smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(/C=N/c2ccc(C(=O)[O-])cc2C)c1O[C@H](C)C(=O)[O-]	ZINC000409233604	263544480	/nfs/dbraw/zinc/54/44/80/263544480.db2.gz	GTJQNCNDUITHKU-HMASQMOLSA-N	-2	0	357.362	3.304	40	30		FGEBRL
OC(PC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000103660160	222341184	/nfs/dbraw/zinc/34/11/84/222341184.db2.gz	MSHVGWVGGYOOMV-UHFFFAOYSA-N	-2	0	366.038	3.291	40	30		FGEBRL
COc1cccc(/C=N/c2cccc(C(=O)[O-])c2C)c1O[C@@H](C)C(=O)[O-]	ZINC000409241526	263545623	/nfs/dbraw/zinc/54/56/23/263545623.db2.gz	YBTGNGMTMOUUML-QDBSGRMGSA-N	-2	0	357.362	3.304	40	30		FGEBRL
O=C([O-])c1cccc(-n2cccc2/C=N\c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000409103866	499595736	/nfs/dbraw/zinc/59/57/36/499595736.db2.gz	XGJRYFAQQGADAG-JAIQZWGSSA-N	-2	0	350.330	3.330	40	30		FGEBRL
O=C([O-])c1ccc(-n2cccc2/C=N\c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000409237917	570743090	/nfs/dbraw/zinc/74/30/90/570743090.db2.gz	KIEZYEKYOVEMDR-JAIQZWGSSA-N	-2	0	350.330	3.330	40	30		FGEBRL
COc1cccc(/C=N/c2ccc(C(=O)[O-])cc2C)c1O[C@@H](C)C(=O)[O-]	ZINC000409233607	570744434	/nfs/dbraw/zinc/74/44/34/570744434.db2.gz	GTJQNCNDUITHKU-QDBSGRMGSA-N	-2	0	357.362	3.304	40	30		FGEBRL
COc1cccc(/C=N/c2cccc(C(=O)[O-])c2C)c1O[C@H](C)C(=O)[O-]	ZINC000409241523	263545159	/nfs/dbraw/zinc/54/51/59/263545159.db2.gz	YBTGNGMTMOUUML-HMASQMOLSA-N	-2	0	357.362	3.304	40	30		FGEBRL
OC(CCC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000104219285	209260200	/nfs/dbraw/zinc/26/02/00/209260200.db2.gz	WXKKSHCCJRPPMA-UHFFFAOYSA-N	-2	0	362.110	3.478	40	30		FGEBRL
N=C1SC(=Cc2ccc(OCCC(=O)[O-])cc2)C([O-])=C1c1nccs1	ZINC000034719146	494067851	/nfs/dbraw/zinc/06/78/51/494067851.db2.gz	GNCBMCLUFKJEOK-OCLZBJRFSA-N	-2	0	374.443	3.414	40	30		FGEBRL
COc1cccc(/C=N\c2cc(C(=O)[O-])ccc2C)c1O[C@H](C)C(=O)[O-]	ZINC000409231426	570743921	/nfs/dbraw/zinc/74/39/21/570743921.db2.gz	KETULKYQLUVKAJ-SVKBEJCWSA-N	-2	0	357.362	3.304	40	30		FGEBRL
O=C([O-])COc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])cc1Cl	ZINC000059248331	493902160	/nfs/dbraw/zinc/90/21/60/493902160.db2.gz	PAOKSCJDRYJULA-REZTVBANSA-N	-2	0	350.714	3.168	40	30		FGEBRL
Cc1ccc(N2C(=O)C(=CNc3ccccc3[S-])C(=O)[N-]C2=S)cc1	ZINC000408756162	499594842	/nfs/dbraw/zinc/59/48/42/499594842.db2.gz	UJHJWYRVRXDJAR-GJUHEBOISA-N	-2	0	369.471	3.050	40	30		FGEBRL
N=C1SC(=Cc2cccc(OCC(=O)[O-])c2)C([O-])=C1c1nccs1	ZINC000033720746	494063380	/nfs/dbraw/zinc/06/33/80/494063380.db2.gz	KZAKAVHLOICVDB-SPEUWIMTSA-N	-2	0	360.416	3.024	40	30		FGEBRL
C=CCc1cc(/C=N/c2cccc(C(=O)[O-])c2)cc(OC)c1OCC(=O)[O-]	ZINC000059679265	493907753	/nfs/dbraw/zinc/90/77/53/493907753.db2.gz	QNZLZOIWMDCXLO-SRZZPIQSSA-N	-2	0	369.373	3.336	40	30		FGEBRL
