smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c4ncnc5N)[C@H](O)[C@H]3O)c2cc1C ZINC000221086295 571604185 /nfs/dbraw/zinc/60/41/85/571604185.db2.gz VWWQXMAJTJZDQX-ZCXLIKNTSA-N -2 2 785.557 -2.424 40 5 KABBLL