smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CC1CCCCC1)NC(=O)/C=C/C(=O)[O-] ZINC000028381890 563062901 /nfs/dbraw/zinc/06/29/01/563062901.db2.gz LAZQZZMFAHELHM-FHQWLQQXSA-N -1 2 476.486 0.909 1 5 JCBFLM COc1c(O)cc2c(=O)oc3c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c([O-])cc4c(=O)oc1c2c43 ZINC000033832610 563111059 /nfs/dbraw/zinc/11/10/59/563111059.db2.gz UNIJYMVRSKZTJI-HFGFDTQGSA-N -1 2 462.363 0.117 1 5 biogenic,in-vitro JCBFLM COc1c(O)cc2c(=O)oc3c(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c([O-])cc4c(=O)oc1c2c43 ZINC000095913627 291436799 /nfs/dbraw/zinc/43/67/99/291436799.db2.gz UNIJYMVRSKZTJI-SOTUJYEISA-N -1 2 462.363 0.117 1 5 biogenic,in-vitro JCBFLM