smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=NNc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)cc(Br)c1O	ZINC000048555419	522006755	/nfs/dbraw/zinc/00/67/55/522006755.db2.gz	UTQAEIZPZWDWKD-SCDVKCJHSA-N	0	1	465.308	2.002	10	30		JEEEMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000102587409	130217780	/nfs/dbraw/zinc/21/77/80/130217780.db2.gz	HUDXMGLAYWAIDP-HWZJSLFJSA-N	0	1	464.518	2.470	10	30		JEEEMN
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000020351053	555779982	/nfs/dbraw/zinc/77/99/82/555779982.db2.gz	IRBCUSYAIJAGSZ-MENVHETRSA-N	0	1	474.466	2.485	10	30		JEEEMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000102537683	130192717	/nfs/dbraw/zinc/19/27/17/130192717.db2.gz	ZVFAYSNKVOUUCM-RKKARLDVSA-N	0	1	452.507	2.458	10	30		JEEEMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@@H]2c2cccnc2)cc1	ZINC000102436362	536103270	/nfs/dbraw/zinc/10/32/70/536103270.db2.gz	JWUSEUQQZRFVDJ-RKKARLDVSA-N	0	1	498.605	2.240	10	30		JEEEMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@H]2c2cccnc2)cc1	ZINC000102436359	536103652	/nfs/dbraw/zinc/10/36/52/536103652.db2.gz	JWUSEUQQZRFVDJ-VFJWVMJUSA-N	0	1	498.605	2.240	10	30		JEEEMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000102537689	130192772	/nfs/dbraw/zinc/19/27/72/130192772.db2.gz	ZVFAYSNKVOUUCM-VFJWVMJUSA-N	0	1	452.507	2.458	10	30		JEEEMN