smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1O	ZINC000034925457	564057372	/nfs/dbraw/zinc/05/73/72/564057372.db2.gz	LAQHVVDEDALXRE-UHFFFAOYSA-N	0	2	333.649	4.765	50	5		EJBALN
O=C([O-])c1c[nH+]c2c3ccccc3ccc2c1Nc1cccc(O)c1	ZINC000019794107	212068530	/nfs/dbraw/zinc/06/85/30/212068530.db2.gz	SLTUKAJOVQNCBK-UHFFFAOYSA-N	0	2	330.343	4.535	50	5		EJBALN
O=[N+]([O-])c1ccc(O)cc1Oc1ccc(C(F)(F)F)cc1Cl	ZINC000034929083	213000683	/nfs/dbraw/zinc/00/06/83/213000683.db2.gz	KBDFDHPBOBHNMN-UHFFFAOYSA-N	0	2	333.649	4.765	50	5		EJBALN
O=C(c1ccccc1)c1ccc(/C=C/c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000019883893	212079401	/nfs/dbraw/zinc/07/94/01/212079401.db2.gz	ZFUSGRWHEKOHDG-DHZHZOJOSA-N	0	2	345.354	4.702	50	5		EJBALN
O=[N+]([O-])c1cc(Cl)cc(/C=C/c2ccccc2OC(F)F)c1O	ZINC000067321436	215133741	/nfs/dbraw/zinc/13/37/41/215133741.db2.gz	ITDCGQBMPHYWGS-AATRIKPKSA-N	0	2	341.697	4.726	50	5		EJBALN