smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000216813330	568467998	/nfs/dbraw/zinc/46/79/98/568467998.db2.gz	MDRIIUBUGKPUCZ-GOSISDBHSA-N	1	1	401.555	1.353	50	70		HDIAMO
CCN(C)CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000216813330	568467999	/nfs/dbraw/zinc/46/79/99/568467999.db2.gz	MDRIIUBUGKPUCZ-GOSISDBHSA-N	1	1	401.555	1.353	50	70		HDIAMO
CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000218123868	568475199	/nfs/dbraw/zinc/47/51/99/568475199.db2.gz	BFTNKUBUTTYVDD-LPHOPBHVSA-N	1	1	411.506	1.621	50	70		HDIAMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	ZINC000218226895	568476593	/nfs/dbraw/zinc/47/65/93/568476593.db2.gz	NKWRFWXZSZUDIA-CVEARBPZSA-N	1	1	418.494	1.115	50	70		HDIAMO
CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O	ZINC000218360399	568479212	/nfs/dbraw/zinc/47/92/12/568479212.db2.gz	QRXZFZFPYQXLRG-WMZOPIPTSA-N	1	1	402.495	1.496	50	70		HDIAMO
O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217890887	568918111	/nfs/dbraw/zinc/91/81/11/568918111.db2.gz	SYKNUZNEAKWIRA-SLFFLAALSA-N	1	1	412.534	1.920	50	70	biogenic	HDIAMO
COc1ccc(N2C(=O)N[C@@H](CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000218126924	568926345	/nfs/dbraw/zinc/92/63/45/568926345.db2.gz	SPBQKENQJALNBD-ZYSHUDEJSA-N	1	1	414.506	1.891	50	70	biogenic	HDIAMO
O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCC[NH+]1CCOCC1	ZINC000218431936	568480321	/nfs/dbraw/zinc/48/03/21/568480321.db2.gz	XOOBCKLHFHUCEJ-SFHVURJKSA-N	1	1	410.474	1.493	50	70		HDIAMO
COc1cc2ncn(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)c2cc1OC	ZINC000217773945	568911439	/nfs/dbraw/zinc/91/14/39/568911439.db2.gz	BMCMFXYLUJCSQB-MAUKXSAKSA-N	1	1	414.506	1.794	50	70	biogenic	HDIAMO
O=c1cc(C[NH+]2CCCCC2)oc(CN2CCn3c(nnc3C(F)(F)F)C2)c1O	ZINC000218433409	568932532	/nfs/dbraw/zinc/93/25/32/568932532.db2.gz	FOKRAIBBJHIYCS-UHFFFAOYSA-N	1	1	413.400	1.957	50	70		HDIAMO
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217707439	568907309	/nfs/dbraw/zinc/90/73/09/568907309.db2.gz	WVJJWTZEDHNRFR-RYQLBKOJSA-N	1	1	402.495	1.861	50	70	biogenic	HDIAMO
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	ZINC000218440245	568480327	/nfs/dbraw/zinc/48/03/27/568480327.db2.gz	IKSJEIRQGQGNLW-FQEVSTJZSA-N	1	1	422.485	1.855	50	70		HDIAMO
CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	ZINC000218226974	568476625	/nfs/dbraw/zinc/47/66/25/568476625.db2.gz	NKWRFWXZSZUDIA-HOTGVXAUSA-N	1	1	418.494	1.115	50	70		HDIAMO
CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000218347222	568478829	/nfs/dbraw/zinc/47/88/29/568478829.db2.gz	XQZGFVDQBHBXOC-CVEARBPZSA-N	1	1	416.478	1.216	50	70		HDIAMO
CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O	ZINC000218360310	568479202	/nfs/dbraw/zinc/47/92/02/568479202.db2.gz	QRXZFZFPYQXLRG-AEFFLSMTSA-N	1	1	402.495	1.496	50	70		HDIAMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000218123787	568475289	/nfs/dbraw/zinc/47/52/89/568475289.db2.gz	BFTNKUBUTTYVDD-APWZRJJASA-N	1	1	411.506	1.621	50	70		HDIAMO
CC(C)S(=O)(=O)N1CCN(Cc2oc(C[NH+]3CCCCC3)cc(=O)c2O)CC1	ZINC000218493020	568481004	/nfs/dbraw/zinc/48/10/04/568481004.db2.gz	IFQLWHLIKOPTHY-UHFFFAOYSA-N	1	1	413.540	1.187	50	70		HDIAMO
CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000218347308	568478981	/nfs/dbraw/zinc/47/89/81/568478981.db2.gz	XQZGFVDQBHBXOC-HOTGVXAUSA-N	1	1	416.478	1.216	50	70		HDIAMO