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-])Cc1ccc(O)c(O)c1C(=O)[O-]	ZINC000004543153	384988941	/nfs/dbraw/zinc/98/89/41/384988941.db2.gz	WMORGQXQJRDSQT-UHFFFAOYSA-N	-2	0	212.157	0.423	50	10		BCCARL
O=C([O-])[C@H]1CS[C@@H](c2cccc(O)c2O)N1	ZINC000000053456	344101234	/nfs/dbraw/zinc/10/12/34/344101234.db2.gz	WNYPXOJDKRDVNY-MUWHJKNJSA-N	-2	0	241.268	0.886	50	10		BCCARL
Nc1cccc(-n2[n-]c(C(=O)[O-])cc2=O)c1	ZINC000004016143	342740819	/nfs/dbraw/zinc/74/08/19/342740819.db2.gz	SWHUGXBRBHHKFB-UHFFFAOYSA-N	-2	0	219.200	0.446	50	10		BCCARL
O=C([O-])c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000012351253	384314151	/nfs/dbraw/zinc/31/41/51/384314151.db2.gz	IMZSHPUSPMOODC-UHFFFAOYSA-N	-2	0	204.185	0.864	50	10		BCCARL
O=C([O-])[C@@H]1CS[C@H](c2cccc(O)c2O)N1	ZINC000000053459	344101512	/nfs/dbraw/zinc/10/15/12/344101512.db2.gz	WNYPXOJDKRDVNY-IMTBSYHQSA-N	-2	0	241.268	0.886	50	10		BCCARL
COc1ccc(N(C)CC(=O)[O-])c(C(=O)[O-])c1	ZINC000000081208	175136397	/nfs/dbraw/zinc/13/63/97/175136397.db2.gz	HGOHYHCCVKWGIB-UHFFFAOYSA-N	-2	0	239.227	0.914	50	10		BCCARL
O=C([O-])c1[n-]n(-c2ccccc2)c(=O)c1CCO	ZINC000100124682	384619079	/nfs/dbraw/zinc/61/90/79/384619079.db2.gz	RECYHGJQIKPRDX-VIFPVBQESA-N	-2	0	248.238	0.472	50	10		BCCARL
O=C([O-])[C@@H]1CS[C@@H](c2cccc(O)c2O)N1	ZINC000000053458	344101537	/nfs/dbraw/zinc/10/15/37/344101537.db2.gz	WNYPXOJDKRDVNY-RCOVLWMOSA-N	-2	0	241.268	0.886	50	10		BCCARL
COc1ccc(N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000007275486	175137627	/nfs/dbraw/zinc/13/76/27/175137627.db2.gz	FTEFUVAUCUCFIK-UHFFFAOYSA-N	-2	0	239.227	0.671	50	10		BCCARL
Cc1[n-]n2c(nc(C)cc2=O)c1C(=O)[O-]	ZINC000100128403	178201355	/nfs/dbraw/zinc/20/13/55/178201355.db2.gz	NCULRWWOIPPLHT-UHFFFAOYSA-N	-2	0	207.189	0.750	50	10		BCCARL
O=C([O-])[C@H]1CS[C@H](c2cccc(O)c2O)N1	ZINC000000053457	344101574	/nfs/dbraw/zinc/10/15/74/344101574.db2.gz	WNYPXOJDKRDVNY-HZGVNTEJSA-N	-2	0	241.268	0.886	50	10		BCCARL
O=C([O-])c1[n-]n(-c2ccccc2)c(=O)c1CCO	ZINC000100124678	384617944	/nfs/dbraw/zinc/61/79/44/384617944.db2.gz	RECYHGJQIKPRDX-SECBINFHSA-N	-2	0	248.238	0.472	50	10		BCCARL