smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc(-c2cccnc2)cc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000011881873 570711472 /nfs/dbraw/zinc/71/14/72/570711472.db2.gz RFGSOTWHEAUTRE-UHFFFAOYSA-N 2 1 351.494 3.905 50 10 FHCAMP Cc1ccc(O)c(C[N@H+]2CCc3nc[nH]c3[C@@H]2C2CC[NH+](C(C)C)CC2)c1 ZINC000072422392 571193497 /nfs/dbraw/zinc/19/34/97/571193497.db2.gz WAHRKCZCYWRFJV-QFIPXVFZSA-N 2 1 368.525 3.644 50 10 FHCAMP COc1ccc(CC[N@H+](Cc2ccccc2O)CC2CC[NH+](C)CC2)cc1 ZINC000011816828 570707738 /nfs/dbraw/zinc/70/77/38/570707738.db2.gz MPBRXXQZTMKSIZ-UHFFFAOYSA-N 2 1 368.521 3.787 50 10 FHCAMP Cc1ccc(O)c(C[N@H+]2CCc3nc[nH]c3[C@H]2C2CC[NH+](C(C)C)CC2)c1 ZINC000072422393 571193627 /nfs/dbraw/zinc/19/36/27/571193627.db2.gz WAHRKCZCYWRFJV-JOCHJYFZSA-N 2 1 368.525 3.644 50 10 FHCAMP C[N@H+](Cc1ccccc1O)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000015080428 220146905 /nfs/dbraw/zinc/14/69/05/220146905.db2.gz IINWBUXLDMCKFE-UHFFFAOYSA-N 2 1 356.485 3.918 50 10 FHCAMP