smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC[C@@H](O)Cn2c(NN=Cc3cc(Br)ccc3OC)nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000105638673	571408040	/nfs/dbraw/zinc/40/80/40/571408040.db2.gz	YZMUSORDNQWFFN-KHPGLPLVSA-N	0	1	587.431	2.099	10	30		KEEEMN
COc1ccc(OC[C@H](O)Cn2c(NN=Cc3cc(Br)ccc3OC)nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000105638678	571408029	/nfs/dbraw/zinc/40/80/29/571408029.db2.gz	YZMUSORDNQWFFN-DXOYIPFMSA-N	0	1	587.431	2.099	10	30		KEEEMN
CNC(=O)[C@@H](C)[C@H]1C(=O)C(C(=O)C=CC(C)=C[C@@H](C)[C@H]2O[C@@]3(C)O[C@H](C=C[C@@]34CO4)[C@@H]2C)C(=O)N1[C@@H]1CC[C@H](O)[C@H](C)O1	ZINC000169363256	562864321	/nfs/dbraw/zinc/86/43/21/562864321.db2.gz	KVTPRMVXYZKLIG-NCAOFHFGSA-N	0	1	600.709	2.460	10	30	in-vivo	KEEEMN