smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3ccccc3)cc[nH+]1)CC2 ZINC001164792918 721492795 /nfs/dbraw/zinc/49/27/95/721492795.db2.gz VLSMQRRJKGNKTK-UHFFFAOYSA-N 2 2 398.554 5.025 20 0 GKADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3ccccc3)cc[nH+]1)CC2 ZINC001164792918 721492798 /nfs/dbraw/zinc/49/27/98/721492798.db2.gz VLSMQRRJKGNKTK-UHFFFAOYSA-N 2 2 398.554 5.025 20 0 GKADLP