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(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCNCC1	ZINC000261866053	154203338	/nfs/dbraw/zinc/20/33/38/154203338.db2.gz	GNEQUCJGOGASCA-UHFFFAOYSA-N	0	1	328.350	-0.695	50	5		EBBAMN
O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCNCC1	ZINC000314902641	380573690	/nfs/dbraw/zinc/57/36/90/380573690.db2.gz	BWRSQJORKMDGGU-UHFFFAOYSA-N	0	1	328.350	-0.695	50	5		EBBAMN
NC(=O)C[C@@H](C(=O)[O-])[N@H+]1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2	ZINC000008424894	303255519	/nfs/dbraw/zinc/25/55/19/303255519.db2.gz	ZRIXWRFYEQZBJA-AXTRIDKLSA-N	0	1	328.281	-0.988	50	5		EBBAMN
NC(=O)C[C@@H](C(=O)[O-])[N@@H+]1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2	ZINC000008424894	303255520	/nfs/dbraw/zinc/25/55/20/303255520.db2.gz	ZRIXWRFYEQZBJA-AXTRIDKLSA-N	0	1	328.281	-0.988	50	5		EBBAMN
O=c1c2cc3c(ccn(-n4cnnc4)c3=O)nc2ccn1-c1nnc[nH]1	ZINC000040372888	285209346	/nfs/dbraw/zinc/20/93/46/285209346.db2.gz	TUVKRQCKKAXMFG-UHFFFAOYSA-N	0	1	347.298	-0.278	50	5		EBBAMN
NC(=N[N+](=O)[O-])NCCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004820553	210288099	/nfs/dbraw/zinc/28/80/99/210288099.db2.gz	LNWGWFVAPQTGMG-SNVBAGLBSA-N	0	1	339.312	-0.054	50	5		EBBAMN