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(CNC(=O)Cn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCCCC1	ZINC000818027172	583733871	/nfs/dbraw/zinc/73/38/71/583733871.db2.gz	SMAMLNWWSWPRFH-UHFFFAOYSA-N	1	0	338.368	-0.490	50	5		EBBARO
O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1	ZINC000261866053	154203334	/nfs/dbraw/zinc/20/33/34/154203334.db2.gz	GNEQUCJGOGASCA-UHFFFAOYSA-N	1	0	328.350	-0.695	50	5		EBBARO
O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1	ZINC000314902641	380573677	/nfs/dbraw/zinc/57/36/77/380573677.db2.gz	BWRSQJORKMDGGU-UHFFFAOYSA-N	1	0	328.350	-0.695	50	5		EBBARO
O=C1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C2(C[NH2+]C2)CN1	ZINC000725373166	650036800	/nfs/dbraw/zinc/03/68/00/650036800.db2.gz	PAXBAFRGGJBPNT-UHFFFAOYSA-N	1	0	326.334	-0.943	50	5		EBBARO
NC(=N[N+](=O)[O-])NCCC[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004820553	210288095	/nfs/dbraw/zinc/28/80/95/210288095.db2.gz	LNWGWFVAPQTGMG-SNVBAGLBSA-N	1	0	339.312	-0.054	50	5		EBBARO