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+](CCN)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 ZINC000103245785 222327432 /nfs/dbraw/zinc/32/74/32/222327432.db2.gz VUDSQMZJZDGKQN-OAQYLSRUSA-N 2 1 353.441 3.142 1 30 FGEFMP C[N@H+](CC[NH3+])CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 ZINC000103245785 222327435 /nfs/dbraw/zinc/32/74/35/222327435.db2.gz VUDSQMZJZDGKQN-OAQYLSRUSA-N 2 1 353.441 3.142 1 30 FGEFMP C[N@@H+](CC[NH3+])CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 ZINC000103245785 222327436 /nfs/dbraw/zinc/32/74/36/222327436.db2.gz VUDSQMZJZDGKQN-OAQYLSRUSA-N 2 1 353.441 3.142 1 30 FGEFMP