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(CCCC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)Nc1nnc(-c2nc([N+](=O)[O-])c[nH]2)s1	ZINC000027517264	563044460	/nfs/dbraw/zinc/04/44/60/563044460.db2.gz	WTMFPXMQCAJYAW-TVWFMYDNSA-N	0	0	487.451	-2.139	1	5		JABFRN
NC(=O)c1cc(N(CCOS(N)(=O)=O)CCOS(N)(=O)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000035270423	563119726	/nfs/dbraw/zinc/11/97/26/563119726.db2.gz	APNIXITWQDHRHU-UHFFFAOYSA-N	0	0	472.414	-2.152	1	5		JABFRN
C[C@@H]1NC(=O)c2cc([N+](=O)[O-])cc(F)c2NCCC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O	ZINC000008690390	562953846	/nfs/dbraw/zinc/95/38/46/562953846.db2.gz	DJBASJSZPLFFCX-HJIKLVIJSA-N	0	0	481.441	-1.612	3	5		JABFRN