smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)CCl)cn2)[C@H]2CCCO[C@@H]12 ZINC001164806211 721587356 /nfs/dbraw/zinc/58/73/56/721587356.db2.gz MJSWEZBXWVZSEE-WAOWUJCRSA-N 0 1 415.925 2.522 20 50 HFGDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)CCl)cn2)[C@@H]2CCCO[C@H]12 ZINC001164806209 721587005 /nfs/dbraw/zinc/58/70/05/721587005.db2.gz MJSWEZBXWVZSEE-OPYAIIAOSA-N 0 1 415.925 2.522 20 50 HFGDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)CCl)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164806208 721587282 /nfs/dbraw/zinc/58/72/82/721587282.db2.gz MJSWEZBXWVZSEE-DBXWQHBBSA-N 0 1 415.925 2.522 20 50 HFGDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)CCl)cn2)[C@H]2CCCO[C@H]12 ZINC001164806210 721586953 /nfs/dbraw/zinc/58/69/53/721586953.db2.gz MJSWEZBXWVZSEE-UEXGIBASSA-N 0 1 415.925 2.522 20 50 HFGDMN