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]2CCC[N@@H+](C)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000035124367	520495038	/nfs/dbraw/zinc/49/50/38/520495038.db2.gz	DGCDHIKFGBFIMZ-NQIIRXRSSA-N	1	1	443.500	3.030	10	5		IGBEMO
CCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCC[N@@H+](C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000022521016	520494004	/nfs/dbraw/zinc/49/40/04/520494004.db2.gz	DGCDHIKFGBFIMZ-WIYYLYMNSA-N	1	1	443.500	3.030	10	5		IGBEMO
CCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCC[N@@H+](C)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000035124370	520493950	/nfs/dbraw/zinc/49/39/50/520493950.db2.gz	DGCDHIKFGBFIMZ-RXVVDRJESA-N	1	1	443.500	3.030	10	5		IGBEMO
O=C(c1ccc2nc3ccc(Cl)cc3c(=O)n2c1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000020646341	526736844	/nfs/dbraw/zinc/73/68/44/526736844.db2.gz	KSJDIVYLSPNCGU-UHFFFAOYSA-N	1	1	432.911	3.459	10	5		IGBEMO
CCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCC[N@@H+](C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000022521020	520494562	/nfs/dbraw/zinc/49/45/62/520494562.db2.gz	DGCDHIKFGBFIMZ-GHTZIAJQSA-N	1	1	443.500	3.030	10	5		IGBEMO