smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=CC=CC(=C(c2c([O-])n(C)c(=O)n(C)c2=O)c2c([O-])n(C)c(=O)n(C)c2=O)C1=O	ZINC000001120554	555637679	/nfs/dbraw/zinc/63/76/79/555637679.db2.gz	XNSOXEQUUMEEEK-UHFFFAOYSA-N	-2	0	428.401	-0.299	50	30		IBEARL
C[C@H]1[C@H](NC(=O)C(=NOC(C)(C)C(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-]	ZINC000012503091	562982559	/nfs/dbraw/zinc/98/25/59/562982559.db2.gz	WZPBZJONDBGPKJ-IYZXUIDESA-N	-2	0	435.440	-0.332	50	30	in-man,metabolite	IBEARL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000239322021	568911229	/nfs/dbraw/zinc/91/12/29/568911229.db2.gz	JBIWCJUYHHGXTC-HDPJUZMGSA-N	-2	0	444.440	-0.348	50	30		IBEARL