smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C=C([O-])c1ccc2c(ccc3ccccc32)c1)C(F)(F)F	ZINC000100063108	193794035	/nfs/dbraw/zinc/79/40/35/193794035.db2.gz	AQNQWKSQLGAUBI-UHFFFAOYSA-N	-1	0	316.278	4.697	10	5		DJBERM
O=[N+]([O-])c1cc(-c2ccccc2OCc2ccccc2)ccc1[O-]	ZINC000095494997	185373949	/nfs/dbraw/zinc/37/39/49/185373949.db2.gz	YWJMWJGMEJRSMR-UHFFFAOYSA-N	-1	0	321.332	4.546	10	5		DJBERM
O=[N+]([O-])c1cc(-c2ccc(OCc3ccccc3)cc2)ccc1[O-]	ZINC000095494999	185373971	/nfs/dbraw/zinc/37/39/71/185373971.db2.gz	HYHHNQMEJSFRGY-UHFFFAOYSA-N	-1	0	321.332	4.546	10	5		DJBERM
O=C([O-])c1cc2ccccc2c2cc(OC(F)(F)F)ccc12	ZINC000584590778	337373301	/nfs/dbraw/zinc/37/33/01/337373301.db2.gz	TUYDDPNGZDDYDV-UHFFFAOYSA-N	-1	0	306.239	4.590	10	5		DJBERM
O=[N+]([O-])c1cc(-c2cccc(OCc3ccccc3)c2)ccc1[O-]	ZINC000095494998	185373812	/nfs/dbraw/zinc/37/38/12/185373812.db2.gz	UKLIXHOWSWAQII-UHFFFAOYSA-N	-1	0	321.332	4.546	10	5		DJBERM
CCc1cc2ccccc2c2cc(C(=O)CCC(=O)[O-])ccc12	ZINC000584631743	337377036	/nfs/dbraw/zinc/37/70/36/337377036.db2.gz	RRFNRSBFOONRFQ-UHFFFAOYSA-N	-1	0	306.361	4.603	10	5		DJBERM