Run as: ionizer -i 2 -ph 7 -s ionizer_tiSHO_exclude.ini -i c_thio_pes_ln_corina.mae -l c_thio_pes_ln_corina_ionizer.log -b c_thio_pes_ln_corina_ionizer_bad.mae -o c_thio_pes_ln_corina_ionizer.mae

Ionizable group spec file used:
/raid4/people/joha/DB2/7_SUBS2SDF/ionizer_tiSHO_exclude.ini

Treating input CT 1 "ZINC00162948_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 1 "ZINC00162948_1_i001_c001"

Treating input CT 2 "ZINC02006361_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 2 "ZINC02006361_1_i001_c001"

Treating input CT 3 "ZINC02006361_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 3 "ZINC02006361_3_i001_c001"

Treating input CT 4 "ZINC02006361_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 4 "ZINC02006361_5_i001_c001"

Treating input CT 5 "ZINC01532120_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 5 "ZINC01532120_1_i001_c001"

Treating input CT 6 "ZINC01532120_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 6 "ZINC01532120_3_i001_c001"

Treating input CT 7 "ZINC02019745_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 7 "ZINC02019745_1_i001_c001"

Treating input CT 8 "ZINC01532120_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 8 "ZINC01532120_5_i001_c001"

Treating input CT 9 "ZINC01532120_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 9 "ZINC01532120_7_i001_c001"

Treating input CT 10 "ZINC02019745_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 10 "ZINC02019745_3_i001_c001"

Treating input CT 11 "ZINC02019745_5_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 11 "ZINC02019745_5_i001_c001"

Treating input CT 12 "ZINC02035982_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 12 "ZINC02035982_1_i001_c001"

Treating input CT 13 "ZINC02581881_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 13 "ZINC02581881_1_i001_c001"

Treating input CT 14 "ZINC02581881_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 14 "ZINC02581881_3_i001_c001"

Treating input CT 15 "ZINC02581881_5_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 15 "ZINC02581881_5_i001_c001"

Treating input CT 16 "ZINC01597520_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 16 "ZINC01597520_1_i001_c001"

Treating input CT 17 "ZINC01597520_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 17 "ZINC01597520_3_i001_c001"

Treating input CT 18 "ZINC01597520_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 18 "ZINC01597520_5_i001_c001"

Treating input CT 19 "ZINC01576335_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 19 "ZINC01576335_1_i001_c001"

Treating input CT 20 "ZINC01576335_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 20 "ZINC01576335_3_i001_c001"

Treating input CT 21 "ZINC01576335_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 21 "ZINC01576335_5_i001_c001"

Treating input CT 22 "ZINC01576335_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 22 "ZINC01576335_7_i001_c001"

Treating input CT 23 "ZINC01576335_9_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 23 "ZINC01576335_9_i001_c001"

Treating input CT 24 "ZINC01576335_11_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 24 "ZINC01576335_11_i001_c001"

Treating input CT 25 "ZINC03185661_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 25 "ZINC03185661_1_i001_c001"

Treating input CT 26 "ZINC03185661_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 26 "ZINC03185661_3_i001_c001"

Treating input CT 27 "ZINC03185661_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 27 "ZINC03185661_5_i001_c001"

Treating input CT 28 "ZINC01597504_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 28 "ZINC01597504_1_i001_c001"

Treating input CT 29 "ZINC01597504_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 29 "ZINC01597504_1_i001_c002"

Treating input CT 30 "ZINC01597504_1_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 30 "ZINC01597504_1_i001_c003"

Treating input CT 31 "ZINC01597504_1_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 31 "ZINC01597504_1_i001_c004"

Treating input CT 32 "ZINC01597504_1_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 32 "ZINC01597504_1_i001_c005"

Treating input CT 33 "ZINC01597504_1_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 33 "ZINC01597504_1_i001_c006"

Treating input CT 34 "ZINC01597504_1_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 34 "ZINC01597504_1_i001_c007"

Treating input CT 35 "ZINC01597504_1_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 35 "ZINC01597504_1_i001_c008"

Treating input CT 36 "ZINC01597504_1_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 36 "ZINC01597504_1_i001_c009"

Treating input CT 37 "ZINC01597504_1_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 37 "ZINC01597504_1_i001_c010"

Treating input CT 38 "ZINC01597504_1_i001_c011"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 38 "ZINC01597504_1_i001_c011"

Treating input CT 39 "ZINC01597504_1_i001_c012"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 39 "ZINC01597504_1_i001_c012"

Treating input CT 40 "ZINC01597504_1_i001_c013"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 40 "ZINC01597504_1_i001_c013"

Treating input CT 41 "ZINC01597504_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 41 "ZINC01597504_3_i001_c001"

Treating input CT 42 "ZINC01597504_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 42 "ZINC01597504_3_i001_c002"

Treating input CT 43 "ZINC01597504_3_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 43 "ZINC01597504_3_i001_c003"

Treating input CT 44 "ZINC01597504_3_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 44 "ZINC01597504_3_i001_c004"

Treating input CT 45 "ZINC01597504_3_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 45 "ZINC01597504_3_i001_c005"

Treating input CT 46 "ZINC01597504_3_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 46 "ZINC01597504_3_i001_c006"

Treating input CT 47 "ZINC01597504_3_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 47 "ZINC01597504_3_i001_c007"

Treating input CT 48 "ZINC01597504_3_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 48 "ZINC01597504_3_i001_c008"

Treating input CT 49 "ZINC01597504_3_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 49 "ZINC01597504_3_i001_c009"

Treating input CT 50 "ZINC01597504_3_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 50 "ZINC01597504_3_i001_c010"

Treating input CT 51 "ZINC01597504_3_i001_c011"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 51 "ZINC01597504_3_i001_c011"

Treating input CT 52 "ZINC01597504_3_i001_c012"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 52 "ZINC01597504_3_i001_c012"

Treating input CT 53 "ZINC01597504_3_i001_c013"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 53 "ZINC01597504_3_i001_c013"

Treating input CT 54 "ZINC01597504_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 54 "ZINC01597504_5_i001_c001"

Treating input CT 55 "ZINC01597504_5_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 55 "ZINC01597504_5_i001_c002"

