heptamethylbenzenesulfonamide	InChI=1S/C13H21NO2S/c1-8-9(2)11(4)13(12(5)10(8)3)17(15,16)14(6)7/h1-7H3
2,4-dimethylpentyl(propan-2-yl)phosphane	InChI=1S/C10H23P/c1-8(2)6-10(5)7-11-9(3)4/h8-11H,6-7H2,1-5H3
N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(1R)-1-phenylethyl]amino]methyl]phenyl]cyclopropanecarboxamide	InChI=1S/C26H35N3O2/c1-18(19-10-8-7-9-11-19)29(25(31)26(2,3)4)17-21-16-22(14-15-23(21)28(5)6)27-24(30)20-12-13-20/h7-11,14-16,18,20H,12-13,17H2,1-6H3,(H,27,30)/t18-/m1/s1
N-[(2R,3S)-3-[3,3-dimethylbutanoyl-[(2-pyrrolidin-1-ylacetyl)amino]amino]-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide	InChI=1S/C33H48N4O7S/c1-24(2)20-36(45(41,42)26-13-14-29-30(18-26)44-23-43-29)21-28(38)27(17-25-11-7-6-8-12-25)37(32(40)19-33(3,4)5)34-31(39)22-35-15-9-10-16-35/h6-8,11-14,18,24,27-28,38H,9-10,15-17,19-23H2,1-5H3,(H,34,39)/t27-,28+/m0/s1
3,3'-methylenebis(2,4,6-trimethylbenzaldehyde) disemicarbazone	InChI=1S/C23H30N6O2/c1-12-7-14(3)20(10-26-28-22(24)30)16(5)18(12)9-19-13(2)8-15(4)21(17(19)6)11-27-29-23(25)31/h7-8,10-11H,9H2,1-6H3,(H3,24,28,30)(H3,25,29,31)
2-[1-(3,4-dihydro-2(1H)-isoquinolinylacetyl)-3-oxo-2-piperazinyl]-N-phenylacetamide	InChI=1S/C23H26N4O3/c28-21(25-19-8-2-1-3-9-19)14-20-23(30)24-11-13-27(20)22(29)16-26-12-10-17-6-4-5-7-18(17)15-26/h1-9,20H,10-16H2,(H,24,30)(H,25,28)
alpha-ethylfuran-2-methanol	InChI=1/C7H10O2/c1-2-6(8)7-4-3-5-9-7/h3-6,8H,2H2,1H3
(S)-N-{5-(4-Fluoro-phenyl)-4-[1-(4-fluoro-phenyl)-1H-indol-4-ylmethyl]-3-oxo-3,4-dihydro-pyrazin-2-yl}-2-methylamino-propionamide	InChI=1S/C29H25F2N5O2/c1-18(32-2)28(37)34-27-29(38)36(26(16-33-27)19-6-8-21(30)9-7-19)17-20-4-3-5-25-24(20)14-15-35(25)23-12-10-22(31)11-13-23/h3-16,18,32H,17H2,1-2H3,(H,33,34,37)/t18-/m0/s1
(S)-N-{5-(4-Fluoro-phenyl)-4-[1-(4-fluoro-phenyl)-(1H-indol-4-yl)methyl]-3-oxo-3,4-dihydro-pyrazin-2-yl}-2-methylamino-propionamide	InChI=1S/C29H25F2N5O2/c1-17(32-2)28(37)35-27-29(38)36(25(16-34-27)18-6-10-20(30)11-7-18)26(19-8-12-21(31)13-9-19)23-4-3-5-24-22(23)14-15-33-24/h3-17,26,32-33H,1-2H3,(H,34,35,37)/t17-,26?/m0/s1
1-(1-phenylcyclopentyl)methylamine	InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
S-(1-Oxido-2-pyridyl)-N,N,N',N'-tetramethylthiuronium tetrafluoroborate	InChI=1S/C10H16N3OS.BF4/c1-11(2)10(12(3)4)15-9-7-5-6-8-13(9)14;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
azaphosphine	InChI=1S/C4H4NP/c1-2-4-6-5-3-1/h1-4H
sodium tetraethylborate	InChI=1S/C8H20B.Na/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;/q-1;+1
hexabromoantimonate	InChI=1S/6BrH.Sb/h6*1H;/q;;;;;;+5/p-6
hexachloroarsenate	InChI=1S/AsCl6/c2-1(3,4,5,6)7/q-1
hexachlorophosphate	InChI=1S/Cl6P/c1-7(2,3,4,5)6/q-1
Hexafluorosilicic acid	InChI=1S/F6Si/c1-7(2,3,4,5)6/q-2/p+2
Hexafluorophosphoric acid	InChI=1S/F6P/c1-7(2,3,4,5)6/q-1/p+1
Hexafluorophosphoric acid triamide	InChI=1S/F6N3OP/c1-7(2)11(10,8(3)4)9(5)6
phenyltrifluoroborate	InChI=1S/C6H5BF3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H/q-1
ethylnitrolic acid	InChI=1S/C2H4N2O3/c1-2(3-5)4(6)7/h5H,1H3
#Formally ambiguous
pentachlorobenzyl acetate	InChI=1S/C9H5Cl5O2/c1-3(15)16-2-4-5(10)7(12)9(14)8(13)6(4)11/h2H2,1H3
#Formally ambiguous
tetraphenylporphyrin	InChI=1S/C44H30N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,45,48H
#Formally ambiguous
