Run as: ionizer -i 2 -ph 7 -s /raid1/people/joha/PETC/PYTHON/DB/ionizer_tiOH_exclude.ini -i f_p_in_en_ln.mae -l f_p_in_en_ln_ionizer.log -b f_p_in_en_ln_ionizer_bad.mae -o f_p_in_en_ln_ionizer.mae

Ionizable group spec file used:
/raid1/people/joha/PETC/PYTHON/DB/ionizer_tiOH_exclude.ini

Treating input CT 1 "ZINC01715306_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 1 "ZINC01715306_1"

Treating input CT 2 "ZINC01715306_3"
  Total 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 "ZINC01715306_3"

Treating input CT 3 "ZINC03176987_1"
  Total 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 "ZINC03176987_1"

Treating input CT 4 "ZINC03176987_3"
  Total 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 "ZINC03176987_3"

Treating input CT 5 "ZINC03176987_5"
  Total 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 "ZINC03176987_5"

Treating input CT 6 "ZINC03176987_7"
  Total 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 "ZINC03176987_7"

Treating input CT 7 "ZINC03177003_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 7 "ZINC03177003_1"

Treating input CT 8 "ZINC03177003_3"
  Total 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 "ZINC03177003_3"

Treating input CT 9 "ZINC01719972_1"
  Total 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 "ZINC01719972_1"

Treating input CT 10 "ZINC01719972_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 10 "ZINC01719972_3"

Treating input CT 11 "ZINC01719972_5"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 11 "ZINC01719972_5"

Treating input CT 12 "ZINC01719972_7"
  Total 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 "ZINC01719972_7"

Treating input CT 13 "ZINC01730989_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 13 "ZINC01730989_1"

Treating input CT 14 "ZINC01730989_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 14 "ZINC01730989_3"

Treating input CT 15 "ZINC01871769_1"
  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 15 "ZINC01871769_1"

Treating input CT 16 "ZINC01871769_3"
  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 16 "ZINC01871769_3"

Treating input CT 17 "ZINC02770218_1"
  Total 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 "ZINC02770218_1"

Treating input CT 18 "ZINC02770218_3"
  Total 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 "ZINC02770218_3"

Treating input CT 19 "ZINC02567000_1"
  Total 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 "ZINC02567000_1"

Treating input CT 20 "ZINC02567000_3"
  Total 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 "ZINC02567000_3"

Treating input CT 21 "ZINC01779658_1"
  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 21 "ZINC01779658_1"

Treating input CT 22 "ZINC01779658_3"
  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 22 "ZINC01779658_3"

Treating input CT 23 "ZINC01730989_5"
  Total 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 "ZINC01730989_5"

Treating input CT 24 "ZINC01730989_7"
  Total 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 "ZINC01730989_7"

Treating input CT 25 "ZINC01854761_1"
  Total 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 "ZINC01854761_1"

Treating input CT 26 "ZINC01854761_3"
  Total 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 "ZINC01854761_3"

Treating input CT 27 "ZINC02317188_1"
  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 27 "ZINC02317188_1"

Treating input CT 28 "ZINC02317188_3"
  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 28 "ZINC02317188_3"

Treating input CT 29 "ZINC03125963_1"
  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 29 "ZINC03125963_1"

Treating input CT 30 "ZINC03125963_3"
  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 30 "ZINC03125963_3"

Treating input CT 31 "ZINC02256941_1"
  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 31 "ZINC02256941_1"

Treating input CT 32 "ZINC02256941_3"
  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 32 "ZINC02256941_3"

Treating input CT 33 "ZINC03063505_1"
  Total 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 "ZINC03063505_1"

Treating input CT 34 "ZINC03063505_3"
  Total 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 "ZINC03063505_3"

Treating input CT 35 "ZINC02557585_1"
  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 35 "ZINC02557585_1"

Treating input CT 36 "ZINC02557585_3"
  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 36 "ZINC02557585_3"

Treating input CT 37 "ZINC01550109_1"
  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 37 "ZINC01550109_1"

Treating input CT 38 "ZINC03176985_1"
  Total 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 "ZINC03176985_1"

Treating input CT 39 "ZINC03176985_3"
  Total 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 "ZINC03176985_3"

Treating input CT 40 "ZINC03172295_1"
  Total 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 "ZINC03172295_1"

