smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1cc(Sc2nnn[n-]2)c([O-])c2ccccc12)c1ccccc1	ZINC000084758020	208097933	/nfs/dbraw/zinc/09/79/33/208097933.db2.gz	CUTIUJWDOSPSRG-UHFFFAOYSA-N	-3	3	399.457	3.011	1	10		GGCFHL
C/C=C(/CC)Cc1cc2c(c(O)c1C(=O)[O-])C(=O)c1c([O-])cc([O-])cc1C2=O	ZINC000005761759	209188996	/nfs/dbraw/zinc/18/89/96/209188996.db2.gz	SYTAMFWHVQWAKV-OQFOIZHKSA-N	-3	3	382.368	3.176	1	10		GGCFHL
CCc1cc([O-])c2c([O-])c3c(cc2c1C(=O)OC)C(=O)c1cccc([O-])c1C3=O	ZINC000013369107	212116449	/nfs/dbraw/zinc/11/64/49/212116449.db2.gz	SNPUAXHAZYUTDJ-UHFFFAOYSA-N	-3	3	392.363	3.081	1	10		GGCFHL
O=C([O-])c1cc2cc([O-])c(O)cc2c([C@H](O)c2ccc(C(F)(F)F)cc2)n1	ZINC000013490163	221270368	/nfs/dbraw/zinc/27/03/68/221270368.db2.gz	LVSILPXOGLUNCT-MRXNPFEDSA-N	-2	3	379.290	3.445	1	10		GGCFHL
O=C([O-])c1cc2cc(O)c([O-])cc2c([C@H](O)c2ccc(C(F)(F)F)cc2)n1	ZINC000013490163	221270371	/nfs/dbraw/zinc/27/03/71/221270371.db2.gz	LVSILPXOGLUNCT-MRXNPFEDSA-N	-2	3	379.290	3.445	1	10		GGCFHL
COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@@H](c1cc(Cl)ccc1[O-])N(C)C2=O	ZINC000004563690	204053677	/nfs/dbraw/zinc/05/36/77/204053677.db2.gz	LMJLPWMWAXDCHO-IAGOWNOFSA-N	-2	3	391.807	3.058	1	10		GGCFHL
CN(C)Cc1cc(C(=O)c2ccc(OCC(=O)[O-])c(Cl)c2Cl)ccc1[O-]	ZINC000029342803	207360913	/nfs/dbraw/zinc/36/09/13/207360913.db2.gz	YNVJVHHYTUTYNU-UHFFFAOYSA-N	-2	3	398.242	3.455	1	10		GGCFHL
CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000028951418	1400215683	/nfs/dbraw/zinc/21/56/83/1400215683.db2.gz	KIGNBTZKQBUDRY-UHFFFAOYSA-N	-2	3	389.260	3.483	1	10		GGCFHL