smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]Cc1ccc(N2CCNCC2)cc1	44248902	132191359	/nfs/dbraw/zinc/19/13/59/132191359.db2.gz	AMMWIBNKEHSGDR-UHFFFAOYSA-N	1	3	191.278	0.555	40	10	in-vitro	ACCBHO
CON=[N+](O)C(C)N([O-])N=[O+]C	19320514	168075081	/nfs/dbraw/zinc/07/50/81/168075081.db2.gz	VSPXRIFIYMDYJJ-SFECMWDFSA-N	1	3	178.148	0.380	40	10		ACCBHO
[NH3+]Cc1ccc([O-])c(C[NH3+])c1	95721897	169223644	/nfs/dbraw/zinc/22/36/44/169223644.db2.gz	KOJDLFFRWKSEAS-UHFFFAOYSA-N	1	3	152.197	0.310	40	10		ACCBHO
[NH3+]Cc1cc(O)c([O-])c(C[NH3+])c1	225722680	351798587	/nfs/dbraw/zinc/79/85/87/351798587.db2.gz	WBXVUJXPORHXGC-UHFFFAOYSA-N	1	3	168.196	0.015	40	10		ACCBHO
COc1cc(C[NH3+])cc(C[NH3+])c1[O-]	225722648	351798609	/nfs/dbraw/zinc/79/86/09/351798609.db2.gz	OIYAKWIGDGYMJS-UHFFFAOYSA-N	1	3	182.223	0.318	40	10		ACCBHO