smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@H](O)C(C)(C)O)C[C@@H](O)C[C@@H]1O ZINC000033820684 563084803 /nfs/dbraw/zinc/08/48/03/563084803.db2.gz WFZKUWGUJVKMHC-NABJBPAWSA-N 0 0 432.645 4.676 30 30 in-vitro IJECRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@](C)(O)C(C)(C)O)C[C@@H](O)C[C@@H]1O ZINC000029550140 563081937 /nfs/dbraw/zinc/08/19/37/563081937.db2.gz KRGCLKZOZQUAFK-MIKOUBCXSA-N 0 0 444.656 4.842 30 30 IJECRN