smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1c(O)c(O)c2c(c1C=O)C=C1[C@]2(C)CCCC1(C)C ZINC000013451924 290936655 /nfs/dbraw/zinc/93/66/55/290936655.db2.gz MLZIUWDMOAACSJ-FQEVSTJZSA-N 0 1 314.425 4.899 1 10 biogenic,in-vitro DJCFMN CC(C)[N@@H+](C)Cc1cc(-c2nc3ccccc3s2)ccc1[O-] ZINC000019148444 182106117 /nfs/dbraw/zinc/10/61/17/182106117.db2.gz KFYKHSVELCCNII-UHFFFAOYSA-N 0 1 312.438 4.509 1 10 DJCFMN