Treating input CT 41 "ZINC03172295_3"
  Total 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 "ZINC03172295_3"

Treating input CT 42 "ZINC02557587_1"
  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 42 "ZINC02557587_1"

Treating input CT 43 "ZINC02557587_3"
  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 43 "ZINC02557587_3"

Treating input CT 44 "ZINC03181330_1"
  Total 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 "ZINC03181330_1"

Treating input CT 45 "ZINC01543425_1"
  Total 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 "ZINC01543425_1"

Treating input CT 46 "ZINC01543425_3"
  Total 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 "ZINC01543425_3"

Treating input CT 47 "ZINC03149623_1"
  Total 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 "ZINC03149623_1"

Treating input CT 48 "ZINC03149623_3"
  Total 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 "ZINC03149623_3"

Treating input CT 49 "ZINC03164318_1"
  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 49 "ZINC03164318_1"

Treating input CT 50 "ZINC03164318_3"
  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 50 "ZINC03164318_3"

Treating input CT 51 "ZINC03177001_1"
  Total 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 "ZINC03177001_1"

Treating input CT 52 "ZINC03177001_3"
  Total 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 "ZINC03177001_3"

Treating input CT 53 "ZINC03177001_5"
  Total 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 "ZINC03177001_5"

Treating input CT 54 "ZINC03177001_7"
  Total 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 "ZINC03177001_7"

Treating input CT 55 "ZINC03063507_1"
  Total 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 "ZINC03063507_1"

Treating input CT 56 "ZINC03063507_3"
  Total 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 "ZINC03063507_3"

Treating input CT 57 "ZINC03176995_1"
  Total 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 "ZINC03176995_1"

Treating input CT 58 "ZINC03176995_3"
  Total 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 "ZINC03176995_3"

Treating input CT 59 "ZINC03207035_1"
  Total 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 "ZINC03207035_1"

Treating input CT 60 "ZINC03207035_3"
  Total 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 "ZINC03207035_3"

Treating input CT 61 "ZINC03207035_5"
  Total 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 "ZINC03207035_5"

Treating input CT 62 "ZINC03207035_7"
  Total 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 "ZINC03207035_7"

Treating input CT 63 "ZINC03176995_5"
  Total 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 "ZINC03176995_5"

Treating input CT 64 "ZINC03176995_7"
  Total 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 "ZINC03176995_7"

Treating input CT 65 "ZINC02809918_1"
  Total 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 "ZINC02809918_1"

Treating input CT 66 "ZINC02809918_3"
  Total 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 "ZINC02809918_3"

Treating input CT 67 "ZINC01621972_1"
  Total 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 "ZINC01621972_1"

Treating input CT 68 "ZINC03207033_1"
  Total 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 "ZINC03207033_1"

Treating input CT 69 "ZINC03207033_3"
  Total 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 "ZINC03207033_3"

Treating input CT 70 "ZINC01533559_1"
  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 70 "ZINC01533559_1"

Treating input CT 71 "ZINC03176992_1"
  Total 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 "ZINC03176992_1"

Treating input CT 72 "ZINC03176992_3"
  Total 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 "ZINC03176992_3"

Treating input CT 73 "ZINC03063502_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 73 "ZINC03063502_1"

Treating input CT 74 "ZINC03063502_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 74 "ZINC03063502_3"

Treating input CT 75 "ZINC02288072_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 75 "ZINC02288072_1"

Treating input CT 76 "ZINC03176992_5"
  Total 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 "ZINC03176992_5"

Treating input CT 77 "ZINC03176992_7"
  Total 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 "ZINC03176992_7"

Treating input CT 78 "ZINC02880459_1"
  Total 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 "ZINC02880459_1"

Treating input CT 79 "ZINC02228162_1"
  Total 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 "ZINC02228162_1"

Treating input CT 80 "ZINC02228162_3"
  Total 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 "ZINC02228162_3"

Treating input CT 81 "ZINC03172227_1"
  Total 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 "ZINC03172227_1"

Treating input CT 82 "ZINC03172227_3"
  Total 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 "ZINC03172227_3"

Treating input CT 83 "ZINC02316878_1"
  Total 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 "ZINC02316878_1"

Treating input CT 84 "ZINC02316878_3"
  Total 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 "ZINC02316878_3"

