smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P([O-])(O)C(Cn1cnc2cncnc21)[P@](=O)([O-])O ZINC000040846382 183141168 /nfs/dbraw/zinc/14/11/68/183141168.db2.gz JGHPTTVGCUEGGI-UHFFFAOYSA-N -2 2 308.127 -0.492 1 0 in-vivo DBAFLL O=P([O-])(O)C(Cn1cnc2cncnc21)[P@@](=O)([O-])O ZINC000040846382 183141172 /nfs/dbraw/zinc/14/11/72/183141172.db2.gz JGHPTTVGCUEGGI-UHFFFAOYSA-N -2 2 308.127 -0.492 1 0 in-vivo DBAFLL O=C([O-])C1(N(CP(=O)([O-])O)C[P@](=O)([O-])O)CCCC1 ZINC000040879718 183146071 /nfs/dbraw/zinc/14/60/71/183146071.db2.gz YCDLAHCVQJZLBR-UHFFFAOYSA-N -3 2 317.171 -0.044 1 0 DBAFLL O=C([O-])C1(N(CP(=O)([O-])O)C[P@@](=O)([O-])O)CCCC1 ZINC000040879718 183146072 /nfs/dbraw/zinc/14/60/72/183146072.db2.gz YCDLAHCVQJZLBR-UHFFFAOYSA-N -3 2 317.171 -0.044 1 0 DBAFLL