smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2ccccc2OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000012563681	561711140	/nfs/dbraw/zinc/71/11/40/561711140.db2.gz	VJJRKUBQYFZLJW-YDZHTSKRSA-N	-2	0	500.489	3.314	10	30		KGEERL
C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)CCC(=O)[O-])[C@@]2(C)OC(=O)CCC(=O)[O-])[C@@H]1/C=C/C1=CCOC1=O	ZINC000087493287	553693171	/nfs/dbraw/zinc/69/31/71/553693171.db2.gz	XRNANEMRWPLMJU-SVOJBKSTSA-N	-2	0	518.559	3.352	10	30		KGEERL
[O-]C(/N=C(\c1ccc(/C(=N\C([O-])(C(F)(F)F)C(F)(F)F)N2CCOCC2)cc1)N1CCOCC1)(C(F)(F)F)C(F)(F)F	ZINC000150343009	571458837	/nfs/dbraw/zinc/45/88/37/571458837.db2.gz	PMDZHEMNFUWMSR-KTGRAOHMSA-N	-2	0	634.418	3.471	10	30		KGEERL