smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000936069318 1066866707 /nfs/dbraw/zinc/86/67/07/1066866707.db2.gz BTVYFIMKUHNOBZ-RLEZIREISA-N 0 1 695.762 3.630 20 30 KHEDMN