Treating input CT 56 "ZINC01597504_5_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 56 "ZINC01597504_5_i001_c003"

Treating input CT 57 "ZINC01597504_5_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 57 "ZINC01597504_5_i001_c004"

Treating input CT 58 "ZINC01597504_5_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 58 "ZINC01597504_5_i001_c005"

Treating input CT 59 "ZINC01597504_5_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 59 "ZINC01597504_5_i001_c006"

Treating input CT 60 "ZINC01597504_5_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 60 "ZINC01597504_5_i001_c007"

Treating input CT 61 "ZINC01597504_5_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 61 "ZINC01597504_5_i001_c008"

Treating input CT 62 "ZINC01597504_5_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 62 "ZINC01597504_5_i001_c009"

Treating input CT 63 "ZINC01597504_5_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 63 "ZINC01597504_5_i001_c010"

Treating input CT 64 "ZINC01597504_5_i001_c011"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 64 "ZINC01597504_5_i001_c011"

Treating input CT 65 "ZINC01597504_5_i001_c012"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 65 "ZINC01597504_5_i001_c012"

Treating input CT 66 "ZINC01597504_5_i001_c013"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 66 "ZINC01597504_5_i001_c013"

Treating input CT 67 "ZINC01995283_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 67 "ZINC01995283_1_i001_c001"

Treating input CT 68 "ZINC02143707_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 68 "ZINC02143707_1_i001_c001"

Treating input CT 69 "ZINC02143707_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 69 "ZINC02143707_3_i001_c001"

Treating input CT 70 "ZINC00495332_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 70 "ZINC00495332_1_i001_c001"

Treating input CT 71 "ZINC00495332_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 71 "ZINC00495332_3_i001_c001"

Treating input CT 72 "ZINC00495332_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 72 "ZINC00495332_5_i001_c001"

Treating input CT 73 "ZINC02581904_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 73 "ZINC02581904_1_i001_c001"

Treating input CT 74 "ZINC02581904_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 74 "ZINC02581904_3_i001_c001"

Treating input CT 75 "ZINC02581904_5_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 75 "ZINC02581904_5_i001_c001"

Treating input CT 76 "ZINC02037010_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 76 "ZINC02037010_1_i001_c001"

Treating input CT 77 "ZINC02037010_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 77 "ZINC02037010_3_i001_c001"

Treating input CT 78 "ZINC02037010_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 78 "ZINC02037010_5_i001_c001"

Treating input CT 79 "ZINC02229586_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 79 "ZINC02229586_1_i001_c001"

Treating input CT 80 "ZINC02229586_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 80 "ZINC02229586_1_i001_c002"

Treating input CT 81 "ZINC02229586_1_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 81 "ZINC02229586_1_i001_c003"

Treating input CT 82 "ZINC02229586_1_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 82 "ZINC02229586_1_i001_c004"

Treating input CT 83 "ZINC02229586_1_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 83 "ZINC02229586_1_i001_c005"

Treating input CT 84 "ZINC02229586_1_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 84 "ZINC02229586_1_i001_c006"

Treating input CT 85 "ZINC02229586_1_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 85 "ZINC02229586_1_i001_c007"

Treating input CT 86 "ZINC02229586_1_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 86 "ZINC02229586_1_i001_c008"

Treating input CT 87 "ZINC02229586_1_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 87 "ZINC02229586_1_i001_c009"

Treating input CT 88 "ZINC02229586_1_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 88 "ZINC02229586_1_i001_c010"

Treating input CT 89 "ZINC02229586_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 89 "ZINC02229586_3_i001_c001"

Treating input CT 90 "ZINC02229586_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 90 "ZINC02229586_3_i001_c002"

Treating input CT 91 "ZINC02229586_3_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 91 "ZINC02229586_3_i001_c003"

Treating input CT 92 "ZINC02229586_3_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 92 "ZINC02229586_3_i001_c004"

Treating input CT 93 "ZINC02229586_3_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 93 "ZINC02229586_3_i001_c005"

Treating input CT 94 "ZINC02229586_3_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 94 "ZINC02229586_3_i001_c006"

Treating input CT 95 "ZINC02229586_3_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 95 "ZINC02229586_3_i001_c007"

Treating input CT 96 "ZINC02229586_3_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 96 "ZINC02229586_3_i001_c008"

Treating input CT 97 "ZINC02229586_3_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 97 "ZINC02229586_3_i001_c009"

Treating input CT 98 "ZINC02229586_3_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 98 "ZINC02229586_3_i001_c010"

Treating input CT 99 "ZINC02229586_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 99 "ZINC02229586_5_i001_c001"

Treating input CT 100 "ZINC02229586_5_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 100 "ZINC02229586_5_i001_c002"

Treating input CT 101 "ZINC02229586_5_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 101 "ZINC02229586_5_i001_c003"

Treating input CT 102 "ZINC02229586_5_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 102 "ZINC02229586_5_i001_c004"

Treating input CT 103 "ZINC02229586_5_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 103 "ZINC02229586_5_i001_c005"

Treating input CT 104 "ZINC02229586_5_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 104 "ZINC02229586_5_i001_c006"

Treating input CT 105 "ZINC02229586_5_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 105 "ZINC02229586_5_i001_c007"

Treating input CT 106 "ZINC02229586_5_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 106 "ZINC02229586_5_i001_c008"

Treating input CT 107 "ZINC02229586_5_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 107 "ZINC02229586_5_i001_c009"

Treating input CT 108 "ZINC02229586_5_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 108 "ZINC02229586_5_i001_c010"

Treating input CT 109 "ZINC02229586_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 109 "ZINC02229586_7_i001_c001"

Treating input CT 110 "ZINC02229586_7_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 110 "ZINC02229586_7_i001_c002"

Treating input CT 111 "ZINC02229586_7_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 111 "ZINC02229586_7_i001_c003"

Treating input CT 112 "ZINC02229586_7_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 112 "ZINC02229586_7_i001_c004"

Treating input CT 113 "ZINC02229586_7_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 113 "ZINC02229586_7_i001_c005"

Treating input CT 114 "ZINC02229586_7_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 114 "ZINC02229586_7_i001_c006"