Treating input CT 85 "ZINC03172243_1"
  Total 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 "ZINC03172243_1"

Treating input CT 86 "ZINC03172243_3"
  Total 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 "ZINC03172243_3"

Treating input CT 87 "ZINC02270556_1"
  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 87 "ZINC02270556_1"

Treating input CT 88 "ZINC02270556_3"
  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 88 "ZINC02270556_3"

Treating input CT 89 "ZINC02316878_5"
  Total 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 "ZINC02316878_5"

Treating input CT 90 "ZINC02316878_7"
  Total 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 "ZINC02316878_7"

Treating input CT 91 "ZINC03177010_1"
  Total 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 "ZINC03177010_1"

Treating input CT 92 "ZINC03177010_3"
  Total 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 "ZINC03177010_3"

Treating input CT 93 "ZINC02303533_1"
  Total 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 "ZINC02303533_1"

Treating input CT 94 "ZINC03177010_5"
  Total 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 "ZINC03177010_5"

Treating input CT 95 "ZINC03177010_7"
  Total 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 "ZINC03177010_7"

Treating input CT 96 "ZINC02257335_1"
  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 96 "ZINC02257335_1"

Treating input CT 97 "ZINC02257335_3"
  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 97 "ZINC02257335_3"

Treating input CT 98 "ZINC03121652_1"
  Total 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 "ZINC03121652_1"

Treating input CT 99 "ZINC03121652_3"
  Total 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 "ZINC03121652_3"

Treating input CT 100 "ZINC03176990_1"
  Total 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 "ZINC03176990_1"

Treating input CT 101 "ZINC03176990_3"
  Total 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 "ZINC03176990_3"

Treating input CT 102 "ZINC03176990_5"
  Total 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 "ZINC03176990_5"

Treating input CT 103 "ZINC03176990_7"
  Total 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 "ZINC03176990_7"

Treating input CT 104 "ZINC02308822_1"
  Total 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 "ZINC02308822_1"

Treating input CT 105 "ZINC02308822_3"
  Total 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 "ZINC02308822_3"

Treating input CT 106 "ZINC02293456_1"
  Total 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 "ZINC02293456_1"

Treating input CT 107 "ZINC01715303_1"
  Total 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 "ZINC01715303_1"

Treating input CT 108 "ZINC01715303_3"
  Total 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 "ZINC01715303_3"

Treating input CT 109 "ZINC01439630_1"
  Total 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 "ZINC01439630_1"

Treating input CT 110 "ZINC03226000_1"
  Total 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 "ZINC03226000_1"

Treating input CT 111 "ZINC03226000_3"
  Total 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 "ZINC03226000_3"

Treating input CT 112 "ZINC03176989_1"
  Total 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 "ZINC03176989_1"

Treating input CT 113 "ZINC03176989_3"
  Total 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 "ZINC03176989_3"

Treating input CT 114 "ZINC03164316_1"
  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 114 "ZINC03164316_1"

Treating input CT 115 "ZINC03164316_3"
  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 115 "ZINC03164316_3"

Treating input CT 116 "ZINC03172231_1"
  Total 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 "ZINC03172231_1"

Treating input CT 117 "ZINC03172231_3"
  Total 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 "ZINC03172231_3"

Treating input CT 118 "ZINC03176989_5"
  Total 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 "ZINC03176989_5"

Treating input CT 119 "ZINC03176989_7"
  Total 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 "ZINC03176989_7"

Treating input CT 120 "ZINC01864590_1"
  Total 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 "ZINC01864590_1"

Treating input CT 121 "ZINC02300340_1"
  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 121 "ZINC02300340_1"

Treating input CT 122 "ZINC02300340_3"
  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 122 "ZINC02300340_3"

Treating input CT 123 "ZINC02345227_1"
  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 123 "ZINC02345227_1"

Treating input CT 124 "ZINC02345227_3"
  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 124 "ZINC02345227_3"

Treating input CT 125 "ZINC03177012_1"
  Total 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 "ZINC03177012_1"

Treating input CT 126 "ZINC03177012_3"
  Total 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 "ZINC03177012_3"

Treating input CT 127 "ZINC03177003_5"
  Total 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 "ZINC03177003_5"

Treating input CT 128 "ZINC03177003_7"
  Total 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 "ZINC03177003_7"

Treating input CT 129 "ZINC03177012_5"
  Total 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 "ZINC03177012_5"

