smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]n2c(nc(C3CC3)cc2C(F)(F)F)c1N=Nc1ccccc1 ZINC000102651417 219219561 /nfs/dbraw/zinc/21/95/61/219219561.db2.gz WDELGAYTDJGYPE-DQRAZIAOSA-N 0 2 347.300 4.334 1 10 EICFLN Cc1cc(C)n2[nH]c(=O)c(N=Nc3cccc(C(F)(F)F)c3)c2n1 ZINC000017887957 211973888 /nfs/dbraw/zinc/97/38/88/211973888.db2.gz FQVAFGRKZUFQLS-MRCUWXFGSA-N 0 2 335.289 4.074 1 10 EICFLN Cc1ccc(N=Nc2c(N)[nH]n3c2nc(-c2ccccc2)cc3=O)cc1 ZINC000102325621 219194648 /nfs/dbraw/zinc/19/46/48/219194648.db2.gz KIGHANJKBGICIZ-FCQUAONHSA-N 0 2 344.378 4.408 1 10 EICFLN Cc1ccc(N=Nc2c(N)[nH]n3c2nc(-c2ccccc2)cc3=O)cc1 ZINC000101474456 219128067 /nfs/dbraw/zinc/12/80/67/219128067.db2.gz KIGHANJKBGICIZ-GHVJWSGMSA-N 0 2 344.378 4.408 1 10 EICFLN