Treating input CT 115 "ZINC02229586_7_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 115 "ZINC02229586_7_i001_c007"

Treating input CT 116 "ZINC02229586_7_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 116 "ZINC02229586_7_i001_c008"

Treating input CT 117 "ZINC02229586_7_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 117 "ZINC02229586_7_i001_c009"

Treating input CT 118 "ZINC02229586_7_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 118 "ZINC02229586_7_i001_c010"

Treating input CT 119 "ZINC02229586_9_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 119 "ZINC02229586_9_i001_c001"

Treating input CT 120 "ZINC02229586_9_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 120 "ZINC02229586_9_i001_c002"

Treating input CT 121 "ZINC02229586_9_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 121 "ZINC02229586_9_i001_c003"

Treating input CT 122 "ZINC02229586_9_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 122 "ZINC02229586_9_i001_c004"

Treating input CT 123 "ZINC02229586_9_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 123 "ZINC02229586_9_i001_c005"

Treating input CT 124 "ZINC02229586_9_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 124 "ZINC02229586_9_i001_c006"

Treating input CT 125 "ZINC02229586_9_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 125 "ZINC02229586_9_i001_c007"

Treating input CT 126 "ZINC02229586_9_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 126 "ZINC02229586_9_i001_c008"

Treating input CT 127 "ZINC02229586_9_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 127 "ZINC02229586_9_i001_c009"

Treating input CT 128 "ZINC02229586_9_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 128 "ZINC02229586_9_i001_c010"

Treating input CT 129 "ZINC02229586_11_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 129 "ZINC02229586_11_i001_c001"

Treating input CT 130 "ZINC02229586_11_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 130 "ZINC02229586_11_i001_c002"

Treating input CT 131 "ZINC02229586_11_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 131 "ZINC02229586_11_i001_c003"

Treating input CT 132 "ZINC02229586_11_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 132 "ZINC02229586_11_i001_c004"

Treating input CT 133 "ZINC02229586_11_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 133 "ZINC02229586_11_i001_c005"

Treating input CT 134 "ZINC02229586_11_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 134 "ZINC02229586_11_i001_c006"

Treating input CT 135 "ZINC02229586_11_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 135 "ZINC02229586_11_i001_c007"

Treating input CT 136 "ZINC02229586_11_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 136 "ZINC02229586_11_i001_c008"

Treating input CT 137 "ZINC02229586_11_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 137 "ZINC02229586_11_i001_c009"

Treating input CT 138 "ZINC02229586_11_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 138 "ZINC02229586_11_i001_c010"

Treating input CT 139 "ZINC02019332_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 139 "ZINC02019332_1_i001_c001"

Treating input CT 140 "ZINC02019332_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 140 "ZINC02019332_3_i001_c001"

Treating input CT 141 "ZINC01597505_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 141 "ZINC01597505_1_i001_c001"

Treating input CT 142 "ZINC01597505_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 142 "ZINC01597505_1_i001_c002"

Treating input CT 143 "ZINC01597505_1_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 143 "ZINC01597505_1_i001_c003"

Treating input CT 144 "ZINC01597505_1_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 144 "ZINC01597505_1_i001_c004"

Treating input CT 145 "ZINC01597505_1_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 145 "ZINC01597505_1_i001_c005"

Treating input CT 146 "ZINC01597505_1_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 146 "ZINC01597505_1_i001_c006"

Treating input CT 147 "ZINC01597505_1_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 147 "ZINC01597505_1_i001_c007"

Treating input CT 148 "ZINC01597505_1_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 148 "ZINC01597505_1_i001_c008"

Treating input CT 149 "ZINC01597505_1_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 149 "ZINC01597505_1_i001_c009"

Treating input CT 150 "ZINC01597505_1_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 150 "ZINC01597505_1_i001_c010"

Treating input CT 151 "ZINC01597505_1_i001_c011"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 151 "ZINC01597505_1_i001_c011"

Treating input CT 152 "ZINC01597505_1_i001_c012"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 152 "ZINC01597505_1_i001_c012"

Treating input CT 153 "ZINC01597505_1_i001_c013"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 153 "ZINC01597505_1_i001_c013"

Treating input CT 154 "ZINC01597505_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 154 "ZINC01597505_3_i001_c001"

Treating input CT 155 "ZINC01597505_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 155 "ZINC01597505_3_i001_c002"

Treating input CT 156 "ZINC01597505_3_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 156 "ZINC01597505_3_i001_c003"

Treating input CT 157 "ZINC01597505_3_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 157 "ZINC01597505_3_i001_c004"

Treating input CT 158 "ZINC01597505_3_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 158 "ZINC01597505_3_i001_c005"

Treating input CT 159 "ZINC01597505_3_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 159 "ZINC01597505_3_i001_c006"

Treating input CT 160 "ZINC01597505_3_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 160 "ZINC01597505_3_i001_c007"

Treating input CT 161 "ZINC01597505_3_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 161 "ZINC01597505_3_i001_c008"

Treating input CT 162 "ZINC01597505_3_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 162 "ZINC01597505_3_i001_c009"

Treating input CT 163 "ZINC01597505_3_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 163 "ZINC01597505_3_i001_c010"

Treating input CT 164 "ZINC01597505_3_i001_c011"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 164 "ZINC01597505_3_i001_c011"

Treating input CT 165 "ZINC01597505_3_i001_c012"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 165 "ZINC01597505_3_i001_c012"

Treating input CT 166 "ZINC01597505_3_i001_c013"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 166 "ZINC01597505_3_i001_c013"

Treating input CT 167 "ZINC02524740_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 167 "ZINC02524740_1_i001_c001"

Treating input CT 168 "ZINC01597505_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 168 "ZINC01597505_5_i001_c001"

Treating input CT 169 "ZINC01597505_5_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 169 "ZINC01597505_5_i001_c002"

Treating input CT 170 "ZINC01597505_5_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 170 "ZINC01597505_5_i001_c003"

Treating input CT 171 "ZINC01597505_5_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 171 "ZINC01597505_5_i001_c004"

Treating input CT 172 "ZINC01597505_5_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 172 "ZINC01597505_5_i001_c005"