Treating input CT 130 "ZINC03177012_7"
  Total 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 "ZINC03177012_7"

Treating input CT 131 "ZINC02770217_1"
  Total 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 "ZINC02770217_1"

Treating input CT 132 "ZINC02770217_3"
  Total 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 "ZINC02770217_3"

Treating input CT 133 "ZINC01757451_1"
  Total 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 "ZINC01757451_1"

Treating input CT 134 "ZINC03177097_1"
  Total 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 "ZINC03177097_1"

Treating input CT 135 "ZINC03177097_3"
  Total 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 "ZINC03177097_3"

Treating input CT 136 "ZINC01665836_1"
  Total 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 "ZINC01665836_1"

Treating input CT 137 "ZINC01665836_3"
  Total 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 "ZINC01665836_3"

Treating input CT 138 "ZINC02391236_1"
  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 138 "ZINC02391236_1"

Treating input CT 139 "ZINC02391236_3"
  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 139 "ZINC02391236_3"

Treating input CT 140 "ZINC02963818_1"
  Total 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 "ZINC02963818_1"

Treating input CT 141 "ZINC02963818_3"
  Total 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 "ZINC02963818_3"

Treating input CT 142 "ZINC03172291_1"
  Total 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 "ZINC03172291_1"

Treating input CT 143 "ZINC03172291_3"
  Total 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 "ZINC03172291_3"

Treating input CT 144 "ZINC02522552_1"
  Total 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 "ZINC02522552_1"

Treating input CT 145 "ZINC02963818_5"
  Total 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 "ZINC02963818_5"

Treating input CT 146 "ZINC02963818_7"
  Total 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 "ZINC02963818_7"

Treating input CT 147 "ZINC01550106_1"
  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 147 "ZINC01550106_1"

Treating input CT 148 "ZINC02566999_1"
  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 148 "ZINC02566999_1"

Treating input CT 149 "ZINC02566999_3"
  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 149 "ZINC02566999_3"

Treating input CT 150 "ZINC01445016_1"
  Total 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 "ZINC01445016_1"

Treating input CT 151 "ZINC03176999_1"
  Total 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 "ZINC03176999_1"

Treating input CT 152 "ZINC03176999_3"
  Total 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 "ZINC03176999_3"

Treating input CT 153 "ZINC02009975_1"
  Total 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 "ZINC02009975_1"

Treating input CT 154 "ZINC02009975_3"
  Total 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 "ZINC02009975_3"

Treating input CT 155 "ZINC02009975_5"
  Total 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 "ZINC02009975_5"

Treating input CT 156 "ZINC02009975_7"
  Total 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 "ZINC02009975_7"

Treating input CT 157 "ZINC02019271_1"
  Total 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 "ZINC02019271_1"

Treating input CT 158 "ZINC02014279_1"
  Total 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 "ZINC02014279_1"

Treating input CT 159 "ZINC02014279_3"
  Total 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 "ZINC02014279_3"

Treating input CT 160 "ZINC01910226_1"
  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 160 "ZINC01910226_1"

Treating input CT 161 "ZINC02014279_5"
  Total 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 "ZINC02014279_5"

Treating input CT 162 "ZINC02014279_7"
  Total 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 "ZINC02014279_7"

Treating input CT 163 "ZINC01715304_1"
  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 163 "ZINC01715304_1"

Treating input CT 164 "ZINC01715304_3"
  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 164 "ZINC01715304_3"

Treating input CT 165 "ZINC03149624_1"
  Total 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 "ZINC03149624_1"

Treating input CT 166 "ZINC03149624_3"
  Total 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 "ZINC03149624_3"

Treating input CT 167 "ZINC01550105_1"
  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 167 "ZINC01550105_1"

Treating input CT 168 "ZINC03164941_1"
  Total 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 "ZINC03164941_1"

Treating input CT 169 "ZINC03164941_3"
  Total 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 "ZINC03164941_3"

Treating input CT 170 "ZINC02009974_1"
  Total 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 "ZINC02009974_1"

Treating input CT 171 "ZINC02009974_3"
  Total 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 "ZINC02009974_3"

Treating input CT 172 "ZINC02009974_5"
  Total 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 "ZINC02009974_5"

Treating input CT 173 "ZINC02009974_7"
  Total 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 "ZINC02009974_7"

