smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1/C=[NH+]\CC1CCC(C/[NH+]=C\c2ccccc2O)CC1 ZINC000104128045 526369689 /nfs/dbraw/zinc/36/96/89/526369689.db2.gz IQUQYVNGKZBPPJ-MPKYGIEOSA-N 2 2 350.462 4.442 40 30 FIEBLP C[NH+](C)CCCNc1nc(Nc2cccc(C#N)c2)cc(-c2ccccc2)[nH+]1 ZINC000243961449 209366106 /nfs/dbraw/zinc/36/61/06/209366106.db2.gz SARVXPUMRSHSPQ-UHFFFAOYSA-N 2 2 372.476 4.122 40 30 FIEBLP C[NH+](C)CCCNc1nc(Nc2ccccc2C#N)cc(-c2ccccc2)[nH+]1 ZINC000244045345 570610424 /nfs/dbraw/zinc/61/04/24/570610424.db2.gz SYYGYCNENSKNTC-UHFFFAOYSA-N 2 2 372.476 4.122 40 30 FIEBLP