smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)NC(=O)c1cn(CC[NH+]2CCN(C(=O)CCCCCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)CC2)c(=O)[nH]c1=O ZINC000160446536 562849046 /nfs/dbraw/zinc/84/90/46/562849046.db2.gz SRFMWVMOIXLPID-PAGZJXIJSA-N 1 2 772.861 -0.059 1 70 KBIFLO CCOC(=O)NC(=O)c1cn(CC[NH+]2CCN(C(=O)CCCCCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)CC2)c(=O)[nH]c1=O ZINC000160446669 562849023 /nfs/dbraw/zinc/84/90/23/562849023.db2.gz SRFMWVMOIXLPID-WEQXORMXSA-N 1 2 772.861 -0.059 1 70 KBIFLO