smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(C(=O)OCCCl)CC4)CC[C@H]2C1	ZINC001164854781	720845959	/nfs/dbraw/zinc/84/59/59/720845959.db2.gz	SGYRVMHNBVHUDZ-YJBOKZPZSA-N	1	1	488.416	2.037	20	50		JEGDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164929954	721856804	/nfs/dbraw/zinc/85/68/04/721856804.db2.gz	QUWXCPDLSLRPEG-DLBZAZTESA-N	1	1	457.406	2.078	20	50		JEGDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164929954	721856806	/nfs/dbraw/zinc/85/68/06/721856806.db2.gz	QUWXCPDLSLRPEG-DLBZAZTESA-N	1	1	457.406	2.078	20	50		JEGDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164929958	721856576	/nfs/dbraw/zinc/85/65/76/721856576.db2.gz	QUWXCPDLSLRPEG-IAGOWNOFSA-N	1	1	457.406	2.078	20	50		JEGDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164929958	721856578	/nfs/dbraw/zinc/85/65/78/721856578.db2.gz	QUWXCPDLSLRPEG-IAGOWNOFSA-N	1	1	457.406	2.078	20	50		JEGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2C1	ZINC001164968034	722070215	/nfs/dbraw/zinc/07/02/15/722070215.db2.gz	YVXSIWNSCQZULM-GASCZTMLSA-N	1	1	456.374	2.163	20	50		JEGDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(C(=O)OCCCl)CC4)CC[C@H]2C1	ZINC001164854779	720845529	/nfs/dbraw/zinc/84/55/29/720845529.db2.gz	SGYRVMHNBVHUDZ-MAUKXSAKSA-N	1	1	488.416	2.037	20	50		JEGDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(C(=O)OCCCl)CC4)CC[C@@H]2C1	ZINC001164854778	720845779	/nfs/dbraw/zinc/84/57/79/720845779.db2.gz	SGYRVMHNBVHUDZ-CRAIPNDOSA-N	1	1	488.416	2.037	20	50		JEGDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)CC2	ZINC001164682678	719709298	/nfs/dbraw/zinc/70/92/98/719709298.db2.gz	GMPNZDYKFXYYAH-UHFFFAOYSA-N	1	1	485.416	2.044	20	50		JEGDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(C(=O)OCCCl)CC4)CC[C@@H]2C1	ZINC001164854780	720845578	/nfs/dbraw/zinc/84/55/78/720845578.db2.gz	SGYRVMHNBVHUDZ-QAPCUYQASA-N	1	1	488.416	2.037	20	50		JEGDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164929967	721856679	/nfs/dbraw/zinc/85/66/79/721856679.db2.gz	QUWXCPDLSLRPEG-SJORKVTESA-N	1	1	457.406	2.078	20	50		JEGDMO
CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164929967	721856682	/nfs/dbraw/zinc/85/66/82/721856682.db2.gz	QUWXCPDLSLRPEG-SJORKVTESA-N	1	1	457.406	2.078	20	50		JEGDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164929962	721856769	/nfs/dbraw/zinc/85/67/69/721856769.db2.gz	QUWXCPDLSLRPEG-IRXDYDNUSA-N	1	1	457.406	2.078	20	50		JEGDMO
CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164929962	721856771	/nfs/dbraw/zinc/85/67/71/721856771.db2.gz	QUWXCPDLSLRPEG-IRXDYDNUSA-N	1	1	457.406	2.078	20	50		JEGDMO