smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC1(CCC)CCC2(CC[N@@H+](CCC[NH+](CC)CC)C2)CC1 ZINC000001540226 563391746 /nfs/dbraw/zinc/39/17/46/563391746.db2.gz SERHTTSLBVGRBY-UHFFFAOYSA-N 2 1 336.608 5.571 10 0 investigational EKAEMP Cc1cccc(-c2cc(NCC[C@H]3CCC[N@@H+]3C)c3ccccc3[nH+]2)c1 ZINC000028244513 201388096 /nfs/dbraw/zinc/38/80/96/201388096.db2.gz RJVJYYAGWOCPAG-LJQANCHMSA-N 2 1 345.490 5.106 10 0 EKAEMP Cc1cccc(-c2cc(NCC[C@@H]3CCC[N@@H+]3C)c3ccccc3[nH+]2)c1 ZINC000028244520 201388459 /nfs/dbraw/zinc/38/84/59/201388459.db2.gz RJVJYYAGWOCPAG-IBGZPJMESA-N 2 1 345.490 5.106 10 0 EKAEMP