smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc(C(F)F)c([N+](=O)[O-])c([O-])[n-]1	ZINC000217638773	188008339	/nfs/dbraw/zinc/00/83/39/188008339.db2.gz	CDLAHBMRVWQIHC-UHFFFAOYSA-N	-2	3	207.092	0.734	40	5		BCBBHL
O=[N+]([O-])c1ccc([O-])c(-c2nn[n-]n2)c1	ZINC000008681048	372844433	/nfs/dbraw/zinc/84/44/33/372844433.db2.gz	KNWYHWNXNWMIMD-UHFFFAOYSA-N	-2	3	207.149	0.481	40	5		BCBBHL
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])c1nc[n-]n1	ZINC000004866360	182362626	/nfs/dbraw/zinc/36/26/26/182362626.db2.gz	IVFPYEWOFOCGET-UHFFFAOYSA-N	-2	3	249.186	0.671	40	5		BCBBHL
COc1cc([C@@H](N)C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000199810321	175014064	/nfs/dbraw/zinc/01/40/64/175014064.db2.gz	IMVTYNWRCKFQLQ-SSDOTTSWSA-N	-2	3	242.187	0.393	40	5		BCBBHL
O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])c([O-])cc2CN1	ZINC000521824911	398305943	/nfs/dbraw/zinc/30/59/43/398305943.db2.gz	LPDMEZPQPQBQJD-ZETCQYMHSA-N	-2	3	238.199	0.399	40	5		BCBBHL
N[C@H](C(=O)[O-])c1ccc([O-])c([N+](=O)[O-])c1	ZINC000042854204	374293206	/nfs/dbraw/zinc/29/32/06/374293206.db2.gz	WPJSXUYBLQGKHR-ZETCQYMHSA-N	-2	3	212.161	0.385	40	5		BCBBHL
N[C@@H](CC(=O)[O-])c1cc([O-])ccc1[N+](=O)[O-]	ZINC000044196807	363184799	/nfs/dbraw/zinc/18/47/99/363184799.db2.gz	WSMXFDBLFDKLBJ-ZETCQYMHSA-N	-2	3	226.188	0.775	40	5		BCBBHL
N[C@@H](C(=O)[O-])c1ccc([O-])c([N+](=O)[O-])c1	ZINC000095931944	388791520	/nfs/dbraw/zinc/79/15/20/388791520.db2.gz	WPJSXUYBLQGKHR-SSDOTTSWSA-N	-2	3	212.161	0.385	40	5		BCBBHL
COc1cc([C@H](N)C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000072196580	175016909	/nfs/dbraw/zinc/01/69/09/175016909.db2.gz	IMVTYNWRCKFQLQ-ZETCQYMHSA-N	-2	3	242.187	0.393	40	5		BCBBHL
N[C@H](CC(=O)[O-])c1cc([O-])ccc1[N+](=O)[O-]	ZINC000044196803	344886806	/nfs/dbraw/zinc/88/68/06/344886806.db2.gz	WSMXFDBLFDKLBJ-SSDOTTSWSA-N	-2	3	226.188	0.775	40	5		BCBBHL
O=c1[n-]c2c(c([O-])c1[N+](=O)[O-])CCCC2	ZINC000199173663	187396867	/nfs/dbraw/zinc/39/68/67/187396867.db2.gz	JODWMMXXVZOUJQ-UHFFFAOYSA-N	-2	3	210.189	0.868	40	5		BCBBHL
O=c1nc(Nc2ccccc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000006575455	387217705	/nfs/dbraw/zinc/21/77/05/387217705.db2.gz	VNKWKVWBKYIBNE-UHFFFAOYSA-N	-2	3	248.198	0.715	40	5		BCBBHL