Treating input CT 173 "ZINC01597505_5_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 173 "ZINC01597505_5_i001_c006"

Treating input CT 174 "ZINC01597505_5_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 174 "ZINC01597505_5_i001_c007"

Treating input CT 175 "ZINC01597505_5_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 175 "ZINC01597505_5_i001_c008"

Treating input CT 176 "ZINC01597505_5_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 176 "ZINC01597505_5_i001_c009"

Treating input CT 177 "ZINC01597505_5_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 177 "ZINC01597505_5_i001_c010"

Treating input CT 178 "ZINC01597505_5_i001_c011"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 178 "ZINC01597505_5_i001_c011"

Treating input CT 179 "ZINC01597505_5_i001_c012"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 179 "ZINC01597505_5_i001_c012"

Treating input CT 180 "ZINC01597505_5_i001_c013"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 180 "ZINC01597505_5_i001_c013"

Treating input CT 181 "ZINC03106368_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 181 "ZINC03106368_1_i001_c001"

Treating input CT 182 "ZINC02150083_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 182 "ZINC02150083_1_i001_c001"

Treating input CT 183 "ZINC01597518_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 183 "ZINC01597518_1_i001_c001"

Treating input CT 184 "ZINC01597518_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 184 "ZINC01597518_3_i001_c001"

Treating input CT 185 "ZINC01597518_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 185 "ZINC01597518_5_i001_c001"

Treating input CT 186 "ZINC02561303_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 186 "ZINC02561303_1_i001_c001"

Treating input CT 187 "ZINC02561303_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 187 "ZINC02561303_3_i001_c001"

Treating input CT 188 "ZINC02561303_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 188 "ZINC02561303_5_i001_c001"

Treating input CT 189 "ZINC02027006_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 189 "ZINC02027006_1_i001_c001"

Treating input CT 190 "ZINC02027006_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 190 "ZINC02027006_3_i001_c001"

Treating input CT 191 "ZINC02027006_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 191 "ZINC02027006_5_i001_c001"

Treating input CT 192 "ZINC02018991_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 192 "ZINC02018991_1_i001_c001"

Treating input CT 193 "ZINC02018991_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 193 "ZINC02018991_3_i001_c001"

Treating input CT 194 "ZINC02018991_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 194 "ZINC02018991_5_i001_c001"

Treating input CT 195 "ZINC01641028_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 195 "ZINC01641028_1_i001_c001"

Treating input CT 196 "ZINC02524740_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 196 "ZINC02524740_3_i001_c001"

Treating input CT 197 "ZINC02524740_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 197 "ZINC02524740_5_i001_c001"

Treating input CT 198 "ZINC01603178_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 198 "ZINC01603178_1_i001_c001"

Treating input CT 199 "ZINC01603178_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 199 "ZINC01603178_3_i001_c001"

Treating input CT 200 "ZINC01737425_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 200 "ZINC01737425_1_i001_c001"

Treating input CT 201 "ZINC01737425_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 201 "ZINC01737425_3_i001_c001"

Treating input CT 202 "ZINC01737425_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 202 "ZINC01737425_5_i001_c001"

Treating input CT 203 "ZINC01603178_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 203 "ZINC01603178_5_i001_c001"

Treating input CT 204 "ZINC01603178_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 204 "ZINC01603178_7_i001_c001"

Treating input CT 205 "ZINC00537862_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 205 "ZINC00537862_1_i001_c001"

Treating input CT 206 "ZINC00537862_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 206 "ZINC00537862_3_i001_c001"

Treating input CT 207 "ZINC00537862_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 207 "ZINC00537862_5_i001_c001"

Treating input CT 208 "ZINC02015907_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 208 "ZINC02015907_1_i001_c001"

Treating input CT 209 "ZINC02015907_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 209 "ZINC02015907_3_i001_c001"

Treating input CT 210 "ZINC02015907_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 210 "ZINC02015907_5_i001_c001"

Treating input CT 211 "ZINC02039716_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 211 "ZINC02039716_1_i001_c001"

Treating input CT 212 "ZINC02039716_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 212 "ZINC02039716_3_i001_c001"

Treating input CT 213 "ZINC02039716_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 213 "ZINC02039716_5_i001_c001"

Treating input CT 214 "ZINC01995208_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 214 "ZINC01995208_1_i001_c001"

Treating input CT 215 "ZINC01995208_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 215 "ZINC01995208_3_i001_c001"

Treating input CT 216 "ZINC01995208_5_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 216 "ZINC01995208_5_i001_c001"

Treating input CT 217 "ZINC02034696_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 217 "ZINC02034696_1_i001_c001"

Treating input CT 218 "ZINC02034696_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 218 "ZINC02034696_1_i001_c002"

Treating input CT 219 "ZINC02034696_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 219 "ZINC02034696_3_i001_c001"

Treating input CT 220 "ZINC02034696_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 220 "ZINC02034696_3_i001_c002"

Treating input CT 221 "ZINC02034696_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 221 "ZINC02034696_5_i001_c001"

Treating input CT 222 "ZINC02034696_5_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 222 "ZINC02034696_5_i001_c002"

Treating input CT 223 "ZINC00535274_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 223 "ZINC00535274_1_i001_c001"

Treating input CT 224 "ZINC00535274_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 224 "ZINC00535274_1_i001_c002"

Treating input CT 225 "ZINC00535274_1_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 225 "ZINC00535274_1_i001_c003"

Treating input CT 226 "ZINC00535274_1_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 226 "ZINC00535274_1_i001_c004"

Treating input CT 227 "ZINC00535274_1_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 227 "ZINC00535274_1_i001_c005"

Treating input CT 228 "ZINC00535274_1_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 228 "ZINC00535274_1_i001_c006"

Treating input CT 229 "ZINC00535274_1_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 229 "ZINC00535274_1_i001_c007"

Treating input CT 230 "ZINC00535274_1_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 230 "ZINC00535274_1_i001_c008"

Treating input CT 231 "ZINC00535274_1_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 231 "ZINC00535274_1_i001_c009"

Treating input CT 232 "ZINC00535274_1_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 232 "ZINC00535274_1_i001_c010"

