smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCCn3cc[nH+]c3)[C@H]21	ZINC000217671330	569880982	/nfs/dbraw/zinc/88/09/82/569880982.db2.gz	QHMLPIXSCDKVRP-QHCPKHFHSA-N	1	2	475.505	2.222	50	70	biogenic	JEIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3c[nH+]c[nH]3)[C@@H]21	ZINC000217673334	569880965	/nfs/dbraw/zinc/88/09/65/569880965.db2.gz	JIZXTPSMGPORLD-HSZRJFAPSA-N	1	2	475.505	2.291	50	70	biogenic	JEIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3c[nH]c[nH+]3)[C@@H]21	ZINC000217673334	569880966	/nfs/dbraw/zinc/88/09/66/569880966.db2.gz	JIZXTPSMGPORLD-HSZRJFAPSA-N	1	2	475.505	2.291	50	70	biogenic	JEIALO
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](CCOc2ccccc2Cl)CC1	ZINC000217905143	569882056	/nfs/dbraw/zinc/88/20/56/569882056.db2.gz	LCXSDXQQTSCSIY-FQEVSTJZSA-N	1	2	470.957	2.394	50	70	biogenic	JEIALO
O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c(O)c1CN1CCn2c(nnc2C(F)(F)F)C1	ZINC000218246438	569883162	/nfs/dbraw/zinc/88/31/62/569883162.db2.gz	XSWMFZYYAJFVHU-UHFFFAOYSA-N	1	2	490.486	2.294	50	70		JEIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCCn3cc[nH+]c3)[C@@H]21	ZINC000217671403	569880996	/nfs/dbraw/zinc/88/09/96/569880996.db2.gz	QHMLPIXSCDKVRP-HSZRJFAPSA-N	1	2	475.505	2.222	50	70	biogenic	JEIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3c[nH+]c[nH]3)[C@H]21	ZINC000217673248	569880990	/nfs/dbraw/zinc/88/09/90/569880990.db2.gz	JIZXTPSMGPORLD-QHCPKHFHSA-N	1	2	475.505	2.291	50	70	biogenic	JEIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3c[nH]c[nH+]3)[C@H]21	ZINC000217673248	569880991	/nfs/dbraw/zinc/88/09/91/569880991.db2.gz	JIZXTPSMGPORLD-QHCPKHFHSA-N	1	2	475.505	2.291	50	70	biogenic	JEIALO