smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000035050008 202285135 /nfs/dbraw/zinc/28/51/35/202285135.db2.gz VMXLXIXJLUZNKL-NRFANRHFSA-N 0 3 345.442 4.537 1 10 EJCFHN CC(=O)Nc1ccc2c(c1)nc1ccccc1c2Nc1ccc(N)cc1 ZINC000026940400 202150490 /nfs/dbraw/zinc/15/04/90/202150490.db2.gz NIUNXSHUSNJFOD-UHFFFAOYSA-N 0 3 342.402 4.672 1 10 EJCFHN CNC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1 ZINC000005140927 210397857 /nfs/dbraw/zinc/39/78/57/210397857.db2.gz VZCFVDFGLKRPNA-UHFFFAOYSA-N 0 3 342.402 4.883 1 10 EJCFHN CN1CCc2cc(O)c(O)cc2[C@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000035050009 213005767 /nfs/dbraw/zinc/00/57/67/213005767.db2.gz VMXLXIXJLUZNKL-OAQYLSRUSA-N 0 3 345.442 4.537 1 10 EJCFHN CN(C)c1ccc(/C=C2\CCN3Cc4ccccc4N=C23)c(Cl)c1 ZINC000101030339 219114349 /nfs/dbraw/zinc/11/43/49/219114349.db2.gz FWMALHBOBWIGQN-RVDMUPIBSA-N 0 3 337.854 4.739 1 10 EJCFHN