smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cnc(-c2ccccc2)nc1 ZINC000001180030 132240787 /nfs/dbraw/zinc/24/07/87/132240787.db2.gz GGIXFYJVVLJOEO-YVLHZVERSA-N 0 2 404.813 4.304 10 10 HICELN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c5c(c3)CCCN5CCC4)C2=O)cc1 ZINC000002315337 132252429 /nfs/dbraw/zinc/25/24/29/132252429.db2.gz XTTBFKMTCOCSKQ-XSFVSMFZSA-N 0 2 401.466 4.201 10 10 HICELN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)/C1=C/c1cccc(Br)c1 ZINC000002772753 132257723 /nfs/dbraw/zinc/25/77/23/132257723.db2.gz GHCVGRYEMLFZHQ-SFQUDFHCSA-N 0 2 421.250 4.269 10 10 HICELN CCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000002931291 132259873 /nfs/dbraw/zinc/25/98/73/132259873.db2.gz CYNQAEPMSKIHFK-QGOAFFKASA-N 0 2 424.453 4.389 10 10 HICELN COc1cc(C(=S)C=C(O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000005743637 557672335 /nfs/dbraw/zinc/67/23/35/557672335.db2.gz JYGWPMBEMMQLIY-UHFFFAOYSA-N 0 2 409.301 4.466 10 10 HICELN