smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)Cn1cc(-c2ccc(F)c(C(=O)[O-])c2)cc(C(=O)[O-])c1=O	ZINC000725262340	570317023	/nfs/dbraw/zinc/31/70/23/570317023.db2.gz	VKECSKADFIRWSA-UHFFFAOYSA-N	-2	0	391.351	2.393	10	0		GEAERL
Cc1nn(CC(=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000065395352	205233051	/nfs/dbraw/zinc/23/30/51/205233051.db2.gz	LAVRPVZUADOOPZ-UHFFFAOYSA-N	-2	0	377.344	2.404	10	0		GEAERL
O=C([O-])c1ccc2c([O-])c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1	ZINC000085346521	526384928	/nfs/dbraw/zinc/38/49/28/526384928.db2.gz	UWYKIUPHGCBVPC-UHFFFAOYSA-N	-2	0	379.777	2.418	10	0		GEAERL
O=C([O-])CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[N-]OCc1ccccc1	ZINC000098044376	209018428	/nfs/dbraw/zinc/01/84/28/209018428.db2.gz	DJBNJBTZHPRSPC-QGZVFWFLSA-N	-2	0	386.404	2.394	10	0		GEAERL
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCCC2)cc1	ZINC000035479676	570367393	/nfs/dbraw/zinc/36/73/93/570367393.db2.gz	FTFZUBTWJLGJSA-UHFFFAOYSA-N	-2	0	377.422	2.189	10	0		GEAERL
O=C([O-])[C@@H]1O[C@H](c2ccccc2)O[C@@H]2[C@@H](C(=O)[O-])O[C@@H](c3ccccc3)O[C@H]12	ZINC000035643935	570556763	/nfs/dbraw/zinc/55/67/63/570556763.db2.gz	SAXMJKQNXWJEFL-DEGRCIOYSA-N	-2	0	386.356	2.121	10	0	in-vitro	GEAERL
CC(C)(c1ccc(OS(=O)(=O)[O-])cc1)c1ccc(OS(=O)(=O)[O-])cc1	ZINC000065734902	209135978	/nfs/dbraw/zinc/13/59/78/209135978.db2.gz	CFNHGEFYZSZOMZ-UHFFFAOYSA-N	-2	0	388.419	2.376	10	0	in-vitro	GEAERL
O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1cncc(F)c1	ZINC000050200986	642677600	/nfs/dbraw/zinc/67/76/00/642677600.db2.gz	KPFQJCVTCNCMBN-UHFFFAOYSA-N	-2	0	375.175	2.482	10	0		GEAERL
O=C([O-])c1cccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2[O-])c1F	ZINC000023528858	209174221	/nfs/dbraw/zinc/17/42/21/209174221.db2.gz	AVSPOYRPPVBWPS-UHFFFAOYSA-N	-2	0	379.321	2.137	10	0		GEAERL
C[C@@H]1CCc2c(sc(NC(=O)CN3CCC(C(=O)[O-])CC3)c2C(=O)[O-])C1	ZINC000020342179	210329201	/nfs/dbraw/zinc/32/92/01/210329201.db2.gz	YJOXIQRUMILNGC-SNVBAGLBSA-N	-2	0	380.466	2.306	10	0		GEAERL
O=C([O-])[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2[C@@H](C(=O)[O-])O[C@@H](c3ccccc3)O[C@H]12	ZINC000035643939	570556791	/nfs/dbraw/zinc/55/67/91/570556791.db2.gz	SAXMJKQNXWJEFL-RDOJUESESA-N	-2	0	386.356	2.121	10	0	in-vitro	GEAERL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cl)cnc1N1CCOCC1	ZINC000035397700	570349029	/nfs/dbraw/zinc/34/90/29/570349029.db2.gz	CLVDMMRLVYEAFT-UHFFFAOYSA-N	-2	0	397.840	2.071	10	0		GEAERL
C[C@H](N[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026190167	212157377	/nfs/dbraw/zinc/15/73/77/212157377.db2.gz	PNSSUQNKHFUKLM-HOCLYGCPSA-N	-2	0	382.397	2.248	10	0		GEAERL
O=C([O-])[C@@H]1O[C@@H](c2ccccc2)O[C@H]2[C@@H](C(=O)[O-])O[C@@H](c3ccccc3)O[C@H]12	ZINC000035643932	570556817	/nfs/dbraw/zinc/55/68/17/570556817.db2.gz	SAXMJKQNXWJEFL-ODSSTKGDSA-N	-2	0	386.356	2.121	10	0	in-vitro	GEAERL
Cc1nn(CC(=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1	ZINC000055568803	222022804	/nfs/dbraw/zinc/02/28/04/222022804.db2.gz	WZYQLALHENFBJF-UHFFFAOYSA-N	-2	0	376.394	2.040	10	0		GEAERL
O=C([O-])c1ccc(Br)cc1[N-]S(=O)(=O)c1cncc(F)c1	ZINC000044260754	642572528	/nfs/dbraw/zinc/57/25/28/642572528.db2.gz	OOUKCRPFMADKGN-UHFFFAOYSA-N	-2	0	375.175	2.482	10	0		GEAERL
O=C([O-])[C@@H]1O[C@H](c2ccccc2)O[C@H]2[C@@H](C(=O)[O-])O[C@@H](c3ccccc3)O[C@H]12	ZINC000035643928	570556852	/nfs/dbraw/zinc/55/68/52/570556852.db2.gz	SAXMJKQNXWJEFL-KZVWXAQQSA-N	-2	0	386.356	2.121	10	0	in-vitro	GEAERL
COc1cc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(OC)c1OC	ZINC000013169167	221262517	/nfs/dbraw/zinc/26/25/17/221262517.db2.gz	IKXGZCGVRPYQRZ-UHFFFAOYSA-N	-2	0	375.333	2.361	10	0		GEAERL
O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000044242938	642571298	/nfs/dbraw/zinc/57/12/98/642571298.db2.gz	WXADXPUMRBYTOW-UHFFFAOYSA-N	-2	0	375.175	2.482	10	0		GEAERL