smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@H](Nc2cccc[nH+]2)c2ccc3cccnc3c2O)cc1Br	ZINC000002742930	555807649	/nfs/dbraw/zinc/80/76/49/555807649.db2.gz	BOCKEIWBRVBKDM-FQEVSTJZSA-N	1	2	436.309	5.308	10	10		IKCELO
COc1ccc([C@@H](Nc2cccc[nH+]2)c2ccc3cccnc3c2O)cc1Br	ZINC000002742931	555807663	/nfs/dbraw/zinc/80/76/63/555807663.db2.gz	BOCKEIWBRVBKDM-HXUWFJFHSA-N	1	2	436.309	5.308	10	10		IKCELO
Cc1ccc2ccc([C@H](Nc3cccc[nH+]3)c3ccccc3OCc3ccccc3)c(O)c2n1	ZINC000015015619	556484741	/nfs/dbraw/zinc/48/47/41/556484741.db2.gz	XLPMMRWQEFTRGV-MUUNZHRXSA-N	1	2	447.538	6.424	10	10		IKCELO
Cc1ccc2ccc([C@@H](Nc3cccc[nH+]3)c3ccccc3OCc3ccccc3)c(O)c2n1	ZINC000015015618	556484897	/nfs/dbraw/zinc/48/48/97/556484897.db2.gz	XLPMMRWQEFTRGV-NDEPHWFRSA-N	1	2	447.538	6.424	10	10		IKCELO
Oc1ccc(Cl)cc1C[N@@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1	ZINC000055343873	556740355	/nfs/dbraw/zinc/74/03/55/556740355.db2.gz	DPOLELFOPSYSIV-UHFFFAOYSA-N	1	2	438.936	5.423	10	10		IKCELO
Oc1ccc(Cl)cc1C[N@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1	ZINC000055343873	556740358	/nfs/dbraw/zinc/74/03/58/556740358.db2.gz	DPOLELFOPSYSIV-UHFFFAOYSA-N	1	2	438.936	5.423	10	10		IKCELO