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+]c(C(C)C)ccc1CNc1ccc2c[nH+]ccc2c1 ZINC000453167829 331096407 /nfs/dbraw/zinc/09/64/07/331096407.db2.gz UHUJATGGKPQCTG-UHFFFAOYSA-N 2 2 291.398 4.674 20 0 CJADLP Cc1cc[nH+]cc1CCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000576671236 335232967 /nfs/dbraw/zinc/23/29/67/335232967.db2.gz FIGKMFRGXRBPPB-KRWDZBQOSA-N 2 2 294.442 4.548 20 0 CJADLP Cc1cc[nH+]cc1CCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000576671236 335232966 /nfs/dbraw/zinc/23/29/66/335232966.db2.gz FIGKMFRGXRBPPB-KRWDZBQOSA-N 2 2 294.442 4.548 20 0 CJADLP Cc1cc[nH+]cc1CCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000576671237 335232847 /nfs/dbraw/zinc/23/28/47/335232847.db2.gz FIGKMFRGXRBPPB-QGZVFWFLSA-N 2 2 294.442 4.548 20 0 CJADLP Cc1cc[nH+]cc1CCC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000576671237 335232846 /nfs/dbraw/zinc/23/28/46/335232846.db2.gz FIGKMFRGXRBPPB-QGZVFWFLSA-N 2 2 294.442 4.548 20 0 CJADLP