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([O-])c1cc(-c2ccc(Cl)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1	ZINC000095495364	304219018	/nfs/dbraw/zinc/21/90/18/304219018.db2.gz	SSBXQRPKLORVJP-UHFFFAOYSA-N	-2	0	321.672	3.312	10	5		DGBERL
O=C([O-])C[C@H](C(=O)[O-])c1ccc(C2CCCCC2)c([N+](=O)[O-])c1	ZINC000584600211	337370706	/nfs/dbraw/zinc/37/07/06/337370706.db2.gz	SYAVWBIPFBZNCA-ZDUSSCGKSA-N	-2	0	321.329	3.285	10	5		DGBERL
O=c1ccc2c3ccc([O-])c4c(=O)ccc(c5ccc([O-])c1c52)c34	ZINC000105575439	400322882	/nfs/dbraw/zinc/32/28/82/400322882.db2.gz	LLWVFANUCOSMDH-UHFFFAOYSA-N	-2	0	314.296	3.307	10	5		DGBERL
O=C([O-])c1cc(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])ccc1Cl	ZINC000095495365	304218856	/nfs/dbraw/zinc/21/88/56/304218856.db2.gz	WGKILKJQYKGMNB-UHFFFAOYSA-N	-2	0	321.672	3.312	10	5		DGBERL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc(C2CCCCC2)c([N+](=O)[O-])c1	ZINC000584600210	337370694	/nfs/dbraw/zinc/37/06/94/337370694.db2.gz	SYAVWBIPFBZNCA-CYBMUJFWSA-N	-2	0	321.329	3.285	10	5		DGBERL
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc([O-])c(Cl)c1	ZINC000194857400	432582537	/nfs/dbraw/zinc/58/25/37/432582537.db2.gz	DIJAKBOGCGTRJI-HNQUOIGGSA-N	-2	0	320.688	3.217	10	5		DGBERL
COc1cc(=O)c2c([O-])c3c(C)cc([O-])c(Cl)c3oc-2c1	ZINC000006484337	560205893	/nfs/dbraw/zinc/20/58/93/560205893.db2.gz	CCCPQTCGPQONAG-UHFFFAOYSA-N	-2	0	306.701	3.328	10	5	biogenic,in-vitro	DGBERL
O=C([O-])c1cc(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccc1Cl	ZINC000095495363	185374147	/nfs/dbraw/zinc/37/41/47/185374147.db2.gz	DCMRNCBLFCYGPU-UHFFFAOYSA-N	-2	0	321.672	3.312	10	5		DGBERL