smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)c(C)c1	ZINC000034849678	564024460	/nfs/dbraw/zinc/02/44/60/564024460.db2.gz	ZJQWKLCFUMLLGQ-UHFFFAOYSA-N	-1	0	332.355	4.587	10	5		EJBERM
CC1(C)CCc2c3oc4c(c3ccc2O1)c(=O)oc1cc([O-])ccc41	ZINC000000899909	291010864	/nfs/dbraw/zinc/01/08/64/291010864.db2.gz	GSAVLDZAGYKJSO-UHFFFAOYSA-N	-1	0	336.343	4.502	10	5	endogenous,in-man	EJBERM
O=C([O-])CCCCCCCCCCCOc1ccc([N+](=O)[O-])cc1	ZINC000044667955	213641491	/nfs/dbraw/zinc/64/14/91/213641491.db2.gz	SVQZCSVOBTWEFB-UHFFFAOYSA-N	-1	0	337.416	4.959	10	5		EJBERM
O=[N+]([O-])c1ccc([N-]c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	ZINC000035141173	213009527	/nfs/dbraw/zinc/00/95/27/213009527.db2.gz	OCRGOBLDDRMTIX-UHFFFAOYSA-N	-1	0	328.111	4.553	10	5		EJBERM
O=C([O-])c1ccc(Sc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1	ZINC000000092137	206210698	/nfs/dbraw/zinc/21/06/98/206210698.db2.gz	MVMUIRRRBDQBDD-UHFFFAOYSA-N	-1	0	344.175	4.751	10	5		EJBERM
Cc1ccc2c(c1)oc1cc(=O)ccc-1c2-c1ccccc1C(=O)[O-]	ZINC000085344842	217660488	/nfs/dbraw/zinc/66/04/88/217660488.db2.gz	PABMHEGLLRCYLG-UHFFFAOYSA-N	-1	0	330.339	4.571	10	5		EJBERM
O=C([O-])CCCC(=O)Nc1ccc2ccc3cccc4ccc1c2c34	ZINC000261508772	201193144	/nfs/dbraw/zinc/19/31/44/201193144.db2.gz	WUBIMTUEEHLNGS-UHFFFAOYSA-N	-1	0	331.371	4.777	10	5		EJBERM
O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1[O-]	ZINC000038614235	213218239	/nfs/dbraw/zinc/21/82/39/213218239.db2.gz	WYTRKEWETULQOA-UHFFFAOYSA-N	-1	0	333.649	4.765	10	5		EJBERM