3=C(N=CC=C3)C=C2)=C2N1C	InChI=1/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
NOCAS	IQ.HCl	234.6877	C11H11ClN4	NC1=NC(C3=C(N=CC=C3)C=C2)=C2N1C.[H]Cl	InChI=1/C11H10N4.ClH/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12;/h2-6H,1H3,(H2,12,14);1H
15503-86-3	Isatidine	367.3936	C18H25NO7	O=C(O[C@@H]1CC[N+]2([O-])[C@@]([H])1C3=CC2)\C(C[C@@H](C)[C@](O)(CO)C(OC3)=O)=C([H])/C	InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1
115-11-7	Isobutene	56.1063	C4H8	CC(C)=C	InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3
4247-02-3	Isobutyl p-hydroxybenzoate	194.2298	C11H14O3	C1(C(OCC(C)C)=O)=CC=C(O)C=C1	InChI=1/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
542-56-3	Isobutyl nitrite	103.1206	C4H9NO2	CC(CON=O)C	InChI=1/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3
5461-85-8	N-Isobutyl-N'-nitro-N-nitrosoguanidine	189.1736	C5H11N5O3	CC(C)CN(N=O)C(=N)N[N+]([O-])=O	InChI=1/C5H11N5O3/c1-4(2)3-9(8-11)5(6)7-10(12)13/h4H,3H2,1-2H3,(H2,6,7)
26675-46-7	Isoflurane	184.4932	C3H2ClF5O	FC(C(OC(F)F)Cl)(F)F	InChI=1/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
64519-82-0	Isomalt	344.315	C12H24O11	OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
86315-52-8	Isomazole	287.3356	C14H13N3O2S	COC1C=C(C=CC=1C2NC3=CN=CC=C3N=2)S(C)=O	InChI=1/C14H13N3O2S/c1-19-13-7-9(20(2)18)3-4-10(13)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)
54-85-3	Isoniazid	137.1408	C6H7N3O	O=C(C1=CC=NC=C1)NN	InChI=1/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
1453-82-3	Isonicotinamide	122.1262	C6H6N2O	NC(=O)C1=CC=NC=C1	InChI=1/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
55-22-1	Isonicotinic acid	123.111	C6H5NO2	OC(=O)C1=CC=NC=C1	InChI=1/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
149-17-7	Isonicotinic acid vanillylidenehydrazide	271.275	C14H13N3O3	COC1=C(O)C=CC(=C1)C=NNC(=O)C2=CC=NC=C2	InChI=1/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+
78-59-1	Isophorone	138.209	C9H14O	CC1(CC(=CC(=O)C1)C)C	InChI=1/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
3778-73-2	Isophosphamide	261.08746	C7H15Cl2N2O2P	ClCCN[P]1(=O)OCCCN1CCCl	InChI=1/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)
78-79-5	Isoprene	68.1182	C5H8	CC(=C)C=C	InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
67-63-0	Isopropanol	60.095	C3H8O	OC(C)C	InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3
101-73-5	p-Isopropoxydiphenylamine	227.3054	C15H17NO	CC(OC1=CC=C(C=C1)NC2=CC=CC=C2)C	InChI=1/C15H17NO/c1-12(2)17-15-10-8-14(9-11-15)16-13-6-4-3-5-7-13/h3-12,16H,1-2H3
101-21-3	Isopropyl-N-(3-chlorophenyl) carbamate	213.6633	C10H12ClNO2	O=C(NC1=CC=CC(=C1)Cl)OC(C)C	InChI=1/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
119-38-0	1-Isopropyl-3-methyl-5-pyrazolyldimethyl carbamate	211.2632	C10H17N3O2	N(=C(C=1)C)N(C(C)C)C=1OC(=O)N(C)C	InChI=1/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)15-10(14)12(4)5/h6-7H,1-5H3
122-42-9	Isopropyl-N-phenyl carbamate	179.2182	C10H13NO2	O=C(NC1=CC=CC=C1)OC(C)C	InChI=1/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
