smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N[C@@H](c2cccnc2)c2cc(Cl)c3cccnc3c2O)[nH+]c1	ZINC000045944555	209194334	/nfs/dbraw/zinc/19/43/34/209194334.db2.gz	YFRCBICCPRGOPZ-IBGZPJMESA-N	1	2	376.847	4.894	10	10		GJCELO
Cc1nonc1C[N@@H+](C)Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1O	ZINC000014992532	221324623	/nfs/dbraw/zinc/32/46/23/221324623.db2.gz	XYPIQMDUXKJVCK-UHFFFAOYSA-N	1	2	394.862	4.584	10	10		GJCELO
Cc1nonc1C[N@H+](C)Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1O	ZINC000014992532	221324624	/nfs/dbraw/zinc/32/46/24/221324624.db2.gz	XYPIQMDUXKJVCK-UHFFFAOYSA-N	1	2	394.862	4.584	10	10		GJCELO
Cc1ccc(N[C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)[nH+]c1	ZINC000045944542	206264102	/nfs/dbraw/zinc/26/41/02/206264102.db2.gz	BHMOEKIHHLHRPS-IBGZPJMESA-N	1	2	376.847	4.894	10	10		GJCELO
Oc1cccc([C@@H](Nc2cccc[nH+]2)c2ccc3cccnc3c2O)c1Cl	ZINC000002502843	570289003	/nfs/dbraw/zinc/28/90/03/570289003.db2.gz	KITWISGNBVVYDE-HXUWFJFHSA-N	1	2	377.831	4.896	10	10	aggregator	GJCELO