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=C1CCN(C)C2 ZINC000252462859 563915279 /nfs/dbraw/zinc/91/52/79/563915279.db2.gz WUIPOABWRCWMQU-XMMPIXPASA-N 1 3 319.472 4.664 50 5 biogenic DJBAHO CC(C)[N@@+]1(Cc2ccccc2)c2ccccc2C2=C1CCN(C)C2 ZINC000247694611 563537073 /nfs/dbraw/zinc/53/70/73/563537073.db2.gz YQHXJMWEQOYPRY-DEOSSOPVSA-N 1 3 319.472 4.663 50 5 biogenic DJBAHO CCC[N@+]1(Cc2ccccc2)c2ccccc2C2=C1CCN(C)C2 ZINC000252462858 563915363 /nfs/dbraw/zinc/91/53/63/563915363.db2.gz WUIPOABWRCWMQU-DEOSSOPVSA-N 1 3 319.472 4.664 50 5 biogenic DJBAHO CC(C)[N@+]1(Cc2ccccc2)c2ccccc2C2=C1CCN(C)C2 ZINC000247694612 563538117 /nfs/dbraw/zinc/53/81/17/563538117.db2.gz YQHXJMWEQOYPRY-XMMPIXPASA-N 1 3 319.472 4.663 50 5 biogenic DJBAHO