Treating input CT 174 "ZINC03176994_1"
  Total 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 "ZINC03176994_1"

Treating input CT 175 "ZINC03176994_3"
  Total 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 "ZINC03176994_3"

Treating input CT 176 "ZINC03176994_5"
  Total 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 "ZINC03176994_5"

Treating input CT 177 "ZINC03176994_7"
  Total 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 "ZINC03176994_7"

Treating input CT 178 "ZINC01543429_1"
  Total 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 "ZINC01543429_1"

Treating input CT 179 "ZINC01543429_3"
  Total 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 "ZINC01543429_3"

Treating input CT 180 "ZINC02355196_1"
  Total 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 "ZINC02355196_1"

Treating input CT 181 "ZINC01546339_1"
  Total 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 "ZINC01546339_1"

Treating input CT 182 "ZINC03166460_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 182 "ZINC03166460_1"

Treating input CT 183 "ZINC03166460_3"
  Total 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 "ZINC03166460_3"

Treating input CT 184 "ZINC02557606_1"
  Total 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 "ZINC02557606_1"

Treating input CT 185 "ZINC02557606_3"
  Total 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 "ZINC02557606_3"

Treating input CT 186 "ZINC03177068_1"
  Total 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 "ZINC03177068_1"

Treating input CT 187 "ZINC01851537_1"
  Total 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 "ZINC01851537_1"

Treating input CT 188 "ZINC01719974_1"
  Total 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 "ZINC01719974_1"

Treating input CT 189 "ZINC01719974_3"
  Total 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 "ZINC01719974_3"

Treating input CT 190 "ZINC02274850_1"
  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 190 "ZINC02274850_1"

Treating input CT 191 "ZINC02274850_3"
  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 191 "ZINC02274850_3"

Treating input CT 192 "ZINC01719974_5"
  Total 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 "ZINC01719974_5"

Treating input CT 193 "ZINC01719974_7"
  Total 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 "ZINC01719974_7"

Treating input CT 194 "ZINC03172229_1"
  Total 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 "ZINC03172229_1"

Treating input CT 195 "ZINC03172229_3"
  Total 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 "ZINC03172229_3"

Treating input CT 196 "ZINC02270557_1"
  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 196 "ZINC02270557_1"

Treating input CT 197 "ZINC02270557_3"
  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 197 "ZINC02270557_3"

Treating input CT 198 "ZINC02022307_1"
  Total 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 "ZINC02022307_1"

Treating input CT 199 "ZINC02022307_3"
  Total 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 "ZINC02022307_3"

Treating input CT 200 "ZINC01728619_1"
  Total 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 "ZINC01728619_1"

Treating input CT 201 "ZINC02727382_1"
  Total 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 "ZINC02727382_1"

Treating input CT 202 "ZINC02727382_3"
  Total 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 "ZINC02727382_3"

Treating input CT 203 "ZINC02237818_1"
  Total 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 "ZINC02237818_1"

Treating input CT 204 "ZINC02557604_1"
  Total 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 "ZINC02557604_1"

Treating input CT 205 "ZINC02557604_3"
  Total 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 "ZINC02557604_3"

Treating input CT 206 "ZINC02379597_1"
  Total 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 "ZINC02379597_1"

Treating input CT 207 "ZINC02379597_3"
  Total 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 "ZINC02379597_3"

Treating input CT 208 "ZINC02300339_1"
  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 208 "ZINC02300339_1"

Treating input CT 209 "ZINC02300339_3"
  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 209 "ZINC02300339_3"

Treating input CT 210 "ZINC01697684_1"
  Total 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 "ZINC01697684_1"

Treating input CT 211 "ZINC01697684_3"
  Total 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 "ZINC01697684_3"

Treating input CT 212 "ZINC03226002_1"
  Total 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 "ZINC03226002_1"

Treating input CT 213 "ZINC01543428_1"
  Total 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 "ZINC01543428_1"

Treating input CT 214 "ZINC01543428_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 214 "ZINC01543428_3"

Treating input CT 215 "ZINC02180546_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 215 "ZINC02180546_1"

Treating input CT 216 "ZINC02180546_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 216 "ZINC02180546_3"

Treating input CT 217 "ZINC03176999_5"
  Total 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 "ZINC03176999_5"

