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(c1cn(C[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1)N1CCCC1	ZINC000011784074	559259228	/nfs/dbraw/zinc/25/92/28/559259228.db2.gz	BLWMOHMDLLAPHF-HNNXBMFYSA-N	0	1	403.914	2.785	10	10		HFCEMN
O=C(c1cn(C[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nn1)N1CCCC1	ZINC000011784074	559259230	/nfs/dbraw/zinc/25/92/30/559259230.db2.gz	BLWMOHMDLLAPHF-HNNXBMFYSA-N	0	1	403.914	2.785	10	10		HFCEMN
O=C(c1cn(C[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nn1)N1CCCC1	ZINC000011784074	559259232	/nfs/dbraw/zinc/25/92/32/559259232.db2.gz	BLWMOHMDLLAPHF-HNNXBMFYSA-N	0	1	403.914	2.785	10	10		HFCEMN
O=C(c1cn(C[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1)N1CCCC1	ZINC000011784073	559259152	/nfs/dbraw/zinc/25/91/52/559259152.db2.gz	BLWMOHMDLLAPHF-OAHLLOKOSA-N	0	1	403.914	2.785	10	10		HFCEMN
O=C(c1cn(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nn1)N1CCCC1	ZINC000011784073	559259154	/nfs/dbraw/zinc/25/91/54/559259154.db2.gz	BLWMOHMDLLAPHF-OAHLLOKOSA-N	0	1	403.914	2.785	10	10		HFCEMN
O=C(c1cn(C[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nn1)N1CCCC1	ZINC000011784073	559259155	/nfs/dbraw/zinc/25/91/55/559259155.db2.gz	BLWMOHMDLLAPHF-OAHLLOKOSA-N	0	1	403.914	2.785	10	10		HFCEMN
CCc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)o3)C(=O)NC2=S)cc1	ZINC000005791359	132308015	/nfs/dbraw/zinc/30/80/15/132308015.db2.gz	QMERMNMKVZXPKA-LGMDPLHJSA-N	0	1	411.483	2.510	10	10		HFCEMN