smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1C ZINC000245798190 650836845 /nfs/dbraw/zinc/83/68/45/650836845.db2.gz XLHUNOZTGQWCHW-GOEBONIOSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245798190 650836849 /nfs/dbraw/zinc/83/68/49/650836849.db2.gz XLHUNOZTGQWCHW-GOEBONIOSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000245798190 650836853 /nfs/dbraw/zinc/83/68/53/650836853.db2.gz XLHUNOZTGQWCHW-GOEBONIOSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245798190 650836861 /nfs/dbraw/zinc/83/68/61/650836861.db2.gz XLHUNOZTGQWCHW-GOEBONIOSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245798190 650836865 /nfs/dbraw/zinc/83/68/65/650836865.db2.gz XLHUNOZTGQWCHW-GOEBONIOSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000093644181 375281139 /nfs/dbraw/zinc/28/11/39/375281139.db2.gz XLHUNOZTGQWCHW-GDBMZVCRSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000093644181 375281145 /nfs/dbraw/zinc/28/11/45/375281145.db2.gz XLHUNOZTGQWCHW-GDBMZVCRSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644181 375281147 /nfs/dbraw/zinc/28/11/47/375281147.db2.gz XLHUNOZTGQWCHW-GDBMZVCRSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644181 375281152 /nfs/dbraw/zinc/28/11/52/375281152.db2.gz XLHUNOZTGQWCHW-GDBMZVCRSA-N 2 1 276.424 2.924 50 10 CFCAMP C[NH+](C)Cc1cc(C(C)(C)C)cc(C[NH+](C)C)c1O ZINC000000610623 371643627 /nfs/dbraw/zinc/64/36/27/371643627.db2.gz HFYDSFHQXIJOCT-UHFFFAOYSA-N 2 1 264.413 2.813 50 10 in-vitro CFCAMP Cc1cc(O)c(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1C ZINC000245798197 650836935 /nfs/dbraw/zinc/83/69/35/650836935.db2.gz XLHUNOZTGQWCHW-HOCLYGCPSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245798197 650836948 /nfs/dbraw/zinc/83/69/48/650836948.db2.gz XLHUNOZTGQWCHW-HOCLYGCPSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000245798197 650836951 /nfs/dbraw/zinc/83/69/51/650836951.db2.gz XLHUNOZTGQWCHW-HOCLYGCPSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245798197 650836955 /nfs/dbraw/zinc/83/69/55/650836955.db2.gz XLHUNOZTGQWCHW-HOCLYGCPSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245798197 650836961 /nfs/dbraw/zinc/83/69/61/650836961.db2.gz XLHUNOZTGQWCHW-HOCLYGCPSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000093644182 375280570 /nfs/dbraw/zinc/28/05/70/375280570.db2.gz XLHUNOZTGQWCHW-ZBFHGGJFSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000093644182 375280572 /nfs/dbraw/zinc/28/05/72/375280572.db2.gz XLHUNOZTGQWCHW-ZBFHGGJFSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644182 375280576 /nfs/dbraw/zinc/28/05/76/375280576.db2.gz XLHUNOZTGQWCHW-ZBFHGGJFSA-N 2 1 276.424 2.924 50 10 CFCAMP Cc1cc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644182 375280580 /nfs/dbraw/zinc/28/05/80/375280580.db2.gz XLHUNOZTGQWCHW-ZBFHGGJFSA-N 2 1 276.424 2.924 50 10 CFCAMP