smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc2c1C(=O)c1c(OC)cc(C[N+]34CN5CN(CN(C5)C3)C4)cc1C2=O ZINC000095591186 717139345 /nfs/dbraw/zinc/13/93/45/717139345.db2.gz LOQIEIMDRVZZST-UHFFFAOYSA-N 1 0 421.477 1.488 1 10 HDCFRO COc1cc(CC[C@@H](O)CC(=O)CCc2ccc(O)c(OC[NH3+])c2)cc(O)c1O ZINC000085625553 291195904 /nfs/dbraw/zinc/19/59/04/291195904.db2.gz UZNKGJJKXAZCCY-MRXNPFEDSA-N 1 0 405.447 1.993 1 10 biogenic,in-vitro HDCFRO