smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)NC1=O ZINC000104033799 204093506 /nfs/dbraw/zinc/09/35/06/204093506.db2.gz SFWRNQLOTDZVRJ-UHFFFAOYSA-N 0 2 328.353 0.388 3 10 ECCFLN Cc1cc(C)c(C2C(=O)N3CCS(=O)(=O)CCN3C2=O)c(C)c1 ZINC000103272832 219280015 /nfs/dbraw/zinc/28/00/15/219280015.db2.gz FMLMKFHPHGITMS-UHFFFAOYSA-N 0 2 336.413 0.710 1 10 ECCFLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC=C1C(=O)NN=C1c1ccccc1 ZINC000072177662 216065803 /nfs/dbraw/zinc/06/58/03/216065803.db2.gz VBIZSOSXLVKQRQ-FSBNRTBOSA-N 0 2 325.328 0.413 1 10 ECCFLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC=C1C(=O)NN=C1c1ccccc1 ZINC000072177662 216065805 /nfs/dbraw/zinc/06/58/05/216065805.db2.gz VBIZSOSXLVKQRQ-FSBNRTBOSA-N 0 2 325.328 0.413 1 10 ECCFLN