smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)ccc1OC[C@@H](O)C[N+](C)(C)Cc1ccc(Cl)cc1Cl ZINC000256031014 717174552 /nfs/dbraw/zinc/17/45/52/717174552.db2.gz XKRMRBHVCZWMKM-KRWDZBQOSA-N 1 0 403.757 4.972 10 5 HJBERO Cc1cc(Cl)ccc1OC[C@@H](O)C[N+](C)(C)Cc1ccc(Cl)c(Cl)c1 ZINC000256030783 717174651 /nfs/dbraw/zinc/17/46/51/717174651.db2.gz RXHWODSNUSOBNS-INIZCTEOSA-N 1 0 403.757 4.972 10 5 HJBERO Cc1cc(Cl)ccc1OC[C@H](O)C[N+](C)(C)Cc1ccc(Cl)c(Cl)c1 ZINC000256030784 717174640 /nfs/dbraw/zinc/17/46/40/717174640.db2.gz RXHWODSNUSOBNS-MRXNPFEDSA-N 1 0 403.757 4.972 10 5 HJBERO Cc1cc(Cl)ccc1OC[C@H](O)C[N+](C)(C)Cc1ccc(Cl)cc1Cl ZINC000256031015 717174609 /nfs/dbraw/zinc/17/46/09/717174609.db2.gz XKRMRBHVCZWMKM-QGZVFWFLSA-N 1 0 403.757 4.972 10 5 HJBERO