smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](c2[nH]ncc2C(=O)N2CCOCC2)C1 ZINC000328603157 569416938 /nfs/dbraw/zinc/41/69/38/569416938.db2.gz FFBORFOORQFMJM-QGZVFWFLSA-N 0 1 407.474 2.082 10 30 HEEEMN C=C[C@]12C=CCN3CC[C@@]4(c5cc(OC(C)=O)ccc5NC(=O)[C@@]4(C(=O)OC)C1)[C@@H]32 ZINC000096023687 568685961 /nfs/dbraw/zinc/68/59/61/568685961.db2.gz WNMYJNHYRVHLTP-XSEFMFLKSA-N 0 1 408.454 2.181 10 30 HEEEMN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](c2[nH]ncc2C(=O)N2CCOCC2)C1 ZINC000328603156 569416956 /nfs/dbraw/zinc/41/69/56/569416956.db2.gz FFBORFOORQFMJM-KRWDZBQOSA-N 0 1 407.474 2.082 10 30 HEEEMN C=CCn1cc(Br)c(NS(=O)(=O)c2ccsc2C(=O)OC)n1 ZINC000095466338 568624125 /nfs/dbraw/zinc/62/41/25/568624125.db2.gz SHUUQXCKENBXBA-UHFFFAOYSA-N 0 1 406.283 2.481 10 30 HEEEMN