smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc([O-])c2c([O-])c3cc(Cl)cc(Cl)c3[nH]c-2c1	ZINC000027557640	368873037	/nfs/dbraw/zinc/87/30/37/368873037.db2.gz	UUZPECDZRGUHLS-UHFFFAOYSA-N	-2	3	296.109	3.399	10	5		CGBEHL
O=C([O-])c1ccc(-c2cc([O-])ccc2Cl)cc1[N+](=O)[O-]	ZINC000095495227	304230250	/nfs/dbraw/zinc/23/02/50/304230250.db2.gz	YCJXGTBBFZJMSP-UHFFFAOYSA-N	-2	3	293.662	3.319	10	5		CGBEHL
C[C@@H](C(=O)[O-])c1cc(=O)c2c([O-])c3ccccc3ccc-2c1	ZINC000026400568	368858537	/nfs/dbraw/zinc/85/85/37/368858537.db2.gz	CYTFFERWWABCGA-SNVBAGLBSA-N	-2	3	294.306	3.247	10	5		CGBEHL
O=[N+]([O-])c1cc(-c2cc([O-])ccc2Cl)ccc1[O-]	ZINC000095494935	304798611	/nfs/dbraw/zinc/79/86/11/304798611.db2.gz	LQCCPZIYGSCHKO-UHFFFAOYSA-N	-2	3	265.652	3.326	10	5		CGBEHL
C[C@H](C(=O)[O-])c1cc(=O)c2c([O-])c3ccccc3ccc-2c1	ZINC000026400571	368857810	/nfs/dbraw/zinc/85/78/10/368857810.db2.gz	CYTFFERWWABCGA-JTQLQIEISA-N	-2	3	294.306	3.247	10	5		CGBEHL
COc1cc2c(cc1[O-])oc1c2c(=O)oc2cc([O-])ccc12	ZINC000014778687	368685130	/nfs/dbraw/zinc/68/51/30/368685130.db2.gz	MQORJFLPGOCLDS-UHFFFAOYSA-N	-2	3	298.250	3.112	10	5	endogenous,in-man	CGBEHL
Cc1ccc([O-])c(C(=O)C=C([O-])c2ccc([N+](=O)[O-])cc2)c1	ZINC000139519161	346101211	/nfs/dbraw/zinc/10/12/11/346101211.db2.gz	OKTZVCQDPIFHMO-UHFFFAOYSA-N	-2	3	299.282	3.065	10	5		CGBEHL
O=C([O-])c1cc(-c2cc([O-])ccc2Cl)cc([N+](=O)[O-])c1	ZINC000095495228	304218763	/nfs/dbraw/zinc/21/87/63/304218763.db2.gz	AEYLGZQGILBGBZ-UHFFFAOYSA-N	-2	3	293.662	3.319	10	5		CGBEHL
COc1cc2oc3c(c2c([O-])c1)c(=O)oc1cc([O-])ccc31	ZINC000002392256	277858994	/nfs/dbraw/zinc/85/89/94/277858994.db2.gz	YFVNQUXNYCREJW-UHFFFAOYSA-N	-2	3	298.250	3.112	10	5	endogenous,in-man	CGBEHL