smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(C[N@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)c1[O-]	ZINC000012459674	568756496	/nfs/dbraw/zinc/75/64/96/568756496.db2.gz	IHHXSMQLSYLJJM-UHFFFAOYSA-N	1	3	412.574	4.186	50	10		HICAHO
CCOc1cccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)c1[O-]	ZINC000012459674	568756500	/nfs/dbraw/zinc/75/65/00/568756500.db2.gz	IHHXSMQLSYLJJM-UHFFFAOYSA-N	1	3	412.574	4.186	50	10		HICAHO
COc1cccc(C[N@H+](C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)c1[O-]	ZINC000011817863	558281206	/nfs/dbraw/zinc/28/12/06/558281206.db2.gz	YSJXSZUFSYXOCG-UHFFFAOYSA-N	1	3	402.966	4.441	50	10		HICAHO
COc1cccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)c1[O-]	ZINC000011817863	558281207	/nfs/dbraw/zinc/28/12/07/558281207.db2.gz	YSJXSZUFSYXOCG-UHFFFAOYSA-N	1	3	402.966	4.441	50	10		HICAHO