Treating input CT 233 "ZINC00535274_1_i001_c011"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 233 "ZINC00535274_1_i001_c011"

Treating input CT 234 "ZINC00535274_1_i001_c012"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 234 "ZINC00535274_1_i001_c012"

Treating input CT 235 "ZINC00535274_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 235 "ZINC00535274_3_i001_c001"

Treating input CT 236 "ZINC00535274_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 236 "ZINC00535274_3_i001_c002"

Treating input CT 237 "ZINC00535274_3_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 237 "ZINC00535274_3_i001_c003"

Treating input CT 238 "ZINC00535274_3_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 238 "ZINC00535274_3_i001_c004"

Treating input CT 239 "ZINC00535274_3_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 239 "ZINC00535274_3_i001_c005"

Treating input CT 240 "ZINC00535274_3_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 240 "ZINC00535274_3_i001_c006"

Treating input CT 241 "ZINC00535274_3_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 241 "ZINC00535274_3_i001_c007"

Treating input CT 242 "ZINC00535274_3_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 242 "ZINC00535274_3_i001_c008"

Treating input CT 243 "ZINC00535274_3_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 243 "ZINC00535274_3_i001_c009"

Treating input CT 244 "ZINC00535274_3_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 244 "ZINC00535274_3_i001_c010"

Treating input CT 245 "ZINC00535274_3_i001_c011"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 245 "ZINC00535274_3_i001_c011"

Treating input CT 246 "ZINC00535274_3_i001_c012"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 246 "ZINC00535274_3_i001_c012"

Treating input CT 247 "ZINC00535274_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 247 "ZINC00535274_5_i001_c001"

Treating input CT 248 "ZINC00535274_5_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 248 "ZINC00535274_5_i001_c002"

Treating input CT 249 "ZINC00535274_5_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 249 "ZINC00535274_5_i001_c003"

Treating input CT 250 "ZINC00535274_5_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 250 "ZINC00535274_5_i001_c004"

Treating input CT 251 "ZINC00535274_5_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 251 "ZINC00535274_5_i001_c005"

Treating input CT 252 "ZINC00535274_5_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 252 "ZINC00535274_5_i001_c006"

Treating input CT 253 "ZINC00535274_5_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 253 "ZINC00535274_5_i001_c007"

Treating input CT 254 "ZINC00535274_5_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 254 "ZINC00535274_5_i001_c008"

Treating input CT 255 "ZINC00535274_5_i001_c009"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 255 "ZINC00535274_5_i001_c009"

Treating input CT 256 "ZINC00535274_5_i001_c010"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 256 "ZINC00535274_5_i001_c010"

Treating input CT 257 "ZINC00535274_5_i001_c011"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 257 "ZINC00535274_5_i001_c011"

Treating input CT 258 "ZINC00535274_5_i001_c012"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 258 "ZINC00535274_5_i001_c012"

Treating input CT 259 "ZINC02009948_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 259 "ZINC02009948_1_i001_c001"

Treating input CT 260 "ZINC02009948_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 260 "ZINC02009948_3_i001_c001"

Treating input CT 261 "ZINC00225809_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 261 "ZINC00225809_1_i001_c001"

Treating input CT 262 "ZINC00225809_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 262 "ZINC00225809_3_i001_c001"

Treating input CT 263 "ZINC02037102_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 263 "ZINC02037102_1_i001_c001"

Treating input CT 264 "ZINC02037102_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 264 "ZINC02037102_3_i001_c001"

Treating input CT 265 "ZINC02037102_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 265 "ZINC02037102_5_i001_c001"

Treating input CT 266 "ZINC00225809_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 266 "ZINC00225809_5_i001_c001"

Treating input CT 267 "ZINC02158884_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 267 "ZINC02158884_1_i001_c001"

Treating input CT 268 "ZINC02158884_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 268 "ZINC02158884_3_i001_c001"

Treating input CT 269 "ZINC02158884_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 269 "ZINC02158884_5_i001_c001"

Treating input CT 270 "ZINC02388210_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 270 "ZINC02388210_1_i001_c001"

Treating input CT 271 "ZINC02388210_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 271 "ZINC02388210_3_i001_c001"

Treating input CT 272 "ZINC01606556_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 272 "ZINC01606556_1_i001_c001"

Treating input CT 273 "ZINC02016457_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 273 "ZINC02016457_1_i001_c001"

Treating input CT 274 "ZINC02016457_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 274 "ZINC02016457_3_i001_c001"

Treating input CT 275 "ZINC01016427_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 275 "ZINC01016427_1_i001_c001"

Treating input CT 276 "ZINC01016427_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 276 "ZINC01016427_3_i001_c001"

Treating input CT 277 "ZINC01606515_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 277 "ZINC01606515_1_i001_c001"

Treating input CT 278 "ZINC01606515_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 278 "ZINC01606515_3_i001_c001"

Treating input CT 279 "ZINC01606515_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 279 "ZINC01606515_5_i001_c001"

Treating input CT 280 "ZINC01016427_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 280 "ZINC01016427_5_i001_c001"

Treating input CT 281 "ZINC01016427_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 281 "ZINC01016427_7_i001_c001"

Treating input CT 282 "ZINC02011556_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 282 "ZINC02011556_1_i001_c001"

Treating input CT 283 "ZINC02011556_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 283 "ZINC02011556_3_i001_c001"

Treating input CT 284 "ZINC02011556_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 284 "ZINC02011556_5_i001_c001"

Treating input CT 285 "ZINC02388210_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 285 "ZINC02388210_5_i001_c001"

Treating input CT 286 "ZINC00159909_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 286 "ZINC00159909_1_i001_c001"

Treating input CT 287 "ZINC00159909_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 287 "ZINC00159909_3_i001_c001"

Treating input CT 288 "ZINC00159909_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 288 "ZINC00159909_5_i001_c001"

Treating input CT 289 "ZINC01853868_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 289 "ZINC01853868_1_i001_c001"

Treating input CT 290 "ZINC01853868_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 290 "ZINC01853868_3_i001_c001"

Treating input CT 291 "ZINC01853868_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 291 "ZINC01853868_5_i001_c001"

