smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC=C[N+](=O)[N-][C@H](C)CCCCCC ZINC000001731949 166067507 /nfs/dbraw/zinc/06/75/07/166067507.db2.gz FUYKXTQKPBIJNW-PMXUNTMQSA-N 0 1 198.310 3.841 40 10 AHCBMN CC=C[N+](=O)[N-][C@H](C)CCCCCC ZINC000017021437 166070728 /nfs/dbraw/zinc/07/07/28/166070728.db2.gz FUYKXTQKPBIJNW-QTRAZNSRSA-N 0 1 198.310 3.841 40 10 AHCBMN Cc1cc(Cl)cc2scc(O)c21 ZINC000100354342 343715638 /nfs/dbraw/zinc/71/56/38/343715638.db2.gz DKYFBPUTEGRWLF-UHFFFAOYSA-N 0 1 198.674 3.569 40 10 AHCBMN CC=C[N+](=O)[N-][C@H](C)CCCCCC ZINC000104155755 166070119 /nfs/dbraw/zinc/07/01/19/166070119.db2.gz FUYKXTQKPBIJNW-RCLNTOESSA-N 0 1 198.310 3.841 40 10 AHCBMN CC=C[N+](=O)[N-][C@H](C)CCCCCC ZINC000104155760 166067235 /nfs/dbraw/zinc/06/72/35/166067235.db2.gz FUYKXTQKPBIJNW-XUMHCGTHSA-N 0 1 198.310 3.841 40 10 AHCBMN