smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]12CCC(CC1)[C@@H](c1ccc(N3CCOCC3)[nH+]c1)C2 ZINC000045299123 717129948 /nfs/dbraw/zinc/12/99/48/717129948.db2.gz ITBZZOUQIBTSHT-FXUPRZHBSA-N 2 2 288.415 1.872 1 5 CDBFLP C[N+]12CCC(CC1)[C@H](c1ccc(N3CCOCC3)[nH+]c1)C2 ZINC000045299120 717129808 /nfs/dbraw/zinc/12/98/08/717129808.db2.gz ITBZZOUQIBTSHT-CZDRUDQFSA-N 2 2 288.415 1.872 1 5 CDBFLP