/usr/share/RDKit/Data/Salts.txt is in rdkit-data 201603.5-2.
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// Created by Greg Landrum, December 2006
// Definitions from Thomas Zoller
//
// Version history:
// 15 Dec, 2006: created (GL)
// Notes:
// 1) don't include charges
// 2) The search for salts is a substructure search where the substructure
// must match the entire fragment, so we don't need to be choosy about bond
// types
// 3) The matching is done in order, so if you put the more complex stuff at the
// bottom the "don't remove the last fragment" algorithm has a chance of
// of returning something sensible
// start with simple inorganics:
[Cl,Br,I]
[Li,Na,K,Ca,Mg]
[O,N]
// "complex" inorganics
[N](=O)(O)O
[P](=O)(O)(O)O
[P](F)(F)(F)(F)(F)F
[S](=O)(=O)(O)O
[CH3][S](=O)(=O)(O)
c1cc([CH3])ccc1[S](=O)(=O)(O) p-Toluene sulfonate
// organics
[CH3]C(=O)O Acetic acid
FC(F)(F)C(=O)O TFA
OC(=O)C=CC(=O)O Fumarate/Maleate
OC(=O)C(=O)O Oxalate
OC(=O)C(O)C(O)C(=O)O Tartrate
C1CCCCC1[NH]C1CCCCC1 Dicylcohexylammonium
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