smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CC[C@@H](c5ccc(F)cc5)[C@H](COc5ccc6c(c5)OCO6)C4)[C@H]3C=C12 ZINC000217456879 571601633 /nfs/dbraw/zinc/60/16/33/571601633.db2.gz JIVVYSVNBXXPDE-QQNYZSODSA-N 1 0 561.694 6.353 50 70 biogenic KKIARO Fc1ccc(Cn2c3ccccc3nc2NC2CCN(CC[NH+]3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000160691687 571530765 /nfs/dbraw/zinc/53/07/65/571530765.db2.gz TXSIEQLVBBRJCX-UHFFFAOYSA-N 1 0 674.844 7.214 50 70 KKIARO