120-58-1	Isosafrole	162.1878	C10H10O2	C/C=C/C1=CC2=C(C=C1)OCO2	InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
520-18-3	Kaempferol	286.2404	C15H10O6	O=C1C2=C(C=C(C=C2O)O)OC(=C1O)C3=CC=C(C=C3)O	InChI=1/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
12737-87-0	Kanechlor 400				
143-50-0	Kepone	490.6394	C10Cl10O	ClC54C(=O)C1(Cl)C2(Cl)C5(Cl)C3(Cl)C4(Cl)C1(Cl)C2(Cl)C3(Cl)Cl	InChI=1/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20
22071-15-4	Ketoprofen	254.2848	C16H14O3	O=C(C1=CC=CC(=C1)C(C(=O)O)C)C2=CC=CC=C2	InChI=1/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
303-34-4	Lasiocarpine	411.4942	C21H33NO7	[H][C@]12N(CC=C2COC([C@@](O)(C(O)(C)C)[C@@H](C)OC)=O)CC[C@@H]1OC(\C(C)=C/C)=O	InChI=1/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16+,17-,21-/m1/s1
301-04-2	Lead acetate	325.289	C4H6O4Pb	C([O-])(C)=O.[Pb+2].[O-]C(C)=O	InChI=1/2C2H4O2.Pb/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
1335-32-6	Lead acetate, basic	807.7174	C4H10O8Pb3	[O-]C(C)=O.[O-]C(C)=O.[Pb+2].[OH-].[OH-].[Pb+2].[OH-].[OH-].[Pb+2]	InChI=1/2C2H4O2.4H2O.3Pb/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);4*1H2;;;/q;;;;;;3*+2/p-6
19010-66-3	Lead dimethyldithiocarbamate	447.6142	C6H12N2PbS4	S=C(N(C)C)S[Pb]SC(=S)N(C)C	InChI=1/2C3H7NS2.Pb/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
24365-47-7	Leupeptin	427.5659	C20H39N6O4+	CC(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(NC(CCCNC(N)=[N+])C(=O)[H])=O)=O)=O	InChI=1/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/p+1/t15?,16-,17-/m0/s1
27912-14-7	Levobunolol.HCl	327.8503	C17H26ClNO3	O=C2C1=C(CCC2)C(OC[C@@H](O)CNC(C)(C)C)=CC=C1.Cl	InChI=1/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H/t12-;/m0./s1
5989-27-5	d-Limonene	136.2364	C10H16	CC(=C)[C@@H]1CCC(=CC1)C	InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
434-13-9	Lithocholic acid	376.5782	C24H40O3	O=C(O)CC[C@@H](C)[C@]3([H])[C@](CC2)(C)[C@](CC3)([H])[C@@](CC4)([H])[C@@]2([H])[C@]1(C)[C@@]4([H])C[C@H](O)CC1	InChI=1/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
9000-40-2	Locust bean gum				
21498-08-8	Lofexidine.HCl	295.5955	C11H13Cl3N2O	C1(=N\CCN/1)C(C)OC2C(=CC=CC=2Cl)Cl.[HCl]	InChI=1/C11H12Cl2N2O.ClH/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13;/h2-4,7H,5-6H2,1H3,(H,14,15);1H
50264-69-2	Lonidamine	321.1622	C15H10Cl2N2O2	OC(=O)C1=NN(C2=C1C=CC=C2)CC3=CC=C(C=C3Cl)Cl	InChI=1/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)
70374-39-9	Lornoxicam	371.8192	C13H10ClN3O4S2	OC(C(SC(Cl)=C1)=C1S(N2C)(=O)=O)=C2C(NC3=NC=CC=C3)=O	InChI=1/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)
75330-75-5	Lovastatin	404.5396	C24H36O5	C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)\C=C3\C=C/[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23	InChI=1/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
76956-02-0	Loxtidine	359.4659	C19H29N5O2	Cn3nc(CO)nc3NCCCOc2cc(CN1CCCCC1)ccc2	InChI=1/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)
