smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cccc(CN2CC[N@@H+]3C[C@H](OCC[NH+]4CCCC4)C[C@H]3C2)c1 ZINC000096183325 209131749 /nfs/dbraw/zinc/13/17/49/209131749.db2.gz UHYRGYAVSVFMGK-LEWJYISDSA-N 2 0 354.498 1.929 40 30 FDEBRP COc1cc2cccnc2c(NCCCNC(=[NH2+])NC(=[NH2+])NC(C)C)c1 ZINC000001685365 210365142 /nfs/dbraw/zinc/36/51/42/210365142.db2.gz UMSLJNOLXQPSEV-UHFFFAOYSA-N 2 0 357.462 1.673 40 30 FDEBRP CCOC(=O)c1cc[n+](CC#CC[n+]2ccc(C(=O)OCC)cc2)cc1 ZINC000006402150 518371840 /nfs/dbraw/zinc/37/18/40/518371840.db2.gz GPWFFWFZKAFKBT-UHFFFAOYSA-N 2 0 354.406 1.319 40 30 FDEBRP