smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C[N@@H+](C)Cc2cccc(C[NH3+])c2)cc1 ZINC000071340489 176130396 /nfs/dbraw/zinc/13/03/96/176130396.db2.gz SROQHKPHKOJHCX-UHFFFAOYSA-N 2 1 283.419 2.843 1 10 CFCFMP CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C[NH3+])cc2)cc1 ZINC000071341944 176130401 /nfs/dbraw/zinc/13/04/01/176130401.db2.gz ZMZSNJCTHQNJDQ-UHFFFAOYSA-N 2 1 283.419 2.843 1 10 CFCFMP CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2C[NH3+])cc1 ZINC000071418563 176160484 /nfs/dbraw/zinc/16/04/84/176160484.db2.gz AFAPEAVLDOOZAL-UHFFFAOYSA-N 2 1 283.419 2.843 1 10 CFCFMP