smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c2cc(-c3ccccc3)sc21 ZINC001164722020 720391537 /nfs/dbraw/zinc/39/15/37/720391537.db2.gz BOZDIRSQGIDWFA-XZOQPEGZSA-N 0 3 437.572 5.083 20 30 IKEDHN N#Cc1cnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c2cc(-c3ccccc3)sc21 ZINC001164722013 720391053 /nfs/dbraw/zinc/39/10/53/720391053.db2.gz BOZDIRSQGIDWFA-DHIUTWEWSA-N 0 3 437.572 5.083 20 30 IKEDHN N#Cc1cnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c2cc(-c3ccccc3)sc21 ZINC001164722018 720391553 /nfs/dbraw/zinc/39/15/53/720391553.db2.gz BOZDIRSQGIDWFA-GOTSBHOMSA-N 0 3 437.572 5.083 20 30 IKEDHN N#Cc1cnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c2cc(-c3ccccc3)sc21 ZINC001164722019 720391086 /nfs/dbraw/zinc/39/10/86/720391086.db2.gz BOZDIRSQGIDWFA-PKTZIBPZSA-N 0 3 437.572 5.083 20 30 IKEDHN