smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(CC23CN4CC(C[NH+](C2)CC4)/C3=N/N=C2/C3CN4CC2(Cc2ccccc2)C[N@H+](C3)CC4)cc1 ZINC000095483283 553702219 /nfs/dbraw/zinc/70/22/19/553702219.db2.gz XCAOLZVVOKXBBD-HKQZHLORSA-N 2 1 508.714 2.764 50 30 KFEAMP COc1ccc(N2CCN(C(=O)ON3C(=O)[C@H]4C[N@@H+](CC5CC[NH+](Cc6ccccc6)CC5)CCN4C3=O)CC2)cc1 ZINC000585091608 1059436272 /nfs/dbraw/zinc/43/62/72/1059436272.db2.gz YHRQLTHMALGXOG-MUUNZHRXSA-N 2 1 576.698 2.729 50 30 KFEAMP COc1ccc(N2CCN(C(=O)ON3C(=O)[C@@H]4C[N@@H+](CC5CC[NH+](Cc6ccccc6)CC5)CCN4C3=O)CC2)cc1 ZINC000585091609 1059436436 /nfs/dbraw/zinc/43/64/36/1059436436.db2.gz YHRQLTHMALGXOG-NDEPHWFRSA-N 2 1 576.698 2.729 50 30 KFEAMP