smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC(O[C@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC001164623249 719130317 /nfs/dbraw/zinc/13/03/17/719130317.db2.gz RROXQLVYTPWBCZ-HXUWFJFHSA-N -1 3 497.398 5.787 20 0 JKADHM Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CC1 ZINC001164990036 722189294 /nfs/dbraw/zinc/18/92/94/722189294.db2.gz IZDVJSHNZFAVDD-UHFFFAOYSA-N -1 3 490.963 5.064 20 0 JKADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC001164623231 719130746 /nfs/dbraw/zinc/13/07/46/719130746.db2.gz RROXQLVYTPWBCZ-FQEVSTJZSA-N -1 3 497.398 5.787 20 0 JKADHM