smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1CC[C@H]3O1 ZINC000018183490 518202459 /nfs/dbraw/zinc/20/24/59/518202459.db2.gz OTPNDVKVEAIXTI-IYBDPMFKSA-N -1 3 393.402 4.607 10 5 in-vivo GJBEHM CC(C)=CCc1c([O-])c2c(O)c3cccc(O)c3[nH]c-2c(CC=C(C)C)c1=O ZINC000004098819 560196246 /nfs/dbraw/zinc/19/62/46/560196246.db2.gz GLXYKTASIIUSRC-UHFFFAOYSA-N -1 3 379.456 4.816 10 5 biogenic,in-vitro GJBEHM