smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1O	ZINC000001651909	357064038	/nfs/dbraw/zinc/06/40/38/357064038.db2.gz	JBMAUZQHVVHPEL-UHFFFAOYSA-N	-1	2	219.174	0.547	50	5		BCBALM
O=[N+]([O-])c1ccc([P@](=O)([O-])O)cc1	ZINC000001555517	342702874	/nfs/dbraw/zinc/70/28/74/342702874.db2.gz	CBWCNKVANCTCAD-UHFFFAOYSA-N	-1	2	203.090	0.398	50	5		BCBALM
O=[N+]([O-])c1ccc([P@@](=O)([O-])O)cc1	ZINC000001555517	342702875	/nfs/dbraw/zinc/70/28/75/342702875.db2.gz	CBWCNKVANCTCAD-UHFFFAOYSA-N	-1	2	203.090	0.398	50	5		BCBALM
Cc1cc([N+](=O)[O-])cc([P@@](=O)([O-])O)c1	ZINC000003132639	188275532	/nfs/dbraw/zinc/27/55/32/188275532.db2.gz	SDCQMEQCOBYSQI-UHFFFAOYSA-N	-1	2	217.117	0.706	50	5		BCBALM
Cc1cc([N+](=O)[O-])cc([P@](=O)([O-])O)c1	ZINC000003132639	188275534	/nfs/dbraw/zinc/27/55/34/188275534.db2.gz	SDCQMEQCOBYSQI-UHFFFAOYSA-N	-1	2	217.117	0.706	50	5		BCBALM
O=C([O-])c1n[nH]c2ncc([N+](=O)[O-])cc12	ZINC000095836821	388786599	/nfs/dbraw/zinc/78/65/99/388786599.db2.gz	IKRZBWRXRGSIBG-UHFFFAOYSA-N	-1	2	208.133	0.564	50	5		BCBALM
COC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1[O-]	ZINC000040564639	373503969	/nfs/dbraw/zinc/50/39/69/373503969.db2.gz	XFKYOFYOTZRQAW-UHFFFAOYSA-N	-1	2	214.133	0.188	50	5		BCBALM
COC(=O)c1c[nH]c([O-])c([N+](=O)[O-])c1=O	ZINC000040564639	373503981	/nfs/dbraw/zinc/50/39/81/373503981.db2.gz	XFKYOFYOTZRQAW-UHFFFAOYSA-N	-1	2	214.133	0.188	50	5		BCBALM
COc1cc([N+](=O)[O-])ccc1[P@@](=O)([O-])O	ZINC000001725593	175018356	/nfs/dbraw/zinc/01/83/56/175018356.db2.gz	BWDAHECHVSVBTM-UHFFFAOYSA-N	-1	2	233.116	0.406	50	5		BCBALM
COc1cc([N+](=O)[O-])ccc1[P@](=O)([O-])O	ZINC000001725593	175018358	/nfs/dbraw/zinc/01/83/58/175018358.db2.gz	BWDAHECHVSVBTM-UHFFFAOYSA-N	-1	2	233.116	0.406	50	5		BCBALM
O=[N+]([O-])c1cccc([P@](=O)([O-])O)c1	ZINC000001555516	356701716	/nfs/dbraw/zinc/70/17/16/356701716.db2.gz	OXWXINKWKITCIH-UHFFFAOYSA-N	-1	2	203.090	0.398	50	5		BCBALM
O=[N+]([O-])c1cccc([P@@](=O)([O-])O)c1	ZINC000001555516	356701719	/nfs/dbraw/zinc/70/17/19/356701719.db2.gz	OXWXINKWKITCIH-UHFFFAOYSA-N	-1	2	203.090	0.398	50	5		BCBALM