hexachlorocyclohexane	InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
pyridinium hemisulfate	InChI=1S/2C5H5N.H2O4S/c2*1-2-4-6-5-3-1;1-5(2,3)4/h2*1-5H;(H2,1,2,3,4)
potassium carbonate sesquihydrate	InChI=1S/2CH2O3.4K.3H2O/c2*2-1(3)4;;;;;;;/h2*(H2,2,3,4);;;;;3*1H2/q;;4*+1;;;/p-4
S-methylmethionine	InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1
Se-benzyl-seleno-methionine	InChI=1S/C12H17NO2Se/c1-16(8-7-11(13)12(14)15)9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3/p+1/t11-,16?/m0/s1
#different phospho interpretation
phosphobenzene	InChI=1S/C6H5O2P/c7-9(8)6-4-2-1-3-5-6/h1-5H
6-phospho-2-O-methyl-D-mannose	InChI=1S/C7H15O9P/c1-15-5(2-8)7(11)6(10)4(9)3-16-17(12,13)14/h2,4-7,9-11H,3H2,1H3,(H2,12,13,14)/t4-,5-,6-,7-/m1/s1
bicyclo[5.4.0]-7-undecene	InChI=1/C11H18/c1-2-6-10-8-4-5-9-11(10)7-3-1/h8,11H,1-7,9H2
spiro[4.5]-2-decene	InChI=1S/C10H16/c1-2-6-10(7-3-1)8-4-5-9-10/h4-5H,1-3,6-9H2
glutamylglycine	InChI=1S/C7H12N2O5/c8-4(1-2-5(10)11)7(14)9-3-6(12)13/h4H,1-3,8H2,(H,9,14)(H,10,11)(H,12,13)/t4-/m0/s1
beta-alaninenitrile	InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
2'-Deoxy-5-azacytidylyl-(3'→5')-2'-deoxyguanosine	InChI=1S/C18H24N9O10P/c19-16-22-6-27(18(31)25-16)12-2-8(9(3-28)35-12)37-38(32,33)34-4-10-7(29)1-11(36-10)26-5-21-13-14(26)23-17(20)24-15(13)30/h5-12,28-29H,1-4H2,(H,32,33)(H2,19,25,31)(H3,20,23,24,30)/t7-,8-,9+,10+,11+,12+/m0/s1
4-benzofuran-2-yl-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol	InChI=1S/C18H17NO2/c1-19-11-14-7-2-4-8-15(14)18(20,12-19)17-10-13-6-3-5-9-16(13)21-17/h2-10,20H,11-12H2,1H3
7-methylguanosine	InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1
#Vitamin B-6 related compounds
pyridoxal 5'-phosphate	InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
N-(5'-phosphopyridoxyl)-D-alanine	InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1
N6-(P-pyridoxyl)-L-lysine	InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6,12,16,18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m0/s1
N,N-Dimethylmethyleneiminium chloride	InChI=1S/C3H8N.ClH/c1-4(2)3;/h1H2,2-3H3;1H/q+1;/p-1
#subtractive heteroatom replacement
7-Deaza-2′-deoxy-guanosine-5′-triphosphate	InChI=1S/C11H17N4O13P3/c12-11-13-9-5(10(17)14-11)1-2-15(9)8-3-6(16)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,6-8,16H,3-4H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,13,14,17)/t6-,7+,8+/m0/s1
deaza-pyridine	InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
1-deaza-pyridine	InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
deaza-morpholine	InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
4-deaza-morpholine	InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
1-dethia-1-oxa-3-cephem	InChI=1S/C6H7NO2/c8-5-4-6-7(5)2-1-3-9-6/h1-2,6H,3-4H2/t6-/m1/s1
1-Myristoyl-sn-glycero-3-phosphocholine	InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1
1,2-dioleoyl-sn-glycerol-3-phosphate	InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-/t37-/m1/s1
1,2-Dipalmitoyl-glycero-3-phosphocholine	InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3
1,2-Dipalmitoyl-rac-glycero-3-phosphocholine	InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3
methylselenopyruvate	InChI=1S/C4H6O3Se/c1-8-2-3(5)4(6)7/h2H2,1H3,(H,6,7)/p-1
beta-methylselenopyruvate	InChI=1S/C4H6O3Se/c1-8-2-3(5)4(6)7/h2H2,1H3,(H,6,7)/p-1
