smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)N/C(=C\c2ccc(OC)c(OC)c2)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1 ZINC000159770450 571530635 /nfs/dbraw/zinc/53/06/35/571530635.db2.gz KWPOTZWLXFFKQH-JLPGSUDCSA-N 0 2 649.682 3.730 50 70 KHIALN COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cc3cc5c(cc3[nH]c2=O)OCO5)CC(=O)O4)cc1O ZINC000217756533 571602560 /nfs/dbraw/zinc/60/25/60/571602560.db2.gz ARQPOOFTSUIAGN-CQSZACIVSA-N 0 2 541.468 3.891 50 70 KHIALN COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cc3cc5c(cc3[nH]c2=O)OCO5)CC(=O)O4)cc1O ZINC000217756620 571602528 /nfs/dbraw/zinc/60/25/28/571602528.db2.gz ARQPOOFTSUIAGN-AWEZNQCLSA-N 0 2 541.468 3.891 50 70 KHIALN