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([O-])c1cc(O)c([O-])c(Br)c1	ZINC000000400170	342686465	/nfs/dbraw/zinc/68/64/65/342686465.db2.gz	XCTQCHNCFZFEGN-UHFFFAOYSA-N	-2	3	233.017	1.559	50	10		BDCAHL
O=C1c2cccc([O-])c2C(=O)c2cccc([O-])c21	ZINC000003875803	387553162	/nfs/dbraw/zinc/55/31/62/387553162.db2.gz	JPICKYUTICNNNJ-UHFFFAOYSA-N	-2	3	240.214	1.873	50	10	biogenic,in-vitro	BDCAHL
O=C1c2cccc([O-])c2C(=O)c2c([O-])cccc21	ZINC000003860369	384030113	/nfs/dbraw/zinc/03/01/13/384030113.db2.gz	QBPFLULOKWLNNW-UHFFFAOYSA-N	-2	3	240.214	1.873	50	10	endogenous,world	BDCAHL
O=C1C=CC(=NN=c2nc[nH][n-]2)C([O-])=C1	ZINC000254510521	388810780	/nfs/dbraw/zinc/81/07/80/388810780.db2.gz	CJVFCRNUSLAWGY-UHFFFAOYSA-N	-2	3	205.177	1.631	50	10		BDCAHL
O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1[O-]	ZINC000000507420	342689128	/nfs/dbraw/zinc/68/91/28/342689128.db2.gz	ZRDYULMDEGRWRC-UHFFFAOYSA-N	-2	3	246.218	1.740	50	10		BDCAHL
O=c1[nH][n-]cc1C=Nc1cc(Cl)ccc1[O-]	ZINC000095921843	384408124	/nfs/dbraw/zinc/40/81/24/384408124.db2.gz	DGKIXVAVKINBRD-GQCTYLIASA-N	-2	3	237.646	1.457	50	10		BDCAHL
O=c1[nH][n-]cc1C=Nc1cc(Cl)ccc1[O-]	ZINC000095921842	384407479	/nfs/dbraw/zinc/40/74/79/384407479.db2.gz	DGKIXVAVKINBRD-XQRVVYSFSA-N	-2	3	237.646	1.457	50	10		BDCAHL
O=C([O-])[C@@H]1CS[C@@H](c2ccccc2[O-])N1	ZINC000000087075	342673684	/nfs/dbraw/zinc/67/36/84/342673684.db2.gz	APAUAYLVDHNFBF-CBAPKCEASA-N	-2	3	225.269	1.180	50	10		BDCAHL
O=c1cc(NCc2ccccc2[O-])[nH]c(=S)[n-]1	ZINC000075260134	356926531	/nfs/dbraw/zinc/92/65/31/356926531.db2.gz	SMUFTHMCOVWKIH-UHFFFAOYSA-N	-2	3	249.295	1.750	50	10		BDCAHL
Cc1cc(=O)oc2c(O)c([O-])c(C(=O)[O-])cc12	ZINC000068675288	384007682	/nfs/dbraw/zinc/00/76/82/384007682.db2.gz	XIMHCTQNXMBBJB-UHFFFAOYSA-N	-2	3	236.179	1.211	50	10		BDCAHL
O=C([O-])[C@H]1CS[C@H](c2ccccc2[O-])N1	ZINC000000087071	342673616	/nfs/dbraw/zinc/67/36/16/342673616.db2.gz	APAUAYLVDHNFBF-VXNVDRBHSA-N	-2	3	225.269	1.180	50	10		BDCAHL
O=C([O-])[C@@H]1CS[C@H](c2ccccc2[O-])N1	ZINC000000087080	182519180	/nfs/dbraw/zinc/51/91/80/182519180.db2.gz	APAUAYLVDHNFBF-IONNQARKSA-N	-2	3	225.269	1.180	50	10		BDCAHL
O=C([O-])[C@H]1CS[C@@H](c2ccccc2[O-])N1	ZINC000000087068	342673849	/nfs/dbraw/zinc/67/38/49/342673849.db2.gz	APAUAYLVDHNFBF-APPZFPTMSA-N	-2	3	225.269	1.180	50	10		BDCAHL