smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@H]21 ZINC001165030185 721831627 /nfs/dbraw/zinc/83/16/27/721831627.db2.gz YKWSVFQBTCXZHT-KFKAGJAMSA-N 0 1 404.511 2.872 20 70 HFIDMN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@@H]21 ZINC001165030184 721831886 /nfs/dbraw/zinc/83/18/86/721831886.db2.gz YKWSVFQBTCXZHT-AYOQOUSVSA-N 0 1 404.511 2.872 20 70 HFIDMN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@@H]21 ZINC001165030186 721831723 /nfs/dbraw/zinc/83/17/23/721831723.db2.gz YKWSVFQBTCXZHT-ZYSHUDEJSA-N 0 1 404.511 2.872 20 70 HFIDMN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@H]21 ZINC001165030183 721831857 /nfs/dbraw/zinc/83/18/57/721831857.db2.gz YKWSVFQBTCXZHT-ATZDWAIDSA-N 0 1 404.511 2.872 20 70 HFIDMN