smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](N)C(N)=O)C(=O)[O-])C(=O)[O-]	ZINC000008214683	552984543	/nfs/dbraw/zinc/98/45/43/552984543.db2.gz	TUNXCNXMSJZNPO-XSDIEEQYSA-N	-2	3	571.716	1.314	40	30		KDEBHL
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2)cc(CN(CC(=O)[O-])CC(=O)[O-])c1[O-]	ZINC000026644896	553820021	/nfs/dbraw/zinc/82/00/21/553820021.db2.gz	SESORLVFYDXIDP-BRPDVVIDSA-N	-6	3	672.665	1.647	40	30		KDEBHL
[O-]c1c(Br)cc(C=NN=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c([O-])c1Br	ZINC000100540308	554412750	/nfs/dbraw/zinc/41/27/50/554412750.db2.gz	ABBKTIUGXAVZBT-FBHDLOMBSA-N	-2	3	559.219	1.927	40	30		KDEBHL
Cc1cc2cc(c1[O-])[C@@]2(N(CC(=O)[O-])CC(=O)[O-])[C@@]1([C@@]2(N(CC(=O)[O-])CC(=O)[O-])C3=CC(C)C(=O)C2=C3)OS(=O)(=O)c2ccccc21	ZINC000334163737	572154910	/nfs/dbraw/zinc/15/49/10/572154910.db2.gz	VJVFIDYSWSIBRG-LOYHVIPDSA-N	-5	3	668.633	1.265	40	30		KDEBHL
CC(=O)N=C1C=CC(=NNc2c([O-])c3c(cc(S(=O)(=O)[O-])cc3NC(C)=O)cc2S(=O)(=O)[O-])C=C1	ZINC000409415837	1066405398	/nfs/dbraw/zinc/40/53/98/1066405398.db2.gz	DWWLKNJUVOITOM-UHFFFAOYSA-N	-3	3	522.517	1.879	40	30		KDEBHL