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([N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1)c1ccccc1	ZINC000020509151	527160601	/nfs/dbraw/zinc/16/06/01/527160601.db2.gz	MTWSKQHDZTZEAL-UHFFFAOYSA-N	-1	2	474.545	3.186	50	30		JGEALM
C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000006574303	554552049	/nfs/dbraw/zinc/55/20/49/554552049.db2.gz	QSGLUFFYVLHCRO-PDGQHHTCSA-N	-1	2	464.474	3.116	50	30		JGEALM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000002982055	554417786	/nfs/dbraw/zinc/41/77/86/554417786.db2.gz	QSGLUFFYVLHCRO-LDADJPATSA-N	-1	2	464.474	3.116	50	30		JGEALM
COc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)c(C(=O)[O-])c1OC	ZINC000013661496	555556569	/nfs/dbraw/zinc/55/65/69/555556569.db2.gz	QNILVJUGBLQBJK-GQLBNTDBSA-N	-1	2	490.925	3.006	50	30		JGEALM
COc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)S2)c(C(=O)[O-])c1OC	ZINC000013661496	555556571	/nfs/dbraw/zinc/55/65/71/555556571.db2.gz	QNILVJUGBLQBJK-GQLBNTDBSA-N	-1	2	490.925	3.006	50	30		JGEALM
N#CCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2C(=O)[O-])CC1	ZINC000085593025	569711018	/nfs/dbraw/zinc/71/10/18/569711018.db2.gz	YDHNRGZPXAANJD-UHFFFAOYSA-N	-1	2	499.412	3.045	50	30		JGEALM
O=C([O-])c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1c2ccc(=O)cc-2oc2cc(O)ccc21	ZINC000060272338	569608600	/nfs/dbraw/zinc/60/86/00/569608600.db2.gz	SPMNXOMEOUHNMC-UHFFFAOYSA-N	-1	2	473.393	3.189	50	30		JGEALM
CC(C)(C)OC(=O)N=C(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])NC(=O)OC(C)(C)C	ZINC000015721594	518775060	/nfs/dbraw/zinc/77/50/60/518775060.db2.gz	BGOFOVHACSQSIE-ZDUSSCGKSA-N	-1	2	474.555	3.354	50	30		JGEALM
O=C([O-])Cc1sc([N-][NH+]=Cc2ccc(OCc3ccc(Br)cc3)cc2)nc1O	ZINC000006996796	554563212	/nfs/dbraw/zinc/56/32/12/554563212.db2.gz	UPDBTCIHOCRTQM-PPAWOMOGSA-N	-1	2	462.325	3.424	50	30		JGEALM
COC(=O)C[C@H](c1ccccc1)C1=C([O-])C(=O)C([C@@H](CC(=O)OC)c2ccccc2)C(=O)C1=O	ZINC000217979171	569882272	/nfs/dbraw/zinc/88/22/72/569882272.db2.gz	ZXGOQPARXVLTOY-HDICACEKSA-N	-1	2	464.470	3.456	50	30		JGEALM
COC(=O)C[C@@H](c1ccccc1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccccc2)C(=O)C1=O	ZINC000217979171	569882273	/nfs/dbraw/zinc/88/22/73/569882273.db2.gz	ZXGOQPARXVLTOY-HDICACEKSA-N	-1	2	464.470	3.456	50	30		JGEALM
COc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)c(C(=O)[O-])c1OC	ZINC000002217980	554099217	/nfs/dbraw/zinc/09/92/17/554099217.db2.gz	QNILVJUGBLQBJK-MQEPLNOPSA-N	-1	2	490.925	3.006	50	30		JGEALM
COc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)S2)c(C(=O)[O-])c1OC	ZINC000002217980	554099224	/nfs/dbraw/zinc/09/92/24/554099224.db2.gz	QNILVJUGBLQBJK-MQEPLNOPSA-N	-1	2	490.925	3.006	50	30		JGEALM
O=C([O-])c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc21	ZINC000100035725	569751730	/nfs/dbraw/zinc/75/17/30/569751730.db2.gz	TWOKNYRPKCLMAR-UHFFFAOYSA-N	-1	2	473.393	3.189	50	30		JGEALM
C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCC	ZINC000002988818	518317584	/nfs/dbraw/zinc/31/75/84/518317584.db2.gz	XCTASCWOQNQLRO-MHWRWJLKSA-N	-1	2	468.849	3.115	50	30		JGEALM
CC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccc([N+](=O)[O-])cc1	ZINC000012378777	518460230	/nfs/dbraw/zinc/46/02/30/518460230.db2.gz	UBUIFKBNUFVTFY-IMQYADFFSA-N	-1	2	455.452	3.474	50	30		JGEALM
CC(=NN=C1NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccc([N+](=O)[O-])cc1	ZINC000012378777	518460235	/nfs/dbraw/zinc/46/02/35/518460235.db2.gz	UBUIFKBNUFVTFY-IMQYADFFSA-N	-1	2	455.452	3.474	50	30		JGEALM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1	ZINC000006055686	518477469	/nfs/dbraw/zinc/47/74/69/518477469.db2.gz	LHTTYCZRVCCTDX-UHFFFAOYSA-N	-1	2	479.561	3.466	50	30		JGEALM
C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000002988845	519003600	/nfs/dbraw/zinc/00/36/00/519003600.db2.gz	FCJLCQJQBQEOFN-OQLLNIDSSA-N	-1	2	456.838	3.278	50	30		JGEALM
O=C([O-])c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc21	ZINC000060272336	569608613	/nfs/dbraw/zinc/60/86/13/569608613.db2.gz	LXFOCXWFKJWFEP-UHFFFAOYSA-N	-1	2	473.393	3.189	50	30		JGEALM
C[N@H+]1C[C@H](OS(=O)(=O)c2ccc(F)cc2Cl)C[C@H]1CNS(=O)(=O)c1ccc(F)cc1Cl	ZINC000240555658	570053063	/nfs/dbraw/zinc/05/30/63/570053063.db2.gz	GWZIKXCXJUFRQW-UONOGXRCSA-N	-1	2	515.387	3.028	50	30		JGEALM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000002947474	194176324	/nfs/dbraw/zinc/17/63/24/194176324.db2.gz	HGHKYSHJCSOORX-LICLKQGHSA-N	-1	2	470.865	3.207	50	30		JGEALM
CC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccc([N+](=O)[O-])cc1	ZINC000012342974	518459437	/nfs/dbraw/zinc/45/94/37/518459437.db2.gz	UBUIFKBNUFVTFY-BRUSPLQXSA-N	-1	2	455.452	3.474	50	30		JGEALM
CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccc([N+](=O)[O-])cc1	ZINC000012342974	518459447	/nfs/dbraw/zinc/45/94/47/518459447.db2.gz	UBUIFKBNUFVTFY-BRUSPLQXSA-N	-1	2	455.452	3.474	50	30		JGEALM