smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[n-]c1=S	ZINC000101494838	569799956	/nfs/dbraw/zinc/79/99/56/569799956.db2.gz	YRUIFRMXPDSEBY-LJQANCHMSA-N	-2	3	482.587	5.678	50	5		JKBAHL
CC(C)n1ncc2c1nc1c3ccc([O-])cc3oc1c2-c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000096115616	569734626	/nfs/dbraw/zinc/73/46/26/569734626.db2.gz	HMQWFZPPNUMWTO-UHFFFAOYSA-N	-2	3	453.454	6.242	50	5	biogenic	JKBAHL
CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[n-]c1=S	ZINC000101494753	569800145	/nfs/dbraw/zinc/80/01/45/569800145.db2.gz	UBGVDUFPWFDJOC-LJQANCHMSA-N	-2	3	482.587	5.678	50	5		JKBAHL
CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[n-]c1=S	ZINC000101494750	569799984	/nfs/dbraw/zinc/79/99/84/569799984.db2.gz	UBGVDUFPWFDJOC-IBGZPJMESA-N	-2	3	482.587	5.678	50	5		JKBAHL
CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[n-]c1=S	ZINC000101494837	569800181	/nfs/dbraw/zinc/80/01/81/569800181.db2.gz	YRUIFRMXPDSEBY-IBGZPJMESA-N	-2	3	482.587	5.678	50	5		JKBAHL