name	value
Gibbs_Energy	-2074.105908
InChI	InChI=1S/C21H21BClNO3.C7H6O2.H2O/c1-26-22(19-14-8-9-15-20(19)23,24-16-17-10-4-2-5-11-17)27-21(25)18-12-6-3-7-13-18;8-7(9)6-4-2-1-3-5-6;/h2-15H,16,24H2,1H3;1-5H,(H,8,9);1H2
InChIKey	JXZSHVOZAJYMMN-UHFFFAOYSA-N