Treating input CT 218 "ZINC03176999_7"
  Total 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 "ZINC03176999_7"

Treating input CT 219 "ZINC01603233_1"
  Total 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 "ZINC01603233_1"

Treating input CT 220 "ZINC01603233_3"
  Total 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 "ZINC01603233_3"

Treating input CT 221 "ZINC01538361_1"
  Total 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 "ZINC01538361_1"

Treating input CT 222 "ZINC01538361_3"
  Total 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 "ZINC01538361_3"

Treating input CT 223 "ZINC03149625_1"
  Total 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 "ZINC03149625_1"

Treating input CT 224 "ZINC03149625_3"
  Total 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 "ZINC03149625_3"

Treating input CT 225 "ZINC03172241_1"
  Total 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 "ZINC03172241_1"

Treating input CT 226 "ZINC03172241_3"
  Total 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 "ZINC03172241_3"

Treating input CT 227 "ZINC02015924_1"
  Total 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 "ZINC02015924_1"

Treating input CT 228 "ZINC02015924_3"
  Total 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 "ZINC02015924_3"

Treating input CT 229 "ZINC03149623_5"
  Total 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 "ZINC03149623_5"

Treating input CT 230 "ZINC03149623_7"
  Total 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 "ZINC03149623_7"

Treating input CT 231 "ZINC03166455_1"
  Total 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 "ZINC03166455_1"

Treating input CT 232 "ZINC03166455_3"
  Total 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 "ZINC03166455_3"

Treating input CT 233 "ZINC01565401_1"
  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 233 "ZINC01565401_1"

Treating input CT 234 "ZINC01565401_3"
  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 234 "ZINC01565401_3"

Treating input CT 235 "ZINC01550110_1"
  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 235 "ZINC01550110_1"

Treating input CT 236 "ZINC02216215_1"
  Total 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 "ZINC02216215_1"

Treating input CT 237 "ZINC01603232_1"
  Total 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 "ZINC01603232_1"

Treating input CT 238 "ZINC01603232_3"
  Total 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 "ZINC01603232_3"

Treating input CT 239 "ZINC03149625_5"
  Total 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 "ZINC03149625_5"

Treating input CT 240 "ZINC03149625_7"
  Total 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 "ZINC03149625_7"

Treating input CT 241 "ZINC02317129_1"
  Total 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 "ZINC02317129_1"

Treating input CT 242 "ZINC02317129_3"
  Total 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 "ZINC02317129_3"

Treating input CT 243 "ZINC03177008_1"
  Total 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 "ZINC03177008_1"

Treating input CT 244 "ZINC03177008_3"
  Total 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 "ZINC03177008_3"

Treating input CT 245 "ZINC02860285_1"
  Total 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 "ZINC02860285_1"

Treating input CT 246 "ZINC02860285_3"
  Total 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 "ZINC02860285_3"

Treating input CT 247 "ZINC03177008_5"
  Total 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 "ZINC03177008_5"

Treating input CT 248 "ZINC03177008_7"
  Total 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 "ZINC03177008_7"

Treating input CT 249 "ZINC03181309_1"
  Total 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 "ZINC03181309_1"

Treating input CT 250 "ZINC01823243_1"
  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 250 "ZINC01823243_1"

Treating input CT 251 "ZINC01823243_3"
  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 251 "ZINC01823243_3"

Treating input CT 252 "ZINC01603464_1"
  Total 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 "ZINC01603464_1"

Treating input CT 253 "ZINC01603464_3"
  Total 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 "ZINC01603464_3"

Treating input CT 254 "ZINC01550107_1"
  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 254 "ZINC01550107_1"

Treating input CT 255 "ZINC02248736_1"
  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 255 "ZINC02248736_1"

Treating input CT 256 "ZINC01715333_1"
  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 256 "ZINC01715333_1"

Treating input CT 257 "ZINC01715333_3"
  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 257 "ZINC01715333_3"

Treating input CT 258 "ZINC02508344_1"
  Total 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 "ZINC02508344_1"

Treating input CT 259 "ZINC02508344_3"
  Total 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 "ZINC02508344_3"

Treating input CT 260 "ZINC03177097_5"
  Total 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 "ZINC03177097_5"

Treating input CT 261 "ZINC03177097_7"
  Total 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 "ZINC03177097_7"

