smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1cc(C(=O)[O-])c2c(N)c(C(=O)[O-])sc2n1	ZINC000409441319	344889855	/nfs/dbraw/zinc/88/98/55/344889855.db2.gz	OPXSEFUFMTUCAV-UHFFFAOYSA-N	-2	0	280.305	2.398	40	10		CECBRL
O=C1c2ccccc2C([O-])=C2C(=O)c3ccccc3C([O-])=C12	ZINC000100487787	364546702	/nfs/dbraw/zinc/54/67/02/364546702.db2.gz	QLQNVANYCBGLKC-UHFFFAOYSA-N	-2	0	290.274	2.377	40	10		CECBRL
O=C([O-])c1nc(/N=N/c2ccccc2)[n-]c1C(=O)[O-]	ZINC000004430298	361316230	/nfs/dbraw/zinc/31/62/30/361316230.db2.gz	FNLIQOLPTIMLOZ-CCEZHUSRSA-N	-3	0	260.209	2.222	40	10		CECBRL
Cc1cc(C(=O)[O-])c(C)n1-c1ccccc1C(=O)[O-]	ZINC000001610370	301150861	/nfs/dbraw/zinc/15/08/61/301150861.db2.gz	DVZYOZHLHLNWLH-UHFFFAOYSA-N	-2	0	259.261	2.491	40	10		CECBRL
O=C([O-])[C@@H]1CS[C@@H](c2c(O)ccc3ccccc32)N1	ZINC000006476651	394459082	/nfs/dbraw/zinc/45/90/82/394459082.db2.gz	YSQHEHCNKUBBIK-GWCFXTLKSA-N	-2	0	275.329	2.334	40	10		CECBRL
Nc1c(C(=O)[O-])sc2nc(C3CC3)cc(C(=O)[O-])c12	ZINC000409440260	344889757	/nfs/dbraw/zinc/88/97/57/344889757.db2.gz	KFRMHHUYQNPGLK-UHFFFAOYSA-N	-2	0	278.289	2.152	40	10		CECBRL
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1cccc([S-])c1	ZINC000098213333	364537921	/nfs/dbraw/zinc/53/79/21/364537921.db2.gz	HSPBXLGFYPFXCO-JTQLQIEISA-N	-2	0	283.349	2.221	40	10		CECBRL
Cc1cc(C(=O)[O-])c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000001610372	301150822	/nfs/dbraw/zinc/15/08/22/301150822.db2.gz	TYUGVOIHNADERA-UHFFFAOYSA-N	-2	0	259.261	2.491	40	10		CECBRL
Cc1cc(C=O)c(C)n1-c1cc(C(=O)[O-])ccc1C(=O)[O-]	ZINC000223716933	301266360	/nfs/dbraw/zinc/26/63/60/301266360.db2.gz	UFBDVVCLYRYELT-UHFFFAOYSA-N	-2	0	287.271	2.303	40	10		CECBRL
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cccc([S-])c1	ZINC000098213334	364538040	/nfs/dbraw/zinc/53/80/40/364538040.db2.gz	HSPBXLGFYPFXCO-SNVBAGLBSA-N	-2	0	283.349	2.221	40	10		CECBRL
O=C([O-])c1nc(/N=N\c2ccccc2)[n-]c1C(=O)[O-]	ZINC000017286482	361506874	/nfs/dbraw/zinc/50/68/74/361506874.db2.gz	FNLIQOLPTIMLOZ-PFONDFGASA-N	-3	0	260.209	2.222	40	10		CECBRL
COc1ccc(/N=N/c2nc(C(=O)[O-])c(C(=O)[O-])[n-]2)cc1	ZINC000005400454	170094727	/nfs/dbraw/zinc/09/47/27/170094727.db2.gz	IXBWDGLDLQDWBE-FOCLMDBBSA-N	-3	0	290.235	2.230	40	10		CECBRL