smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC[NH+](C)CC1 ZINC000161232505 539526279 /nfs/dbraw/zinc/52/62/79/539526279.db2.gz NIDIXPNCIQBYIY-QGZVFWFLSA-N 2 3 345.531 2.463 20 70 EEIDHP C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC[NH+](C)CC1 ZINC000161232383 539525747 /nfs/dbraw/zinc/52/57/47/539525747.db2.gz NIDIXPNCIQBYIY-KRWDZBQOSA-N 2 3 345.531 2.463 20 70 EEIDHP