smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c(S(=O)(=O)F)c1 ZINC001164884903 721452970 /nfs/dbraw/zinc/45/29/70/721452970.db2.gz CGFKVNOTOQVRKW-DYESRHJHSA-N 0 1 470.567 1.292 20 70 JDIDMN COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(S(=O)(=O)F)c1 ZINC001164884904 721452895 /nfs/dbraw/zinc/45/28/95/721452895.db2.gz CGFKVNOTOQVRKW-LAUBAEHRSA-N 0 1 470.567 1.292 20 70 JDIDMN COC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(S(=O)(=O)F)c1 ZINC001164884906 721452291 /nfs/dbraw/zinc/45/22/91/721452291.db2.gz CGFKVNOTOQVRKW-UWJYYQICSA-N 0 1 470.567 1.292 20 70 JDIDMN COC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c(S(=O)(=O)F)c1 ZINC001164884905 721452495 /nfs/dbraw/zinc/45/24/95/721452495.db2.gz CGFKVNOTOQVRKW-UTKZUKDTSA-N 0 1 470.567 1.292 20 70 JDIDMN