72716-75-7	Lupitidine.3HCl	522.9192	C21H30Cl3N5O2S	Cl.Cl.Cl.Cc1ccc(cn1)C\C2=C\N/C(=N\C2=O)NCCSCc3ccc(CN(C)C)o3	InChI=1/C21H27N5O2S.3ClH/c1-15-4-5-16(11-23-15)10-17-12-24-21(25-20(17)27)22-8-9-29-14-19-7-6-18(28-19)13-26(2)3;;;/h4-7,11-12H,8-10,13-14H2,1-3H3,(H2,22,24,25,27);3*1H
21884-44-6	Luteoskyrin	574.4966	C30H22O12	O=C1C23C4C5C6(C(=O)C7=C(O)C(C)=CC(=C7C(C6=C(C2C5O)O)=O)O)C(C4O)C(=C3C(=O)C8=C1C(O)=C(C)C=C8O)O	InChI=1/C30H22O12/c1-5-3-7(31)9-11(19(5)33)27(41)29-13-14-24(38)17(29)26(40)16-22(36)10-8(32)4-6(2)20(34)12(10)28(42)30(14,16)18(23(13)37)25(39)15(29)21(9)35/h3-4,13-14,17-18,23-24,31-34,37-40H,1-2H3
8065-91-6	Lutestral				
7791-18-6	Magnesium chloride hexahydrate	203.3022	Cl2H12MgO6	Cl[Mg]Cl.O.O.O.O.O.O	InChI=1/2ClH.Mg.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2
1634-78-2	Malaoxon	314.28966	C10H19O7PS	O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC	InChI=1/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3
121-75-5	Malathion	330.35026	C10H19O6PS2	O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC	InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
123-33-1	Maleic hydrazide	112.0878	C4H4N2O2	O=C1C=CC(=O)NN1	InChI=1/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)
24382-04-5	Malonaldehyde, sodium salt	94.04527	C3H3NaO2	C(=C/C=O)\[O-].[Na+]	InChI=1/C3H4O2.Na/c4-2-1-3-5;/h1-4H;/q;+1/p-1/b2-1+;
12427-38-2	Manganese ethylenebisthiocarbamate	265.2828	C4H6MnN2S4	[Mn+2].[S-]C(=S)NCCNC(=S)[S-]	InChI=1/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
10034-96-5	Manganese (II) sulfate monohydrate	169.0108	H2MnO5S	O=S(=O)([O-])[O-].O.[Mn+2]	InChI=1/Mn.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2
89226-75-5	Manidipine.2HCl	683.6213	C35H40Cl2N4O6	Cl.Cl.[O-][N+](=O)c1cccc(c1)C/2C(\C(=O)OC)=C(\C)NC(\C)=C\2C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5	InChI=1/C35H38N4O6.2ClH/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27;;/h4-16,23,32-33,36H,17-22H2,1-3H3;2*1H
69-65-8	d-Mannitol	182.173	C6H14O6	O[C@@H]([C@@H]([C@H](CO)O)O)[C@H](CO)O	InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1
576-68-1	Mannitol nitrogen mustard	305.1987	C10H22Cl2N2O4	O[C@H]([C@H](O)CNCCCl)[C@H](O)[C@H](O)CNCCCl	InChI=1/C10H22Cl2N2O4/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12/h7-10,13-18H,1-6H2/t7-,8-,9-,10-/m1/s1
117831-29-5	MeA-alpha-C acetate	257.2878	C14H15N3O2	[NH3+]C2=C(C)C=C(C3=N2)C1=C(N3)C=CC=C1.O=C([O-])C	InChI=1/C12H11N3.C2H4O2/c1-7-6-9-8-4-2-3-5-10(8)14-12(9)15-11(7)13;1-2(3)4/h2-6H,1H3,(H3,13,14,15);1H3,(H,3,4)
77094-11-2	MeIQ	212.2536	C12H12N4	NC(N3C)=NC2=C3C(C)=CC1=NC=CC=C12	InChI=1/C12H12N4/c1-7-6-9-8(4-3-5-14-9)10-11(7)16(2)12(13)15-10/h3-6H,1-2H3,(H2,13,15)
77500-04-0	MeIQx	213.2414	C11H11N5	CN1C2=C(C3=NC(=CN=C3C=C2)C)N=C1N	InChI=1/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)
108-78-1	Melamine	126.1206	C3H6N6	NC1=NC(=NC(=N1)N)N	InChI=1/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
