smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(CC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000001734981	169752923	/nfs/dbraw/zinc/75/29/23/169752923.db2.gz	ATZHFNVTBPMMFR-SNVBAGLBSA-N	-2	0	280.280	0.246	10	10		CCCERL
O=C([O-])C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000006505385	170207932	/nfs/dbraw/zinc/20/79/32/170207932.db2.gz	PMKQSEYPLQIEAY-XCRNYIDWSA-N	-2	0	296.231	0.582	10	10	endogenous,in-man	CCCERL
CC[C@@H]1SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C1=O	ZINC000072412554	176398824	/nfs/dbraw/zinc/39/88/24/176398824.db2.gz	TWTVQFRGCXSHKJ-WDSKDSINSA-N	-2	0	291.350	0.943	10	10		CCCERL
Cc1[n-][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000256009524	190001576	/nfs/dbraw/zinc/00/15/76/190001576.db2.gz	WQRZBPGAKFJRGU-VIFPVBQESA-N	-2	0	261.241	0.925	10	10		CCCERL
CC[C@@H]1SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000072412550	176398967	/nfs/dbraw/zinc/39/89/67/176398967.db2.gz	CCJFIIABWXECAK-WHFBIAKZSA-N	-2	0	277.323	0.553	10	10		CCCERL
O=C([O-])C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000001531858	169712296	/nfs/dbraw/zinc/71/22/96/169712296.db2.gz	PMKQSEYPLQIEAY-YWNRKNDBSA-N	-2	0	296.231	0.582	10	10	endogenous,in-man	CCCERL
CC[C@H]1SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C1=O	ZINC000072412555	176398941	/nfs/dbraw/zinc/39/89/41/176398941.db2.gz	TWTVQFRGCXSHKJ-PHDIDXHHSA-N	-2	0	291.350	0.943	10	10		CCCERL
CC[C@H]1SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000072412549	176398947	/nfs/dbraw/zinc/39/89/47/176398947.db2.gz	CCJFIIABWXECAK-CRCLSJGQSA-N	-2	0	277.323	0.553	10	10		CCCERL
CC[C@H]1SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000072412551	176398871	/nfs/dbraw/zinc/39/88/71/176398871.db2.gz	CCJFIIABWXECAK-RFZPGFLSSA-N	-2	0	277.323	0.553	10	10		CCCERL
Cc1[n-][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000100395997	281702754	/nfs/dbraw/zinc/70/27/54/281702754.db2.gz	WQRZBPGAKFJRGU-ASLCJXLESA-N	-2	0	261.241	0.925	10	10		CCCERL
CC[C@@H]1SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C1=O	ZINC000072412556	176399118	/nfs/dbraw/zinc/39/91/18/176399118.db2.gz	TWTVQFRGCXSHKJ-RITPCOANSA-N	-2	0	291.350	0.943	10	10		CCCERL
Cc1[n-][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000100395993	389071366	/nfs/dbraw/zinc/07/13/66/389071366.db2.gz	WQRZBPGAKFJRGU-IRUFBXEESA-N	-2	0	261.241	0.925	10	10		CCCERL
Cc1[n-][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000100395988	389071415	/nfs/dbraw/zinc/07/14/15/389071415.db2.gz	WQRZBPGAKFJRGU-FZPGPQOYSA-N	-2	0	261.241	0.925	10	10		CCCERL
Cc1[n-][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000256009523	190001779	/nfs/dbraw/zinc/00/17/79/190001779.db2.gz	WQRZBPGAKFJRGU-SECBINFHSA-N	-2	0	261.241	0.925	10	10		CCCERL
CC[C@@H]1SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000072412552	176398768	/nfs/dbraw/zinc/39/87/68/176398768.db2.gz	CCJFIIABWXECAK-UHNVWZDZSA-N	-2	0	277.323	0.553	10	10		CCCERL
Cc1[n-][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000100395991	389071431	/nfs/dbraw/zinc/07/14/31/389071431.db2.gz	WQRZBPGAKFJRGU-SOLLPLKKSA-N	-2	0	261.241	0.925	10	10		CCCERL
Nc1ccc(CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000005580858	170115824	/nfs/dbraw/zinc/11/58/24/170115824.db2.gz	ATZHFNVTBPMMFR-JTQLQIEISA-N	-2	0	280.280	0.246	10	10		CCCERL
CC[C@H]1SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C1=O	ZINC000072412553	176399004	/nfs/dbraw/zinc/39/90/04/176399004.db2.gz	TWTVQFRGCXSHKJ-NTSWFWBYSA-N	-2	0	291.350	0.943	10	10		CCCERL
O=C([O-])[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21	ZINC000004632611	304175071	/nfs/dbraw/zinc/17/50/71/304175071.db2.gz	JFJWMFPFMLRLMI-VKHMYHEASA-N	-2	0	292.199	0.664	10	10	biogenic,in-vitro	CCCERL