smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000101061014 222260278 /nfs/dbraw/zinc/26/02/78/222260278.db2.gz YLOMMHJWKYDOFW-KOUNCHBCSA-N 2 2 368.471 4.825 1 30 FJEFLP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000101061014 222260281 /nfs/dbraw/zinc/26/02/81/222260281.db2.gz YLOMMHJWKYDOFW-KOUNCHBCSA-N 2 2 368.471 4.825 1 30 FJEFLP