smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](NCc1cc(F)ccc1Br)c1ccccc1O ZINC000038038939 213195850 /nfs/dbraw/zinc/19/58/50/213195850.db2.gz SBFHJEQSKMOJKJ-HNNXBMFYSA-N 0 3 338.220 4.535 20 10 EJCDHN CC[C@@H](NCc1cc(F)ccc1Br)c1ccccc1O ZINC000038038940 202092967 /nfs/dbraw/zinc/09/29/67/202092967.db2.gz SBFHJEQSKMOJKJ-OAHLLOKOSA-N 0 3 338.220 4.535 20 10 EJCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC=C(c4ccccc4)CC3)c2c1 ZINC000003335418 210010218 /nfs/dbraw/zinc/01/02/18/210010218.db2.gz UGYXHOTZDBRRKS-UHFFFAOYSA-N 0 3 345.442 4.843 20 10 EJCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC=C(c4ccccc4)CC3)c2c1 ZINC000003335418 210010222 /nfs/dbraw/zinc/01/02/22/210010222.db2.gz UGYXHOTZDBRRKS-UHFFFAOYSA-N 0 3 345.442 4.843 20 10 EJCDHN