smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(OC2[C@H](n3cc[nH+]c3)CCC[C@H]2n2cc[nH+]c2)cc1 ZINC000040860923 205083539 /nfs/dbraw/zinc/08/35/39/205083539.db2.gz FLKJUSKODJAUSZ-IAGOWNOFSA-N 2 2 353.382 3.402 1 5 FGBFLP C[C@](C(=O)OC1CC[N+](C)(C)CC1)(c1cccs1)[NH+]1CCCCC1 ZINC000084544654 717135719 /nfs/dbraw/zinc/13/57/19/717135719.db2.gz JHSINHUWGNKNKA-LJQANCHMSA-N 2 2 351.536 3.231 1 5 FGBFLP C[C@@](C(=O)OC1CC[N+](C)(C)CC1)(c1cccs1)[NH+]1CCCCC1 ZINC000084544656 717136234 /nfs/dbraw/zinc/13/62/34/717136234.db2.gz JHSINHUWGNKNKA-IBGZPJMESA-N 2 2 351.536 3.231 1 5 FGBFLP