smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@@H+](CC1(C)CC1)c1ccc(C[NH3+])cc1	ZINC000787288313	585905253	/nfs/dbraw/zinc/90/52/53/585905253.db2.gz	CEUGJJFYOOUEEO-UHFFFAOYSA-N	2	2	232.371	3.162	20	10		BGCDLP
CCC[N@H+](CC1(C)CC1)c1ccc(C[NH3+])cc1	ZINC000787288313	585905252	/nfs/dbraw/zinc/90/52/52/585905252.db2.gz	CEUGJJFYOOUEEO-UHFFFAOYSA-N	2	2	232.371	3.162	20	10		BGCDLP
Cc1ccc(CCC[NH2+]c2ccc(N)cc2)c[nH+]1	ZINC000841040805	587938379	/nfs/dbraw/zinc/93/83/79/587938379.db2.gz	UNMRIDHAGGSXFZ-UHFFFAOYSA-N	2	2	241.338	3.017	20	10		BGCDLP