smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCNCC3)cc1CNCC2=O)NCc1ccc(Cl)cc1 ZINC000072320710 553647827 /nfs/dbraw/zinc/64/78/27/553647827.db2.gz HRUUYTUOYIIEIA-ZEQRLZLVSA-N 0 3 554.135 3.183 10 10 KGCEHN CN(C)CCN(C)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)N(C)Cc3ccccc3)[C@H](C1)CCCO2 ZINC000072320723 553647887 /nfs/dbraw/zinc/64/78/87/553647887.db2.gz JQCMSXZXLXTRMH-SVBPBHIXSA-N 0 3 549.760 3.460 10 10 KGCEHN