smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1	ZINC000005706593	556063603	/nfs/dbraw/zinc/06/36/03/556063603.db2.gz	KRITUIHLIOWZHL-UHFFFAOYSA-N	-1	0	437.409	-2.538	50	0		IAAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000006079512	556075293	/nfs/dbraw/zinc/07/52/93/556075293.db2.gz	YBRWBBGNDXSXKP-UHFFFAOYSA-N	-1	0	434.434	-1.103	50	0		IAAARM
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[n-]c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000012649667	519756731	/nfs/dbraw/zinc/75/67/31/519756731.db2.gz	ZHPKDRPRZNXDRZ-YMILTQATSA-N	-1	0	443.365	-1.813	50	0	biogenic	IAAARM
Nc1nnc2[nH]c(=O)c(C(=C([O-])c3cccc(O)c3)c3nn4c(N)nnc4[nH]c3=O)nn12	ZINC000019924514	569257153	/nfs/dbraw/zinc/25/71/53/569257153.db2.gz	KEPTXTLJQLYWME-UHFFFAOYSA-N	-1	0	436.352	-2.177	50	0		IAAARM
COc1c2c(cc3c1CC1(C(=O)NC(=O)NC1=O)[C@@H](c1c([O-])[nH]c(=O)[nH]c1=O)C3)OCO2	ZINC000020410917	569363996	/nfs/dbraw/zinc/36/39/96/569363996.db2.gz	SWDGHHQSMVVZQD-MRVPVSSYSA-N	-1	0	444.356	-1.259	50	0		IAAARM
COc1c2c(cc3c1CC1(C(=O)NC(=O)NC1=O)[C@H](c1c([O-])[nH]c(=O)[nH]c1=O)C3)OCO2	ZINC000020410920	569363932	/nfs/dbraw/zinc/36/39/32/569363932.db2.gz	SWDGHHQSMVVZQD-QMMMGPOBSA-N	-1	0	444.356	-1.259	50	0		IAAARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000024752264	557162608	/nfs/dbraw/zinc/16/26/08/557162608.db2.gz	RHJULRKABQGEIM-UHFFFAOYSA-N	-1	0	429.389	-1.058	50	0		IAAARM
CC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	ZINC000031157455	291300054	/nfs/dbraw/zinc/30/00/54/291300054.db2.gz	DGDWCRWJRNMRKX-DILZHRMZSA-N	-1	0	432.378	-2.776	50	0	biogenic,in-vitro	IAAARM
Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000031163718	291303588	/nfs/dbraw/zinc/30/35/88/291303588.db2.gz	WCVUIHQUPRXYKT-GWQNOCNDSA-N	-1	0	432.378	-1.706	50	0	biogenic,in-vitro	IAAARM
Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)C[C@](C)(O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000031163722	291303592	/nfs/dbraw/zinc/30/35/92/291303592.db2.gz	WCVUIHQUPRXYKT-XUGHYYTGSA-N	-1	0	432.378	-1.706	50	0	biogenic,in-vitro	IAAARM
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])N3CCOCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000071774763	556888107	/nfs/dbraw/zinc/88/81/07/556888107.db2.gz	XOYIJFWXUQCONN-QYVSTXNMSA-N	-1	0	432.330	-2.230	50	0	in-vitro	IAAARM