smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cn(CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c[nH+]1	ZINC000159758666	398342361	/nfs/dbraw/zinc/34/23/61/398342361.db2.gz	VZJIRAXQBIIDAD-STQMWFEESA-N	2	2	235.331	1.527	10	70		BDIELP
c1cn(CC[N@H+]2CCO[C@H]3CCCC[C@@H]32)c[nH+]1	ZINC000159758666	398342362	/nfs/dbraw/zinc/34/23/62/398342362.db2.gz	VZJIRAXQBIIDAD-STQMWFEESA-N	2	2	235.331	1.527	10	70		BDIELP
CC[NH2+]CCCNc1[nH+]cccc1OC	ZINC000160274739	361303266	/nfs/dbraw/zinc/30/32/66/361303266.db2.gz	FHMFYAAKTACXAO-UHFFFAOYSA-N	2	2	209.293	1.502	10	70		BDIELP
c1cn(CCN2CCC([NH+]3CCCC3)CC2)c[nH+]1	ZINC000159754662	345511876	/nfs/dbraw/zinc/51/18/76/345511876.db2.gz	REHFUALBKYUHFU-UHFFFAOYSA-N	2	2	248.374	1.443	10	70		BDIELP
c1cn(CC[NH+]2CCC([NH+]3CCCC3)CC2)cn1	ZINC000159754662	345511877	/nfs/dbraw/zinc/51/18/77/345511877.db2.gz	REHFUALBKYUHFU-UHFFFAOYSA-N	2	2	248.374	1.443	10	70		BDIELP
c1cn(CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c[nH+]1	ZINC000159758801	398342421	/nfs/dbraw/zinc/34/24/21/398342421.db2.gz	VZJIRAXQBIIDAD-QWHCGFSZSA-N	2	2	235.331	1.527	10	70		BDIELP
c1cn(CC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c[nH+]1	ZINC000159758801	398342422	/nfs/dbraw/zinc/34/24/22/398342422.db2.gz	VZJIRAXQBIIDAD-QWHCGFSZSA-N	2	2	235.331	1.527	10	70		BDIELP