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)NCCC[NH+]3CCOCC3)[C@@H]21	ZINC000218064139	569882631	/nfs/dbraw/zinc/88/26/31/569882631.db2.gz	MEWRPWHRRGTVEN-XMMPIXPASA-N	1	1	494.548	1.657	50	70	biogenic	JDIAMO
O=c1cc(C[NH+]2CCCCC2)oc(CN2CCCN(S(=O)(=O)N3CCCC3)CC2)c1O	ZINC000218530736	569883398	/nfs/dbraw/zinc/88/33/98/569883398.db2.gz	SUTQGAOCBMCERP-UHFFFAOYSA-N	1	1	454.593	1.180	50	70		JDIAMO
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1OC	ZINC000217726004	569881232	/nfs/dbraw/zinc/88/12/32/569881232.db2.gz	REQQXXMYGWINDI-SLFFLAALSA-N	1	1	472.586	1.938	50	70	biogenic	JDIAMO
O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217743639	569881343	/nfs/dbraw/zinc/88/13/43/569881343.db2.gz	WSGKEUMMWFYOAF-GBESFXJTSA-N	1	1	456.543	1.997	50	70	biogenic	JDIAMO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCC[NH+]3CCOCC3)[C@H]21	ZINC000218064051	569882629	/nfs/dbraw/zinc/88/26/29/569882629.db2.gz	MEWRPWHRRGTVEN-DEOSSOPVSA-N	1	1	494.548	1.657	50	70	biogenic	JDIAMO
COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1OC	ZINC000217631508	569880744	/nfs/dbraw/zinc/88/07/44/569880744.db2.gz	JJOKBCSPXZBUFP-GBESFXJTSA-N	1	1	458.559	1.895	50	70	biogenic	JDIAMO