smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N+]1(CCCCCCCCCCCC[N+]2(CCCC)CCCC2)CCCC1 ZINC000013679892 717109405 /nfs/dbraw/zinc/10/94/05/717109405.db2.gz SUURYGHSCZUBDB-UHFFFAOYSA-N 2 0 422.786 7.709 1 5 HKBFRP COc1cccc2c1CCC[C@H]2CCC[N+]1(C)CC[N+](C)(C2CCCCC2)CC1 ZINC000045287894 717129812 /nfs/dbraw/zinc/12/98/12/717129812.db2.gz SEIKRMHLHSCJNZ-ZJOVHXHXSA-N 2 0 400.651 5.135 1 5 HKBFRP COc1cccc2c1CCC[C@@H]2CCC[N+]1(C)CC[N+](C)(C2CCCCC2)CC1 ZINC000045287896 717130083 /nfs/dbraw/zinc/13/00/83/717130083.db2.gz SEIKRMHLHSCJNZ-BQEUZBSESA-N 2 0 400.651 5.135 1 5 HKBFRP c1cc(C[N+]23CCC(CC2)CC3)cc(-c2cccc(C[N+]34CCC(CC3)CC4)c2)c1 ZINC000071341912 717133201 /nfs/dbraw/zinc/13/32/01/717133201.db2.gz UIHMPKAPVFKAFT-UHFFFAOYSA-N 2 0 402.626 5.615 1 5 HKBFRP C[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C)[N+](C)(C)C ZINC000255214414 717171000 /nfs/dbraw/zinc/17/10/00/717171000.db2.gz GZSAKRZKIDBCQL-NECKQZKDSA-N 2 0 404.727 5.815 1 5 HKBFRP C[C@H]([C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H]([N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)[N+](C)(C)C ZINC000255214415 717171118 /nfs/dbraw/zinc/17/11/18/717171118.db2.gz GZSAKRZKIDBCQL-PNIPQYGLSA-N 2 0 404.727 5.815 1 5 HKBFRP CC[N+](CC)(CC)Cc1ccc(C(=O)c2ccc(C[N+](CC)(CC)CC)cc2)cc1 ZINC000299844540 717181245 /nfs/dbraw/zinc/18/12/45/717181245.db2.gz DQCFTSPWQNWMAQ-UHFFFAOYSA-N 2 0 410.646 5.671 1 5 HKBFRP