Treating input CT 292 "ZINC01853868_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 292 "ZINC01853868_7_i001_c001"

Treating input CT 293 "ZINC01853868_9_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 293 "ZINC01853868_9_i001_c001"

Treating input CT 294 "ZINC01853868_11_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 294 "ZINC01853868_11_i001_c001"

Treating input CT 295 "ZINC02015906_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 295 "ZINC02015906_1_i001_c001"

Treating input CT 296 "ZINC02015906_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 296 "ZINC02015906_3_i001_c001"

Treating input CT 297 "ZINC02015906_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 297 "ZINC02015906_5_i001_c001"

Treating input CT 298 "ZINC00001434_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 298 "ZINC00001434_1_i001_c001"

Treating input CT 299 "ZINC01597514_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 299 "ZINC01597514_1_i001_c001"

Treating input CT 300 "ZINC01597514_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 300 "ZINC01597514_3_i001_c001"

Treating input CT 301 "ZINC01597514_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 301 "ZINC01597514_5_i001_c001"

Treating input CT 302 "ZINC02016458_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 302 "ZINC02016458_1_i001_c001"

Treating input CT 303 "ZINC02149221_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 303 "ZINC02149221_1_i001_c001"

Treating input CT 304 "ZINC02149221_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 304 "ZINC02149221_3_i001_c001"

Treating input CT 305 "ZINC02149221_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 305 "ZINC02149221_5_i001_c001"

Treating input CT 306 "ZINC02016458_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 306 "ZINC02016458_3_i001_c001"

Treating input CT 307 "ZINC02016458_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 307 "ZINC02016458_5_i001_c001"

Treating input CT 308 "ZINC02019331_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 308 "ZINC02019331_1_i001_c001"

Treating input CT 309 "ZINC02019331_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 309 "ZINC02019331_3_i001_c001"

Treating input CT 310 "ZINC01996024_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 310 "ZINC01996024_1_i001_c001"

Treating input CT 311 "ZINC01996024_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 311 "ZINC01996024_3_i001_c001"

Treating input CT 312 "ZINC02565079_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 312 "ZINC02565079_1_i001_c001"

Treating input CT 313 "ZINC02565079_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 313 "ZINC02565079_3_i001_c001"

Treating input CT 314 "ZINC02565079_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 314 "ZINC02565079_5_i001_c001"

Treating input CT 315 "ZINC02555975_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 315 "ZINC02555975_1_i001_c001"

Treating input CT 316 "ZINC02555975_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 316 "ZINC02555975_3_i001_c001"

Treating input CT 317 "ZINC02555975_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 317 "ZINC02555975_5_i001_c001"

Treating input CT 318 "ZINC01589253_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 318 "ZINC01589253_1_i001_c001"

Treating input CT 319 "ZINC01589253_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 319 "ZINC01589253_3_i001_c001"

Treating input CT 320 "ZINC01589253_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 320 "ZINC01589253_5_i001_c001"

Treating input CT 321 "ZINC01606997_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 321 "ZINC01606997_1_i001_c001"

Treating input CT 322 "ZINC01606997_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 322 "ZINC01606997_3_i001_c001"

Treating input CT 323 "ZINC01606997_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 323 "ZINC01606997_5_i001_c001"

Treating input CT 324 "ZINC02382765_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 324 "ZINC02382765_1_i001_c001"

Treating input CT 325 "ZINC02382765_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 325 "ZINC02382765_3_i001_c001"

Treating input CT 326 "ZINC02581906_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 326 "ZINC02581906_1_i001_c001"

Treating input CT 327 "ZINC02581906_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 327 "ZINC02581906_3_i001_c001"

Treating input CT 328 "ZINC02581906_5_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 328 "ZINC02581906_5_i001_c001"

Treating input CT 329 "ZINC01532123_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 329 "ZINC01532123_1_i001_c001"

Treating input CT 330 "ZINC01532123_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 330 "ZINC01532123_3_i001_c001"

Treating input CT 331 "ZINC01532123_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 331 "ZINC01532123_5_i001_c001"

Treating input CT 332 "ZINC01532123_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 332 "ZINC01532123_7_i001_c001"

Treating input CT 333 "ZINC01532123_9_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 333 "ZINC01532123_9_i001_c001"

Treating input CT 334 "ZINC01532123_11_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 334 "ZINC01532123_11_i001_c001"

Treating input CT 335 "ZINC01600092_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 335 "ZINC01600092_1_i001_c001"

Treating input CT 336 "ZINC01621033_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 336 "ZINC01621033_1_i001_c001"

Treating input CT 337 "ZINC01600092_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 337 "ZINC01600092_3_i001_c001"

Treating input CT 338 "ZINC01600092_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 338 "ZINC01600092_5_i001_c001"

Treating input CT 339 "ZINC02516839_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 339 "ZINC02516839_1_i001_c001"

Treating input CT 340 "ZINC02516839_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 340 "ZINC02516839_3_i001_c001"

Treating input CT 341 "ZINC02516839_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 341 "ZINC02516839_5_i001_c001"

Treating input CT 342 "ZINC01600093_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 342 "ZINC01600093_1_i001_c001"

Treating input CT 343 "ZINC02565046_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 343 "ZINC02565046_1_i001_c001"

Treating input CT 344 "ZINC03156938_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 344 "ZINC03156938_1_i001_c001"

Treating input CT 345 "ZINC03156938_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 345 "ZINC03156938_3_i001_c001"

Treating input CT 346 "ZINC03156938_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 346 "ZINC03156938_5_i001_c001"

Treating input CT 347 "ZINC02565046_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 347 "ZINC02565046_3_i001_c001"

Treating input CT 348 "ZINC02565046_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 348 "ZINC02565046_5_i001_c001"

Treating input CT 349 "ZINC02007598_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 349 "ZINC02007598_1_i001_c001"

Treating input CT 350 "ZINC02007598_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 350 "ZINC02007598_3_i001_c001"

Treating input CT 351 "ZINC02019332_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 351 "ZINC02019332_5_i001_c001"

Treating input CT 352 "ZINC02019332_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 352 "ZINC02019332_7_i001_c001"

