smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)nc1 ZINC000028523473 581099721 /nfs/dbraw/zinc/09/97/21/581099721.db2.gz WTQUFLCBZNLWEN-UHFFFAOYSA-N -1 2 382.803 4.265 1 0 GIAFLM CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc([P@@](=O)([O-])O)cn1 ZINC000058575568 205176744 /nfs/dbraw/zinc/17/67/44/205176744.db2.gz UKDQEYCWLCYRAP-UHFFFAOYSA-N -1 2 388.448 4.392 1 0 GIAFLM CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc([P@](=O)([O-])O)cn1 ZINC000058575568 205176747 /nfs/dbraw/zinc/17/67/47/205176747.db2.gz UKDQEYCWLCYRAP-UHFFFAOYSA-N -1 2 388.448 4.392 1 0 GIAFLM O=C(Nc1ccccc1C(F)(F)F)c1ccc(C(F)(F)[P@](=O)([O-])O)cc1 ZINC000049050440 205125195 /nfs/dbraw/zinc/12/51/95/205125195.db2.gz MFALURKNVUACQI-UHFFFAOYSA-N -1 2 395.220 4.185 1 0 GIAFLM O=C(Nc1ccccc1C(F)(F)F)c1ccc(C(F)(F)[P@@](=O)([O-])O)cc1 ZINC000049050440 205125199 /nfs/dbraw/zinc/12/51/99/205125199.db2.gz MFALURKNVUACQI-UHFFFAOYSA-N -1 2 395.220 4.185 1 0 GIAFLM O=C([O-])c1ccc(Cn2cnc3ccc(C=C=Cc4ccccc4)cc3c2=O)cc1 ZINC000029133029 581099836 /nfs/dbraw/zinc/09/98/36/581099836.db2.gz WGABLHIJVWTAKI-UHFFFAOYSA-N -1 2 394.430 4.469 1 0 GIAFLM