COc1cc(/C=N/c2cccc(C(=O)[O-])c2C)ccc1O[C@H](C)C(=O)[O-]	ZINC000409018446	499595820	/nfs/dbraw/zinc/59/58/20/499595820.db2.gz	HKWGDUFZYOANBW-HMASQMOLSA-N	-2	0	357.362	3.304	40	30		FGEBRL
COc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409012966	499595850	/nfs/dbraw/zinc/59/58/50/499595850.db2.gz	LRKOHKCAUGAPKD-QDBSGRMGSA-N	-2	0	357.362	3.304	40	30		FGEBRL
CCCCCCCc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=O	ZINC000072102427	494128129	/nfs/dbraw/zinc/12/81/29/494128129.db2.gz	DCRGCQORNJUMDP-OAHLLOKOSA-N	-2	0	367.427	3.131	40	30		FGEBRL
COc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)ccc1O[C@H](C)C(=O)[O-]	ZINC000409012955	499595792	/nfs/dbraw/zinc/59/57/92/499595792.db2.gz	LRKOHKCAUGAPKD-HMASQMOLSA-N	-2	0	357.362	3.304	40	30		FGEBRL
C=CCc1cc(/C=N/c2ccc(C(=O)[O-])cc2)cc(OC)c1OCC(=O)[O-]	ZINC000059303257	493903732	/nfs/dbraw/zinc/90/37/32/493903732.db2.gz	YEHHWNQCZXFQOF-SRZZPIQSSA-N	-2	0	369.373	3.336	40	30		FGEBRL
C=CCc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(OCC)c1OC	ZINC000409329597	570750261	/nfs/dbraw/zinc/75/02/61/570750261.db2.gz	GOOAIMIQKADFAA-FPLPWBNLSA-N	-2	0	373.365	3.102	40	30		FGEBRL
Cc1cc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])nc(-c2ccccc2[O-])n1	ZINC000036136918	494088031	/nfs/dbraw/zinc/08/80/31/494088031.db2.gz	ZTMXLMHZYWLWOM-VXLYETTFSA-N	-2	0	365.349	3.217	40	30		FGEBRL
O=C([O-])COc1ccccc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000001831478	210371887	/nfs/dbraw/zinc/37/18/87/210371887.db2.gz	ZPAMCJBQBJYJMO-ZDLGFXPLSA-N	-2	0	360.439	3.334	40	30		FGEBRL
N=C1SC(=Cc2ccc(OCC(=O)[O-])cc2)C([O-])=C1c1nccs1	ZINC000033421847	494059929	/nfs/dbraw/zinc/05/99/29/494059929.db2.gz	YZLMXHKFAUEUIH-SPEUWIMTSA-N	-2	0	360.416	3.024	40	30		FGEBRL
COc1cccc(/C=N\c2cc(C(=O)[O-])ccc2C)c1O[C@@H](C)C(=O)[O-]	ZINC000409231427	570743988	/nfs/dbraw/zinc/74/39/88/570743988.db2.gz	KETULKYQLUVKAJ-XGTDKWECSA-N	-2	0	357.362	3.304	40	30		FGEBRL
CCc1nnc(C2=C([O-])C(=Cc3ccc(C(=O)[O-])cc3)SC2=N)s1	ZINC000005988026	493948395	/nfs/dbraw/zinc/94/83/95/493948395.db2.gz	JXTGYPSRJGUBAX-IKKFDYCRSA-N	-2	0	359.432	3.217	40	30		FGEBRL
Cc1ccc(N2C(=O)C(=CNc3ccccc3[S-])C(=O)[N-]C2=S)cc1	ZINC000408756163	499594883	/nfs/dbraw/zinc/59/48/83/499594883.db2.gz	UJHJWYRVRXDJAR-XTBHVRTMSA-N	-2	0	369.471	3.050	40	30		FGEBRL
O=C([O-])C(=O)C(N=Nc1ccc(Cl)cc1)=C([O-])c1ccc(Cl)cc1	ZINC000002893300	493824324	/nfs/dbraw/zinc/82/43/24/493824324.db2.gz	PPQUZLYRVSWLKL-MOSHPQCFSA-N	-2	0	365.172	3.298	40	30		FGEBRL
CCCCCCCc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=O	ZINC000101854268	519971442	/nfs/dbraw/zinc/97/14/42/519971442.db2.gz	DCRGCQORNJUMDP-HNNXBMFYSA-N	-2	0	367.427	3.131	40	30		FGEBRL
COc1cc(/C=N/c2cccc(C(=O)[O-])c2C)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409018449	499595863	/nfs/dbraw/zinc/59/58/63/499595863.db2.gz	HKWGDUFZYOANBW-QDBSGRMGSA-N	-2	0	357.362	3.304	40	30		FGEBRL