smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@H+](C)C2 ZINC000020112938 182188512 /nfs/dbraw/zinc/18/85/12/182188512.db2.gz WUIPOABWRCWMQU-UHFFFAOYSA-N 2 1 319.472 4.664 40 5 DJBBMP CC(C)[N+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@H+](C)C2 ZINC000020112800 182188444 /nfs/dbraw/zinc/18/84/44/182188444.db2.gz YQHXJMWEQOYPRY-UHFFFAOYSA-N 2 1 319.472 4.663 40 5 DJBBMP