smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2=O)cc1	ZINC000218124157	568475237	/nfs/dbraw/zinc/47/52/37/568475237.db2.gz	ZKYRGLSMIXUZLN-KRWDZBQOSA-N	1	0	416.522	1.931	50	70		HDIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000218123868	568475197	/nfs/dbraw/zinc/47/51/97/568475197.db2.gz	BFTNKUBUTTYVDD-LPHOPBHVSA-N	1	0	411.506	1.621	50	70		HDIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	ZINC000218226895	568476592	/nfs/dbraw/zinc/47/65/92/568476592.db2.gz	NKWRFWXZSZUDIA-CVEARBPZSA-N	1	0	418.494	1.115	50	70		HDIARO
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CC[NH+](Cc2cccnc2)CC1	ZINC000218344269	568478860	/nfs/dbraw/zinc/47/88/60/568478860.db2.gz	WAQZYKRESISBCJ-IBGZPJMESA-N	1	0	407.474	1.303	50	70		HDIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O	ZINC000218360399	568479210	/nfs/dbraw/zinc/47/92/10/568479210.db2.gz	QRXZFZFPYQXLRG-WMZOPIPTSA-N	1	0	402.495	1.496	50	70		HDIARO
O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217890887	568918110	/nfs/dbraw/zinc/91/81/10/568918110.db2.gz	SYKNUZNEAKWIRA-SLFFLAALSA-N	1	0	412.534	1.920	50	70	biogenic	HDIARO
COc1ccc(N2C(=O)N[C@@H](CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000218126924	568926343	/nfs/dbraw/zinc/92/63/43/568926343.db2.gz	SPBQKENQJALNBD-ZYSHUDEJSA-N	1	0	414.506	1.891	50	70	biogenic	HDIARO
COc1cc2ncn(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)c2cc1OC	ZINC000217773945	568911436	/nfs/dbraw/zinc/91/14/36/568911436.db2.gz	BMCMFXYLUJCSQB-MAUKXSAKSA-N	1	0	414.506	1.794	50	70	biogenic	HDIARO
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217707439	568907307	/nfs/dbraw/zinc/90/73/07/568907307.db2.gz	WVJJWTZEDHNRFR-RYQLBKOJSA-N	1	0	402.495	1.861	50	70	biogenic	HDIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	ZINC000218226974	568476624	/nfs/dbraw/zinc/47/66/24/568476624.db2.gz	NKWRFWXZSZUDIA-HOTGVXAUSA-N	1	0	418.494	1.115	50	70		HDIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000218347222	568478827	/nfs/dbraw/zinc/47/88/27/568478827.db2.gz	XQZGFVDQBHBXOC-CVEARBPZSA-N	1	0	416.478	1.216	50	70		HDIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O	ZINC000218360310	568479200	/nfs/dbraw/zinc/47/92/00/568479200.db2.gz	QRXZFZFPYQXLRG-AEFFLSMTSA-N	1	0	402.495	1.496	50	70		HDIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000218123787	568475287	/nfs/dbraw/zinc/47/52/87/568475287.db2.gz	BFTNKUBUTTYVDD-APWZRJJASA-N	1	0	411.506	1.621	50	70		HDIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000218347308	568478979	/nfs/dbraw/zinc/47/89/79/568478979.db2.gz	XQZGFVDQBHBXOC-HOTGVXAUSA-N	1	0	416.478	1.216	50	70		HDIARO