smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[NH+]=C1CC(C)(C)c2cc(Cl)ccc2N1 ZINC000096908684 185391053 /nfs/dbraw/zinc/39/10/53/185391053.db2.gz HIVFAGONXYMEDS-UHFFFAOYSA-N 2 0 321.896 4.564 1 30 DJEFRP C=CCCCCCCCC[n+]1cccc([C@@H]2CCC[N@H+]2C)c1 ZINC000043068052 183333962 /nfs/dbraw/zinc/33/39/62/183333962.db2.gz BGANPLIPWUHOGW-FQEVSTJZSA-N 2 0 301.498 4.658 1 30 DJEFRP