smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1 ZINC000067870686 560050547 /nfs/dbraw/zinc/05/05/47/560050547.db2.gz YZQGKSINIOZBGF-BBTUJRGHSA-N 2 1 401.624 2.867 40 30 biogenic,in-vitro HFEBMP