smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000035124367	520495042	/nfs/dbraw/zinc/49/50/42/520495042.db2.gz	DGCDHIKFGBFIMZ-NQIIRXRSSA-N	0	3	443.500	3.030	10	5		IGBEHN
CCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000022521016	520494010	/nfs/dbraw/zinc/49/40/10/520494010.db2.gz	DGCDHIKFGBFIMZ-WIYYLYMNSA-N	0	3	443.500	3.030	10	5		IGBEHN
CCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCCN(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000035124370	520493957	/nfs/dbraw/zinc/49/39/57/520493957.db2.gz	DGCDHIKFGBFIMZ-RXVVDRJESA-N	0	3	443.500	3.030	10	5		IGBEHN
CCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3ccccc3c(=O)c12	ZINC000003784462	562937809	/nfs/dbraw/zinc/93/78/09/562937809.db2.gz	NAMOLZVVTPNNTE-UHFFFAOYSA-N	0	3	433.599	3.218	10	5		IGBEHN
CCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCCN(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000022521020	520494571	/nfs/dbraw/zinc/49/45/71/520494571.db2.gz	DGCDHIKFGBFIMZ-GHTZIAJQSA-N	0	3	443.500	3.030	10	5		IGBEHN