name	value
Gibbs_Energy	-2074.083717
InChI	InChI=1S/C14H12BClO3.C7H9N.C7H6O2.H2O/c1-18-15(12-9-5-6-10-13(12)16)19-14(17)11-7-3-2-4-8-11;8-6-7-4-2-1-3-5-7;8-7(9)6-4-2-1-3-5-6;/h2-10H,1H3;1-5H,6,8H2;1-5H,(H,8,9);1H2
InChIKey	NPICXJJRSIPFNP-UHFFFAOYSA-N
