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@H+]1CCC[C@H](C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000216915675 570309594 /nfs/dbraw/zinc/30/95/94/570309594.db2.gz MGGLJGPAUQRUFH-SFHVURJKSA-N 1 1 393.531 4.517 40 70 GJIBMO C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000216915650 570309477 /nfs/dbraw/zinc/30/94/77/570309477.db2.gz MGGLJGPAUQRUFH-GOSISDBHSA-N 1 1 393.531 4.517 40 70 GJIBMO