Treating input CT 353 "ZINC02019332_9_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 353 "ZINC02019332_9_i001_c001"

Treating input CT 354 "ZINC02019332_11_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 354 "ZINC02019332_11_i001_c001"

Treating input CT 355 "ZINC02007598_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 355 "ZINC02007598_5_i001_c001"

Treating input CT 356 "ZINC01532122_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 356 "ZINC01532122_1_i001_c001"

Treating input CT 357 "ZINC01532122_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 357 "ZINC01532122_3_i001_c001"

Treating input CT 358 "ZINC01532122_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 358 "ZINC01532122_5_i001_c001"

Treating input CT 359 "ZINC01532122_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 359 "ZINC01532122_7_i001_c001"

Treating input CT 360 "ZINC01532122_9_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 360 "ZINC01532122_9_i001_c001"

Treating input CT 361 "ZINC01532122_11_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 361 "ZINC01532122_11_i001_c001"

Treating input CT 362 "ZINC01648512_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 362 "ZINC01648512_1_i001_c001"

Treating input CT 363 "ZINC01648512_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 363 "ZINC01648512_1_i001_c002"

Treating input CT 364 "ZINC03164784_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 364 "ZINC03164784_1_i001_c001"

Treating input CT 365 "ZINC03164784_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 365 "ZINC03164784_1_i001_c002"

Treating input CT 366 "ZINC03164784_1_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 366 "ZINC03164784_1_i001_c003"

Treating input CT 367 "ZINC03164784_1_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 367 "ZINC03164784_1_i001_c004"

Treating input CT 368 "ZINC03164784_1_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 368 "ZINC03164784_1_i001_c005"

Treating input CT 369 "ZINC03164784_1_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 369 "ZINC03164784_1_i001_c006"

Treating input CT 370 "ZINC03164784_1_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 370 "ZINC03164784_1_i001_c007"

Treating input CT 371 "ZINC03164784_1_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 371 "ZINC03164784_1_i001_c008"

Treating input CT 372 "ZINC02391337_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 372 "ZINC02391337_1_i001_c001"

Treating input CT 373 "ZINC02391337_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 373 "ZINC02391337_1_i001_c002"

Treating input CT 374 "ZINC02391337_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 374 "ZINC02391337_3_i001_c001"

Treating input CT 375 "ZINC02391337_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 375 "ZINC02391337_3_i001_c002"

Treating input CT 376 "ZINC02391337_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 376 "ZINC02391337_5_i001_c001"

Treating input CT 377 "ZINC02391337_5_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 377 "ZINC02391337_5_i001_c002"

Treating input CT 378 "ZINC01016427_9_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 378 "ZINC01016427_9_i001_c001"

Treating input CT 379 "ZINC01016427_11_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 379 "ZINC01016427_11_i001_c001"

Treating input CT 380 "ZINC02015797_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 380 "ZINC02015797_1_i001_c001"

Treating input CT 381 "ZINC02015797_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 381 "ZINC02015797_3_i001_c001"

Treating input CT 382 "ZINC02015797_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 382 "ZINC02015797_5_i001_c001"

Treating input CT 383 "ZINC02391354_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 383 "ZINC02391354_1_i001_c001"

Treating input CT 384 "ZINC02391354_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 384 "ZINC02391354_3_i001_c001"

Treating input CT 385 "ZINC02039268_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 385 "ZINC02039268_1_i001_c001"

Treating input CT 386 "ZINC02039268_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 386 "ZINC02039268_3_i001_c001"

Treating input CT 387 "ZINC02039268_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 387 "ZINC02039268_5_i001_c001"

Treating input CT 388 "ZINC03243726_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 388 "ZINC03243726_1_i001_c001"

Treating input CT 389 "ZINC03243726_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 389 "ZINC03243726_3_i001_c001"

Treating input CT 390 "ZINC03243726_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 390 "ZINC03243726_5_i001_c001"

Treating input CT 391 "ZINC01605605_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 391 "ZINC01605605_1_i001_c001"

Treating input CT 392 "ZINC01605605_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 392 "ZINC01605605_3_i001_c001"

Treating input CT 393 "ZINC01605605_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 393 "ZINC01605605_5_i001_c001"

Treating input CT 394 "ZINC02516973_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 394 "ZINC02516973_1_i001_c001"

Treating input CT 395 "ZINC02516973_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 395 "ZINC02516973_3_i001_c001"

Treating input CT 396 "ZINC02516973_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 396 "ZINC02516973_5_i001_c001"

Treating input CT 397 "ZINC00159911_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 397 "ZINC00159911_1_i001_c001"

Treating input CT 398 "ZINC00159911_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 398 "ZINC00159911_3_i001_c001"

Treating input CT 399 "ZINC00159911_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 399 "ZINC00159911_5_i001_c001"

Treating input CT 400 "ZINC01269096_1_i001_c001"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 400 "ZINC01269096_1_i001_c001"

Treating input CT 401 "ZINC01269096_1_i001_c002"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 401 "ZINC01269096_1_i001_c002"

Treating input CT 402 "ZINC01269096_1_i001_c003"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 402 "ZINC01269096_1_i001_c003"

Treating input CT 403 "ZINC01269096_1_i001_c004"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 403 "ZINC01269096_1_i001_c004"

Treating input CT 404 "ZINC01269096_1_i001_c005"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 404 "ZINC01269096_1_i001_c005"

Treating input CT 405 "ZINC01269096_1_i001_c006"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 405 "ZINC01269096_1_i001_c006"

Treating input CT 406 "ZINC01269096_1_i001_c007"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 406 "ZINC01269096_1_i001_c007"

Treating input CT 407 "ZINC01269096_1_i001_c008"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 407 "ZINC01269096_1_i001_c008"

Treating input CT 408 "ZINC01269096_1_i001_c009"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 408 "ZINC01269096_1_i001_c009"

Treating input CT 409 "ZINC01269096_1_i001_c010"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 409 "ZINC01269096_1_i001_c010"

Treating input CT 410 "ZINC01269096_1_i001_c011"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 410 "ZINC01269096_1_i001_c011"

Treating input CT 411 "ZINC01269096_1_i001_c012"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 411 "ZINC01269096_1_i001_c012"

