smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000012113176 431491808 /nfs/dbraw/zinc/49/18/08/431491808.db2.gz OCLVGDHKPYKYSJ-NHCUHLMSSA-N 2 1 304.437 3.268 40 30 DGEBMP C#CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000012113176 431491815 /nfs/dbraw/zinc/49/18/15/431491815.db2.gz OCLVGDHKPYKYSJ-NHCUHLMSSA-N 2 1 304.437 3.268 40 30 DGEBMP C#CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000012113177 431490891 /nfs/dbraw/zinc/49/08/91/431490891.db2.gz OCLVGDHKPYKYSJ-RTWAWAEBSA-N 2 1 304.437 3.268 40 30 DGEBMP C#CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000012113177 431490898 /nfs/dbraw/zinc/49/08/98/431490898.db2.gz OCLVGDHKPYKYSJ-RTWAWAEBSA-N 2 1 304.437 3.268 40 30 DGEBMP C#CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000248001956 432261522 /nfs/dbraw/zinc/26/15/22/432261522.db2.gz OCLVGDHKPYKYSJ-LEWJYISDSA-N 2 1 304.437 3.268 40 30 DGEBMP C#CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000248001956 432261528 /nfs/dbraw/zinc/26/15/28/432261528.db2.gz OCLVGDHKPYKYSJ-LEWJYISDSA-N 2 1 304.437 3.268 40 30 DGEBMP C#CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000248001957 432261162 /nfs/dbraw/zinc/26/11/62/432261162.db2.gz OCLVGDHKPYKYSJ-SFTDATJTSA-N 2 1 304.437 3.268 40 30 DGEBMP C#CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000248001957 432261164 /nfs/dbraw/zinc/26/11/64/432261164.db2.gz OCLVGDHKPYKYSJ-SFTDATJTSA-N 2 1 304.437 3.268 40 30 DGEBMP