smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408939211	560656237	/nfs/dbraw/zinc/65/62/37/560656237.db2.gz	IEXYQBGKPKNSJY-RMORIDSASA-N	-2	0	412.829	4.600	40	30		HJEBRL
Cc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408949899	560656750	/nfs/dbraw/zinc/65/67/50/560656750.db2.gz	SPLZNORIBJZWRW-WYMPLXKRSA-N	-2	0	410.857	4.763	40	30		HJEBRL
Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059678626	568709937	/nfs/dbraw/zinc/70/99/37/568709937.db2.gz	BVTZHPYZFKJOPT-LSHDLFTRSA-N	-2	0	413.817	4.810	40	30		HJEBRL
CCCCCCCCc1ccc(CC[C@]2(COP(=O)([O-])[O-])COC(C)=N2)cc1	ZINC000072400064	569384181	/nfs/dbraw/zinc/38/41/81/569384181.db2.gz	GZBNXMXQBIIUTD-OAQYLSRUSA-N	-2	0	411.479	4.819	40	30	in-vitro	HJEBRL
CCOc1cccc(/N=C\c2cc(C)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C)c1	ZINC000408818741	560644968	/nfs/dbraw/zinc/64/49/68/560644968.db2.gz	ORNVPNYTGMLJSE-CFRMEGHHSA-N	-2	0	406.438	4.640	40	30		HJEBRL
Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408858215	560647457	/nfs/dbraw/zinc/64/74/57/560647457.db2.gz	XSEDCDRMRPTVED-RMORIDSASA-N	-2	0	412.829	4.600	40	30		HJEBRL
COc1cccc(/C=N/c2ccc(C(=O)[O-])cc2C)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187328	560688011	/nfs/dbraw/zinc/68/80/11/560688011.db2.gz	OZFUKROYVCTIRC-DHRITJCHSA-N	-2	0	419.433	4.730	40	30		HJEBRL
COc1cccc(/C=N\c2cc(C(=O)[O-])ccc2C)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409183378	560688678	/nfs/dbraw/zinc/68/86/78/560688678.db2.gz	BJCBEDMPIACHNZ-MXAYSNPKSA-N	-2	0	419.433	4.730	40	30		HJEBRL
CCOc1ccccc1/N=C\c1cc(C)n(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C	ZINC000408849795	560647006	/nfs/dbraw/zinc/64/70/06/560647006.db2.gz	ZCIYAYWPXFDCTD-CFRMEGHHSA-N	-2	0	406.438	4.640	40	30		HJEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1cn(Cc2ccc(C(=O)[O-])o2)c2ccccc12	ZINC000408542431	557360124	/nfs/dbraw/zinc/36/01/24/557360124.db2.gz	JLRFIGOXBCZGDM-BHGWPJFGSA-N	-2	0	402.406	4.738	40	30		HJEBRL
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)c1[O-]	ZINC000006600353	560631845	/nfs/dbraw/zinc/63/18/45/560631845.db2.gz	FAGBDQRQXNZOAZ-FSJBWODESA-N	-2	0	419.393	4.964	40	30		HJEBRL
COc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408967911	560659420	/nfs/dbraw/zinc/65/94/20/560659420.db2.gz	VQWNCDQGEMRYLZ-DHRITJCHSA-N	-2	0	419.433	4.730	40	30		HJEBRL
COc1cc(/C=N/c2cccc(C(=O)[O-])c2C)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408965527	560658943	/nfs/dbraw/zinc/65/89/43/560658943.db2.gz	IGWILVUBZFOVPI-DHRITJCHSA-N	-2	0	419.433	4.730	40	30		HJEBRL
CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc([O-])c(-c3nc4ccccc4o3)c2)c1[O-]	ZINC000016688219	558800004	/nfs/dbraw/zinc/80/00/04/558800004.db2.gz	FAGBDQRQXNZOAZ-FMCGGJTJSA-N	-2	0	419.393	4.964	40	30		HJEBRL
Cc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059248427	568703229	/nfs/dbraw/zinc/70/32/29/568703229.db2.gz	JRUUWCJOGBBHGM-WYMPLXKRSA-N	-2	0	410.857	4.763	40	30		HJEBRL
COc1cc(/C=N/c2cc(C(=O)[O-])ccc2C)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000009323841	557837094	/nfs/dbraw/zinc/83/70/94/557837094.db2.gz	ZYBOJWKRMIMANV-DHRITJCHSA-N	-2	0	419.433	4.730	40	30		HJEBRL