Treating input CT 412 "ZINC01269096_1_i001_c013"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 412 "ZINC01269096_1_i001_c013"

Treating input CT 413 "ZINC01269096_1_i001_c014"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 413 "ZINC01269096_1_i001_c014"

Treating input CT 414 "ZINC01269096_1_i001_c015"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 414 "ZINC01269096_1_i001_c015"

Treating input CT 415 "ZINC01269096_3_i001_c001"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 415 "ZINC01269096_3_i001_c001"

Treating input CT 416 "ZINC01269096_3_i001_c002"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 416 "ZINC01269096_3_i001_c002"

Treating input CT 417 "ZINC01269096_3_i001_c003"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 417 "ZINC01269096_3_i001_c003"

Treating input CT 418 "ZINC01269096_3_i001_c004"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 418 "ZINC01269096_3_i001_c004"

Treating input CT 419 "ZINC01269096_3_i001_c005"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 419 "ZINC01269096_3_i001_c005"

Treating input CT 420 "ZINC01269096_3_i001_c006"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 420 "ZINC01269096_3_i001_c006"

Treating input CT 421 "ZINC01269096_3_i001_c007"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 421 "ZINC01269096_3_i001_c007"

Treating input CT 422 "ZINC01269096_3_i001_c008"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 422 "ZINC01269096_3_i001_c008"

Treating input CT 423 "ZINC01269096_3_i001_c009"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 423 "ZINC01269096_3_i001_c009"

Treating input CT 424 "ZINC01269096_3_i001_c010"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 424 "ZINC01269096_3_i001_c010"

Treating input CT 425 "ZINC01269096_3_i001_c011"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 425 "ZINC01269096_3_i001_c011"

Treating input CT 426 "ZINC01269096_3_i001_c012"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 426 "ZINC01269096_3_i001_c012"

Treating input CT 427 "ZINC01269096_3_i001_c013"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 427 "ZINC01269096_3_i001_c013"

Treating input CT 428 "ZINC01269096_3_i001_c014"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 428 "ZINC01269096_3_i001_c014"

Treating input CT 429 "ZINC01269096_3_i001_c015"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 429 "ZINC01269096_3_i001_c015"

Treating input CT 430 "ZINC01269096_5_i001_c001"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 430 "ZINC01269096_5_i001_c001"

Treating input CT 431 "ZINC01269096_5_i001_c002"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 431 "ZINC01269096_5_i001_c002"

Treating input CT 432 "ZINC01269096_5_i001_c003"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 432 "ZINC01269096_5_i001_c003"

Treating input CT 433 "ZINC01269096_5_i001_c004"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 433 "ZINC01269096_5_i001_c004"

Treating input CT 434 "ZINC01269096_5_i001_c005"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 434 "ZINC01269096_5_i001_c005"

Treating input CT 435 "ZINC01269096_5_i001_c006"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 435 "ZINC01269096_5_i001_c006"

Treating input CT 436 "ZINC01269096_5_i001_c007"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 436 "ZINC01269096_5_i001_c007"

Treating input CT 437 "ZINC01269096_5_i001_c008"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 437 "ZINC01269096_5_i001_c008"

Treating input CT 438 "ZINC01269096_5_i001_c009"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 438 "ZINC01269096_5_i001_c009"

Treating input CT 439 "ZINC01269096_5_i001_c010"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 439 "ZINC01269096_5_i001_c010"

Treating input CT 440 "ZINC01269096_5_i001_c011"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 440 "ZINC01269096_5_i001_c011"

Treating input CT 441 "ZINC01269096_5_i001_c012"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 441 "ZINC01269096_5_i001_c012"

Treating input CT 442 "ZINC01269096_5_i001_c013"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 442 "ZINC01269096_5_i001_c013"

Treating input CT 443 "ZINC01269096_5_i001_c014"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 443 "ZINC01269096_5_i001_c014"

Treating input CT 444 "ZINC01269096_5_i001_c015"
  Total candidate ionization centers: 2
  Maximum possible ionization states: 4 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 444 "ZINC01269096_5_i001_c015"

Treating input CT 445 "ZINC01576338_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 445 "ZINC01576338_1_i001_c001"

Treating input CT 446 "ZINC01576338_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 446 "ZINC01576338_3_i001_c001"

Treating input CT 447 "ZINC01576338_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 447 "ZINC01576338_5_i001_c001"

Treating input CT 448 "ZINC02041376_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 448 "ZINC02041376_1_i001_c001"

Treating input CT 449 "ZINC02041376_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 449 "ZINC02041376_3_i001_c001"

Treating input CT 450 "ZINC02041376_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 450 "ZINC02041376_5_i001_c001"

Treating input CT 451 "ZINC03055090_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 451 "ZINC03055090_1_i001_c001"

Treating input CT 452 "ZINC03055090_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 452 "ZINC03055090_3_i001_c001"

Treating input CT 453 "ZINC01851872_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 453 "ZINC01851872_1_i001_c001"

Treating input CT 454 "ZINC01851872_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 454 "ZINC01851872_3_i001_c001"

Treating input CT 455 "ZINC02557701_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 455 "ZINC02557701_1_i001_c001"

Treating input CT 456 "ZINC03055090_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 456 "ZINC03055090_5_i001_c001"

Treating input CT 457 "ZINC01570638_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 457 "ZINC01570638_1_i001_c001"

Treating input CT 458 "ZINC01570638_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 458 "ZINC01570638_3_i001_c001"

Treating input CT 459 "ZINC01570638_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 459 "ZINC01570638_5_i001_c001"

Treating input CT 460 "ZINC01570638_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 460 "ZINC01570638_7_i001_c001"

Treating input CT 461 "ZINC01570638_9_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 461 "ZINC01570638_9_i001_c001"

Treating input CT 462 "ZINC01570638_11_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 462 "ZINC01570638_11_i001_c001"

Treating input CT 463 "ZINC00001309_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 463 "ZINC00001309_1_i001_c001"

Treating input CT 464 "ZINC00001309_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 464 "ZINC00001309_3_i001_c001"

Treating input CT 465 "ZINC00001309_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions i