smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C[NH3+])c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000034936141 343280757 /nfs/dbraw/zinc/28/07/57/343280757.db2.gz DPUYWPDXDDFNDW-UHFFFAOYSA-N 2 2 243.354 2.619 10 10 BFCELP C[NH+](C)C1CCC([NH2+]c2ccc(N)cc2)CC1 ZINC000148575822 346332325 /nfs/dbraw/zinc/33/23/25/346332325.db2.gz UVWGEHCXWLCCLG-UHFFFAOYSA-N 2 2 233.359 2.554 10 10 BFCELP COc1ccc([N@H+](C)CC2(C)CC[NH2+]CC2)cc1 ZINC000062841922 175136211 /nfs/dbraw/zinc/13/62/11/175136211.db2.gz XYJDKHQMBWHGFD-UHFFFAOYSA-N 2 2 248.370 2.521 10 10 BFCELP COc1ccc([N@@H+](C)CC2(C)CC[NH2+]CC2)cc1 ZINC000062841922 175136214 /nfs/dbraw/zinc/13/62/14/175136214.db2.gz XYJDKHQMBWHGFD-UHFFFAOYSA-N 2 2 248.370 2.521 10 10 BFCELP