smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)cc1 ZINC000785529186 1073699674 /nfs/dbraw/zinc/69/96/74/1073699674.db2.gz LYEUCEWEJFPKIU-FQEVSTJZSA-N 2 1 446.596 -0.315 20 10 IBCDMP COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)cc1 ZINC000785529187 1073699516 /nfs/dbraw/zinc/69/95/16/1073699516.db2.gz LYEUCEWEJFPKIU-HXUWFJFHSA-N 2 1 446.596 -0.315 20 10 IBCDMP