smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CC[C@@]1(C(=O)O[C@@H]2Cc3c(O)c4c(=O)cc(C)oc4cc3OC2(C)C)O[C@@H]1C ZINC000085594160 291205681 /nfs/dbraw/zinc/20/56/81/291205681.db2.gz QZHHFKOYAUEAHJ-LPCJOIQWSA-N 1 2 417.458 2.199 1 30 biogenic,in-vitro HEEFLO C[NH2+]CC[C@]1(C(=O)O[C@@H]2Cc3c(O)c4c(=O)cc(C)oc4cc3OC2(C)C)O[C@@H]1C ZINC000085594159 291205686 /nfs/dbraw/zinc/20/56/86/291205686.db2.gz QZHHFKOYAUEAHJ-IPTDYSPRSA-N 1 2 417.458 2.199 1 30 biogenic,in-vitro HEEFLO