smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(Cl)cccc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278388413 188381548 /nfs/dbraw/zinc/38/15/48/188381548.db2.gz MPFJBYLKYPBVTD-NXEZZACHSA-N -1 2 243.690 0.583 20 10 BCCDLM Oc1c(Cl)cccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278388407 188204069 /nfs/dbraw/zinc/20/40/69/188204069.db2.gz MPFJBYLKYPBVTD-AOOOYVTPSA-N -1 2 243.690 0.583 20 10 BCCDLM O=C1N=NC2C[N@H+](Cc3ccccc3O)CCN12 ZINC000761511904 585416730 /nfs/dbraw/zinc/41/67/30/585416730.db2.gz UILKLUWRPNLBQF-UHFFFAOYSA-N -1 2 246.270 0.705 20 10 BCCDLM