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-])c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000004501602	181115640	/nfs/dbraw/zinc/11/56/40/181115640.db2.gz	WTVSECVMOHYKGX-ZZXKWVIFSA-N	-2	0	303.230	0.840	50	5		DCBARL
O=C([O-])c1n[nH]c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000005345161	181232595	/nfs/dbraw/zinc/23/25/95/181232595.db2.gz	GGSKSLIUFNRGIU-UHFFFAOYSA-N	-2	0	313.251	0.212	50	5		DCBARL
CC(=O)N[C@@H](Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000001730677	278140809	/nfs/dbraw/zinc/14/08/09/278140809.db2.gz	CFKZKLOBRPCKTF-ZETCQYMHSA-N	-2	0	313.222	0.340	50	5		DCBARL
O=C([O-])CN(CC(=O)[O-])C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000004477781	181112164	/nfs/dbraw/zinc/11/21/64/181112164.db2.gz	CHOQRZNVBAGERF-UHFFFAOYSA-N	-2	0	312.234	0.703	50	5		DCBARL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([N+](=O)[O-])c([O-])c2)[nH]1	ZINC000141857693	395958244	/nfs/dbraw/zinc/95/82/44/395958244.db2.gz	IWZFVUKTQXNPNL-HNQUOIGGSA-N	-2	0	320.217	0.756	50	5		DCBARL
CS(=O)(=O)c1ccc(C(C(=O)[O-])C(=O)[O-])c([N+](=O)[O-])c1	ZINC000044199102	183398822	/nfs/dbraw/zinc/39/88/22/183398822.db2.gz	POVXPGPAWCAGJE-UHFFFAOYSA-N	-2	0	303.248	0.251	50	5		DCBARL
CC(=O)N[C@H](Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000001782762	278176375	/nfs/dbraw/zinc/17/63/75/278176375.db2.gz	CFKZKLOBRPCKTF-SSDOTTSWSA-N	-2	0	313.222	0.340	50	5		DCBARL