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(CCCC(=O)NCCc3c[nH]cn3)[C@H]21	ZINC000217711275	569881118	/nfs/dbraw/zinc/88/11/18/569881118.db2.gz	WNFWOJYURUNPSY-DEOSSOPVSA-N	1	0	489.532	2.681	50	70	biogenic	JFIARO
O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217607328	569880499	/nfs/dbraw/zinc/88/04/99/569880499.db2.gz	AZLAMAJGRJSGCD-AJSBUHFISA-N	1	0	465.598	2.792	50	70	biogenic	JFIARO
CC1(C)CC(NC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)CC(C)(C)[NH2+]1	ZINC000218158444	569882967	/nfs/dbraw/zinc/88/29/67/569882967.db2.gz	QEJCZYGZZCAOAQ-FQEVSTJZSA-N	1	0	453.587	2.836	50	70		JFIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21	ZINC000217851768	569881855	/nfs/dbraw/zinc/88/18/55/569881855.db2.gz	MQVIMSHJAAFVPS-CRICUBBOSA-N	1	0	492.576	2.809	50	70	biogenic	JFIARO
COC(=O)COc1ccc([C@@H](CC(=O)OC)c2oc(CN3CCCCC3)cc(=O)c2O)cc1OC	ZINC000218108949	569882746	/nfs/dbraw/zinc/88/27/46/569882746.db2.gz	WOQCJQGQMKQXLI-GOSISDBHSA-N	1	0	489.521	2.587	50	70	biogenic	JFIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21	ZINC000217851833	569881804	/nfs/dbraw/zinc/88/18/04/569881804.db2.gz	MQVIMSHJAAFVPS-SSOJOUAXSA-N	1	0	492.576	2.809	50	70	biogenic	JFIARO
COC(=O)COc1ccc([C@H](CC(=O)OC)c2oc(CN3CCCCC3)cc(=O)c2O)cc1OC	ZINC000218109022	569882736	/nfs/dbraw/zinc/88/27/36/569882736.db2.gz	WOQCJQGQMKQXLI-SFHVURJKSA-N	1	0	489.521	2.587	50	70	biogenic	JFIARO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCCc3c[nH]cn3)[C@@H]21	ZINC000217711349	569881198	/nfs/dbraw/zinc/88/11/98/569881198.db2.gz	WNFWOJYURUNPSY-XMMPIXPASA-N	1	0	489.532	2.681	50	70	biogenic	JFIARO