smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccccc4)=CC3=O)c2cc1NC(=O)/C=C/C[NH+](C)C ZINC000100460722 562807152 /nfs/dbraw/zinc/80/71/52/562807152.db2.gz OZJNFEMRGXMBKA-DHZHZOJOSA-N 1 0 527.581 3.633 10 30 KHEERO C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@@H]([NH3+])C[C@H]2O)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000115193490 562828795 /nfs/dbraw/zinc/82/87/95/562828795.db2.gz KPVIXBKIJXZQJX-FCEONZPQSA-N 1 0 507.737 3.867 10 30 investigational KHEERO