smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCCCNc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1	ZINC000045206852	564028231	/nfs/dbraw/zinc/02/82/31/564028231.db2.gz	YDKPIHPFTALIAB-UHFFFAOYSA-N	1	1	339.399	3.679	40	5		EHBBMO
COc1cc2c(cc1OC)C[N@@H+]([C@H](C)c1ccc([N+](=O)[O-])cc1)CC2	ZINC000085345470	563986090	/nfs/dbraw/zinc/98/60/90/563986090.db2.gz	JVBRTJVULBOWQO-CYBMUJFWSA-N	1	1	342.395	3.731	40	5		EHBBMO
COc1cc2c(cc1OC)C[N@H+]([C@H](C)c1ccc([N+](=O)[O-])cc1)CC2	ZINC000085345470	563986091	/nfs/dbraw/zinc/98/60/91/563986091.db2.gz	JVBRTJVULBOWQO-CYBMUJFWSA-N	1	1	342.395	3.731	40	5		EHBBMO
COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2	ZINC000085345467	563986101	/nfs/dbraw/zinc/98/61/01/563986101.db2.gz	JVBRTJVULBOWQO-ZDUSSCGKSA-N	1	1	342.395	3.731	40	5		EHBBMO
COc1cc2c(cc1OC)C[N@H+]([C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2	ZINC000085345467	563986102	/nfs/dbraw/zinc/98/61/02/563986102.db2.gz	JVBRTJVULBOWQO-ZDUSSCGKSA-N	1	1	342.395	3.731	40	5		EHBBMO
CC(=O)O[C@@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000004958178	210338785	/nfs/dbraw/zinc/33/87/85/210338785.db2.gz	VGYQAROAOQJFSS-BXWFABGCSA-N	1	1	346.427	3.711	40	5		EHBBMO
CC(=O)O[C@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000004958179	210338810	/nfs/dbraw/zinc/33/88/10/210338810.db2.gz	VGYQAROAOQJFSS-TXPKVOOTSA-N	1	1	346.427	3.711	40	5		EHBBMO
O=C(CN(c1ccccc1)C1=[NH+]CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000008436125	564165330	/nfs/dbraw/zinc/16/53/30/564165330.db2.gz	IDKYYUDDDDMMPP-UHFFFAOYSA-N	1	1	337.379	3.867	40	5		EHBBMO