71125-38-7	Meloxicam	351.4007	C14H13N3O4S2	OC(C(C=CC=C1)=C1S(N2C)(=O)=O)=C2C(NC3=NC=C(C)S3)=O	InChI=1/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
148-82-3	Melphalan	305.2034	C13H18Cl2N2O2	OC(=O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl	InChI=1/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1
15356-70-4	dl-Menthol	156.2674	C10H20O	OC(CC(C1)C)C(C1)C(C)C	InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
67-98-1	MER-25	419.5626	C27H33NO3	CCN(CC)CCOC1=CC=C(C=C1)[C](O)(CC2=CC=C(OC)C=C2)C3=CC=CC=C3	InChI=1/C27H33NO3/c1-4-28(5-2)19-20-31-26-17-13-24(14-18-26)27(29,23-9-7-6-8-10-23)21-22-11-15-25(30-3)16-12-22/h6-18,29H,4-5,19-21H2,1-3H3
149-30-4	2-Mercaptobenzothiazole	167.2432	C7H5NS2	SC1=NC2=C(C=CC=C2)S1	InChI=1/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
155-04-4	2-Mercaptobenzothiazole, zinc	397.8606	C14H8N2S4Zn	[S-]C1=NC(C=CC=C2)=C2S1.[S-]C3=NC(C=CC=C4)=C4S3.[Zn+2]	InChI=1/2C7H5NS2.Zn/c2*9-7-8-5-3-1-2-4-6(5)10-7;/h2*1-4H,(H,8,9);/q;;+2/p-2
19767-45-4	2-Mercaptoethanesulfonate, sodium	164.16947	C2H5NaO3S2	C(S(=O)(=O)[O-])CS.[Na+]	InChI=1/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1
50-44-2	6-Mercaptopurine	152.1734	C5H4N4S	S=C1NC=NC2=C1N=CN2	InChI=1/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
7487-94-7	Mercuric chloride	271.496	Cl2Hg	Cl[Hg]Cl	InChI=1/2ClH.Hg/h2*1H;/q;;+2/p-2
7546-30-7	Mercurous chloride	236.043	ClHg	[Hg]Cl	InChI=1/ClH.Hg/h1H;/q;+1/p-1
115-09-3	Mercurymethyl chloride	251.0777	CH3ClHg	C[Hg]Cl	InChI=1/CH3.ClH.Hg/h1H3;1H;/q;;+1/p-1
72-33-3	Mestranol	310.4352	C21H26O2	COc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C)c4cc3	InChI=1/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
57-39-6	Metepa	215.23446	C9H18N3OP	O=P(N1C(C1)C)(N1C(C1)C)N1C(C1)C	InChI=1/C9H18N3OP/c1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3
531-06-6	Methafurylene	245.3236	C14H19N3O	CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2	InChI=1/C14H19N3O/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3
493-78-7	Methaphenilene	260.3964	C15H20N2S	CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2	InChI=1/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3
135-23-9	Methapyrilene.HCl	297.8451	C14H20ClN3S	CN(C)CCN(CC2=CC=CS2)C1=NC=CC=C1.Cl	InChI=1/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H
950-37-8	Methidathion	302.31766	C6H11N2O4PS3	S=P(SCN1C(=O)SC(=N1)OC)(OC)OC	InChI=1/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3
60-56-0	Methimazole	114.1648	C4H6N2S	N/1C(N(\C=C\1)C)=S	InChI=1/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
59-51-8	dl-Methionine	149.2074	C5H11NO2S	NC(C(=O)O)CCSC	InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
59-05-2	Methotrexate	454.4444	C20H22N8O5	NC1=C2C(=NC(=N1)N)N=CC(=N2)CN(C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C	InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
80830-39-3	2-Methoxy-4-aminoazobenzene	227.2652	C13H13N3O