C/C(=C\CC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C/C=C(\C)C(=O)[O-])C(=O)[O-]	ZINC000100501767	559135813	/nfs/dbraw/zinc/13/58/13/559135813.db2.gz	BZMBGJQMTDGGER-BQYBEJQRSA-N	-2	0	412.273	4.760	40	30		HJEBRL
Cc1c(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cccc1C(=O)[O-]	ZINC000408541926	557359793	/nfs/dbraw/zinc/35/97/93/557359793.db2.gz	GNTHBTBDPDOJLM-BHGWPJFGSA-N	-2	0	402.406	4.738	40	30		HJEBRL
Cc1ccc(C(=O)[O-])cc1/N=C\c1cn(Cc2ccc(C(=O)[O-])o2)c2ccccc12	ZINC000408544147	557361017	/nfs/dbraw/zinc/36/10/17/557361017.db2.gz	VATNYHUCIHHQQU-MYKKPKGFSA-N	-2	0	402.406	4.738	40	30		HJEBRL
COc1cccc(/C=N/c2cccc(C(=O)[O-])c2C)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409185183	560688908	/nfs/dbraw/zinc/68/89/08/560688908.db2.gz	TVNRCTHMQZHJOL-DHRITJCHSA-N	-2	0	419.433	4.730	40	30		HJEBRL
Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408956840	560657786	/nfs/dbraw/zinc/65/77/86/560657786.db2.gz	ZTSCCPDOOMTNTK-LSHDLFTRSA-N	-2	0	413.817	4.810	40	30		HJEBRL
CSc1ccccc1/N=C/c1cc(C)n(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C	ZINC000059248361	568703157	/nfs/dbraw/zinc/70/31/57/568703157.db2.gz	XUGISIPWSVSBRR-FSJBWODESA-N	-2	0	408.479	4.963	40	30		HJEBRL
N#Cc1c(/N=C\c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)sc2c1CCCC2	ZINC000113853336	560805442	/nfs/dbraw/zinc/80/54/42/560805442.db2.gz	FOYHGEDPBPHEAG-MYKKPKGFSA-N	-2	0	420.446	4.906	40	30		HJEBRL
Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059301805	568704940	/nfs/dbraw/zinc/70/49/40/568704940.db2.gz	HMQWMFQHNJLJAM-LGJNPRDNSA-N	-2	0	413.433	4.789	40	30		HJEBRL
COc1cc(/C=N/c2cccc(C(=O)[O-])c2C)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059249189	568703206	/nfs/dbraw/zinc/70/32/06/568703206.db2.gz	MWVSVCCFNPRANL-DHRITJCHSA-N	-2	0	419.433	4.730	40	30		HJEBRL
COc1cc(/C=N\c2cc(C(=O)[O-])ccc2C)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000096483746	522010817	/nfs/dbraw/zinc/01/08/17/522010817.db2.gz	ZYBOJWKRMIMANV-MXAYSNPKSA-N	-2	0	419.433	4.730	40	30		HJEBRL
COc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059302035	568704850	/nfs/dbraw/zinc/70/48/50/568704850.db2.gz	HCPYDXQICNUGTR-DHRITJCHSA-N	-2	0	419.433	4.730	40	30		HJEBRL
Cc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408844176	560646331	/nfs/dbraw/zinc/64/63/31/560646331.db2.gz	BKADRAKEHRXDAF-RMORIDSASA-N	-2	0	412.829	4.600	40	30		HJEBRL
COc1cc(/C=N\c2cc(C(=O)[O-])ccc2C)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000015229916	569362195	/nfs/dbraw/zinc/36/21/95/569362195.db2.gz	WBEZUUPFCVIVGQ-MXAYSNPKSA-N	-2	0	419.433	4.730	40	30		HJEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000003042650	568848175	/nfs/dbraw/zinc/84/81/75/568848175.db2.gz	GZWPNSFDKYVCPI-CNHKJKLMSA-N	-2	0	413.065	4.674	40	30		HJEBRL
CCCCCCCCc1ccc(CC[C@@]2(COP(=O)([O-])[O-])COC(C)=N2)cc1	ZINC000072400065	569384287	/nfs/dbraw/zinc/38/42/87/569384287.db2.gz	GZBNXMXQBIIUTD-NRFANRHFSA-N	-2	0	411.479	4.819	40	30	in-vitro	HJEBRL