smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/[NH+]=C1/CCc2c1n(C)c1ccccc21 27707790 166072782 /nfs/dbraw/zinc/07/27/82/166072782.db2.gz LHQZGSHKSWKMBX-KAMYIIQDSA-N 1 1 198.269 2.543 1 30 AFEFMO C=CC[N@H+](C)[C@H](C)Cc1ccccc1 12504460 166172101 /nfs/dbraw/zinc/17/21/01/166172101.db2.gz BVYBGDRWIWQPOV-GFCCVEGCSA-N 1 1 189.302 2.735 1 30 in-vivo AFEFMO COC[C@@H](/[NH+]=C/C(C)(C)C)C(C)C 17253470 168178793 /nfs/dbraw/zinc/17/87/93/168178793.db2.gz FTSFWTGYRKIVBK-ZDIKFAODSA-N 1 1 185.311 2.774 1 30 AFEFMO