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-])[C@@H]1CC(=O)Nc2nc(Nc3ccc(Oc4ccccc4)cc3)[n-]c(=O)c21	ZINC000019961313	570233836	/nfs/dbraw/zinc/23/38/36/570233836.db2.gz	PMPDCEXADMPHOY-CQSZACIVSA-N	-2	1	392.371	2.816	40	0		GFABML
Cc1cc([O-])c2c(C)c(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(=O)oc2c1	ZINC000100765756	208380577	/nfs/dbraw/zinc/38/05/77/208380577.db2.gz	VLOGMKZYJPGCIT-OKILXGFUSA-N	-2	1	387.432	2.665	40	0		GFABML
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000013078512	570745716	/nfs/dbraw/zinc/74/57/16/570745716.db2.gz	SCSOWNBFPCHNRT-UHFFFAOYSA-N	-2	1	377.418	2.681	40	0		GFABML
O=C([O-])C1=C[C@@H](c2ccccc2)c2c(=O)[n-]c(N3CCc4ccccc43)nc2N1	ZINC000102277092	570288271	/nfs/dbraw/zinc/28/82/71/570288271.db2.gz	MFLMQBVXJQWMIC-HNNXBMFYSA-N	-2	1	386.411	2.990	40	0		GFABML
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccccc1	ZINC000016978287	570936612	/nfs/dbraw/zinc/93/66/12/570936612.db2.gz	YHOKYZPGNYGHIO-UHFFFAOYSA-N	-2	1	389.458	2.683	40	0		GFABML
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NC[C@H]1CC[C@@H](C(=O)[O-])CC1	ZINC000217451070	211749340	/nfs/dbraw/zinc/74/93/40/211749340.db2.gz	YGSACYKGVCBPLQ-HDJSIYSDSA-N	-2	1	387.432	2.747	40	0		GFABML
O=C([O-])CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1	ZINC000034791436	570543891	/nfs/dbraw/zinc/54/38/91/570543891.db2.gz	NJEYMDMYJANFGC-UHFFFAOYSA-N	-2	1	391.430	2.714	40	0		GFABML
COc1ccc(C([O-])=C(CCC(=O)c2ccc([O-])cc2)S(C)(=O)=O)cc1	ZINC000001582512	209333663	/nfs/dbraw/zinc/33/36/63/209333663.db2.gz	ODPIBGNNQBZCSA-SFHVURJKSA-N	-2	1	376.430	2.660	40	0		GFABML
COc1cc(C=C2NC(=S)[N-]C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000015821427	211711290	/nfs/dbraw/zinc/71/12/90/211711290.db2.gz	NFLKBISKTFCXGX-RIYZIHGNSA-N	-2	1	384.413	2.729	40	0		GFABML
O=C([O-])c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000217505276	570317497	/nfs/dbraw/zinc/31/74/97/570317497.db2.gz	CTIZJAXOFQJFQQ-HNNXBMFYSA-N	-2	1	376.434	2.777	40	0		GFABML
O=C([O-])C1=C[C@H](c2ccccc2)c2c(=O)[n-]c(N3CCc4ccccc43)nc2N1	ZINC000102277098	570288181	/nfs/dbraw/zinc/28/81/81/570288181.db2.gz	MFLMQBVXJQWMIC-OAHLLOKOSA-N	-2	1	386.411	2.990	40	0		GFABML
O=C([O-])c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000217505358	570317286	/nfs/dbraw/zinc/31/72/86/570317286.db2.gz	CTIZJAXOFQJFQQ-OAHLLOKOSA-N	-2	1	376.434	2.777	40	0		GFABML
COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c2cccnc12	ZINC000223372314	570462745	/nfs/dbraw/zinc/46/27/45/570462745.db2.gz	OLJAOEZBKQEXSD-UHFFFAOYSA-N	-2	1	376.365	2.882	40	0		GFABML
COc1ccc(C([O-])=C(CCC(=O)c2ccc([O-])cc2)S(C)(=O)=O)cc1	ZINC000006411179	570479583	/nfs/dbraw/zinc/47/95/83/570479583.db2.gz	ODPIBGNNQBZCSA-GOSISDBHSA-N	-2	1	376.430	2.660	40	0		GFABML
O=C([O-])[C@H]1CC(=O)Nc2nc(Nc3ccc(Oc4ccccc4)cc3)[n-]c(=O)c21	ZINC000019961316	570233671	/nfs/dbraw/zinc/23/36/71/570233671.db2.gz	PMPDCEXADMPHOY-AWEZNQCLSA-N	-2	1	392.371	2.816	40	0		GFABML