smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1OC)CN(C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)[O-])[C@H](C(=O)[O-])C2 ZINC000003789196 194361605 /nfs/dbraw/zinc/36/16/05/194361605.db2.gz CMPAGYDKASJORH-YSSFQJQWSA-N -2 1 470.522 2.106 10 0 in-man JEAEML COc1cc2c(cc1OC)CN(C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)[O-])[C@@H](C(=O)[O-])C2 ZINC000001890159 194152768 /nfs/dbraw/zinc/15/27/68/194152768.db2.gz CMPAGYDKASJORH-RYGJVYDSSA-N -2 1 470.522 2.106 10 0 in-vitro JEAEML