smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000159371214 332080064 /nfs/dbraw/zinc/08/00/64/332080064.db2.gz GCNVTMSVSHVOIV-HKUYNNGSSA-N 2 0 324.578 4.437 20 70 DIIDRP CC(C)C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccccn1 ZINC000160855343 333672359 /nfs/dbraw/zinc/67/23/59/333672359.db2.gz OCDQVYXBGXSEKO-HXUWFJFHSA-N 2 0 311.473 4.020 20 70 DIIDRP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)c2ccccc21 ZINC000160882362 333677550 /nfs/dbraw/zinc/67/75/50/333677550.db2.gz JIEZIVQQPLOHNK-HRAATJIYSA-N 2 0 308.469 4.476 20 70 DIIDRP CCS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000159371462 332080020 /nfs/dbraw/zinc/08/00/20/332080020.db2.gz GCNVTMSVSHVOIV-MJGOQNOKSA-N 2 0 324.578 4.437 20 70 DIIDRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)c2ccccc21 ZINC000160881984 333677432 /nfs/dbraw/zinc/67/74/32/333677432.db2.gz JIEZIVQQPLOHNK-IERDGZPVSA-N 2 0 308.469 4.476 20 70 DIIDRP CCS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000159371337 332079980 /nfs/dbraw/zinc/07/99/80/332079980.db2.gz GCNVTMSVSHVOIV-IEBWSBKVSA-N 2 0 324.578 4.437 20 70 DIIDRP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)c2ccccc21 ZINC000160882112 333677380 /nfs/dbraw/zinc/67/73/80/333677380.db2.gz JIEZIVQQPLOHNK-KKSFZXQISA-N 2 0 308.469 4.476 20 70 DIIDRP CCS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000159371086 332080028 /nfs/dbraw/zinc/08/00/28/332080028.db2.gz GCNVTMSVSHVOIV-PKOBYXMFSA-N 2 0 324.578 4.437 20 70 DIIDRP