smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc([O-])c2c(ccc3[nH]c(=O)cc(O)c32)[nH]1	ZINC000005531088	342765562	/nfs/dbraw/zinc/76/55/62/342765562.db2.gz	QZVDLXNWNIQAMH-UHFFFAOYSA-N	-1	2	244.206	0.781	40	5		BCBBLM
Cc1cc([N+](=O)[O-])ccc1[P@@](=O)([O-])O	ZINC000001870291	178272722	/nfs/dbraw/zinc/27/27/22/178272722.db2.gz	NKVDWVIMDKLENB-UHFFFAOYSA-N	-1	2	217.117	0.706	40	5		BCBBLM
Cc1cc([N+](=O)[O-])ccc1[P@](=O)([O-])O	ZINC000001870291	178272723	/nfs/dbraw/zinc/27/27/23/178272723.db2.gz	NKVDWVIMDKLENB-UHFFFAOYSA-N	-1	2	217.117	0.706	40	5		BCBBLM
O=c1cc([O-])c2cc3c(O)cc(=O)[nH]c3nc2[nH]1	ZINC000005338010	342762210	/nfs/dbraw/zinc/76/22/10/342762210.db2.gz	MAOCWKCDCXFXKG-UHFFFAOYSA-N	-1	2	245.194	0.176	40	5		BCBBLM
Cc1ccc([P@@](=O)([O-])O)c([N+](=O)[O-])c1	ZINC000001725592	383931189	/nfs/dbraw/zinc/93/11/89/383931189.db2.gz	HIGWXQMNWCLHJA-UHFFFAOYSA-N	-1	2	217.117	0.706	40	5		BCBBLM
Cc1ccc([P@](=O)([O-])O)c([N+](=O)[O-])c1	ZINC000001725592	383931196	/nfs/dbraw/zinc/93/11/96/383931196.db2.gz	HIGWXQMNWCLHJA-UHFFFAOYSA-N	-1	2	217.117	0.706	40	5		BCBBLM
Cc1ccc([N+](=O)[O-])cc1[P@@](=O)([O-])O	ZINC000199208276	385563540	/nfs/dbraw/zinc/56/35/40/385563540.db2.gz	PCCDEKSKEUBJRE-UHFFFAOYSA-N	-1	2	217.117	0.706	40	5		BCBBLM
Cc1ccc([N+](=O)[O-])cc1[P@](=O)([O-])O	ZINC000199208276	385563543	/nfs/dbraw/zinc/56/35/43/385563543.db2.gz	PCCDEKSKEUBJRE-UHFFFAOYSA-N	-1	2	217.117	0.706	40	5		BCBBLM
Cc1ccc([N+](=O)[O-])c([P@@](=O)([O-])O)c1	ZINC000001870295	358991020	/nfs/dbraw/zinc/99/10/20/358991020.db2.gz	GMKUXZNZPRWWSH-UHFFFAOYSA-N	-1	2	217.117	0.706	40	5		BCBBLM
Cc1ccc([N+](=O)[O-])c([P@](=O)([O-])O)c1	ZINC000001870295	358991024	/nfs/dbraw/zinc/99/10/24/358991024.db2.gz	GMKUXZNZPRWWSH-UHFFFAOYSA-N	-1	2	217.117	0.706	40	5		BCBBLM
Cc1cc([P@@](=O)([O-])O)ccc1[N+](=O)[O-]	ZINC000001870302	178215590	/nfs/dbraw/zinc/21/55/90/178215590.db2.gz	XBCISKBYPDYYIS-UHFFFAOYSA-N	-1	2	217.117	0.706	40	5		BCBBLM
Cc1cc([P@](=O)([O-])O)ccc1[N+](=O)[O-]	ZINC000001870302	178215591	/nfs/dbraw/zinc/21/55/91/178215591.db2.gz	XBCISKBYPDYYIS-UHFFFAOYSA-N	-1	2	217.117	0.706	40	5		BCBBLM
Cc1c([O-])c([N+](=O)[O-])c(=O)[nH]c1Cl	ZINC000071255555	384746122	/nfs/dbraw/zinc/74/61/22/384746122.db2.gz	ZWIROQNFPPQVBG-UHFFFAOYSA-N	-1	2	204.569	0.951	40	5		BCBBLM