Treating input CT 262 "ZINC02006875_1"
  Total 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 "ZINC02006875_1"

Treating input CT 263 "ZINC02006875_3"
  Total 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 "ZINC02006875_3"

Treating input CT 264 "ZINC03106169_1"
  Total 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 "ZINC03106169_1"

Treating input CT 265 "ZINC01730984_1"
  Total 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 "ZINC01730984_1"

Treating input CT 266 "ZINC01730984_3"
  Total 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 "ZINC01730984_3"

Treating input CT 267 "ZINC01596969_1"
  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 267 "ZINC01596969_1"

Treating input CT 268 "ZINC01596969_3"
  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 268 "ZINC01596969_3"

Treating input CT 269 "ZINC01234530_1"
  Total 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 "ZINC01234530_1"

Treating input CT 270 "ZINC02300342_1"
  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 270 "ZINC02300342_1"

Treating input CT 271 "ZINC02300342_3"
  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 271 "ZINC02300342_3"

Treating input CT 272 "ZINC01533557_1"
  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 272 "ZINC01533557_1"

Treating input CT 273 "ZINC01533557_3"
  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 273 "ZINC01533557_3"

Treating input CT 274 "ZINC02003713_1"
  Total 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 "ZINC02003713_1"

Treating input CT 275 "ZINC02274851_1"
  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 275 "ZINC02274851_1"

Treating input CT 276 "ZINC02274851_3"
  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 276 "ZINC02274851_3"

Treating input CT 277 "ZINC01653812_1"
  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 277 "ZINC01653812_1"

Treating input CT 278 "ZINC01653812_3"
  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 278 "ZINC01653812_3"

Treating input CT 279 "ZINC02963820_1"
  Total 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 "ZINC02963820_1"

Treating input CT 280 "ZINC02963820_3"
  Total 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 "ZINC02963820_3"

Treating input CT 281 "ZINC03218412_1"
  Total 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 "ZINC03218412_1"

Treating input CT 282 "ZINC03218412_3"
  Total 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 "ZINC03218412_3"

Treating input CT 283 "ZINC03181315_1"
  Total 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 "ZINC03181315_1"

Treating input CT 284 "ZINC03218413_1"
  Total 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 "ZINC03218413_1"

Treating input CT 285 "ZINC03218413_3"
  Total 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 "ZINC03218413_3"

Treating input CT 286 "ZINC03218413_5"
  Total 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 "ZINC03218413_5"

Treating input CT 287 "ZINC03218413_7"
  Total 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 "ZINC03218413_7"

Treating input CT 288 "ZINC02256940_1"
  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 288 "ZINC02256940_1"

Treating input CT 289 "ZINC02256940_3"
  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 289 "ZINC02256940_3"

Treating input CT 290 "ZINC03177009_1"
  Total 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 "ZINC03177009_1"

Treating input CT 291 "ZINC03177009_3"
  Total 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 "ZINC03177009_3"

Treating input CT 292 "ZINC03177009_5"
  Total 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 "ZINC03177009_5"

Treating input CT 293 "ZINC03177009_7"
  Total 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 "ZINC03177009_7"

Treating input CT 294 "ZINC01643468_1"
  Total 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 "ZINC01643468_1"

Treating input CT 295 "ZINC01643468_3"
  Total 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 "ZINC01643468_3"

Treating input CT 296 "ZINC02379598_1"
  Total 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 "ZINC02379598_1"

Treating input CT 297 "ZINC02379598_3"
  Total 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 "ZINC02379598_3"

Treating input CT 298 "ZINC01621981_1"
  Total 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 "ZINC01621981_1"

Treating input CT 299 "ZINC01621981_3"
  Total 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 "ZINC01621981_3"

Treating input CT 300 "ZINC01863957_1"
  Total 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 "ZINC01863957_1"

Treating input CT 301 "ZINC01845539_1"
  Total 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 "ZINC01845539_1"

Treating input CT 302 "ZINC02569597_1"
  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 302 "ZINC02569597_1"

Treating input CT 303 "ZINC02569597_3"
  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 303 "ZINC02569597_3"

Treating input CT 304 "ZINC03177004_1"
  Total 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 "ZINC03177004_1"

Treating input CT 305 "ZINC03177004_3"
  Total 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 "ZINC03177004_3"

Treating input CT 306 "ZINC03125964_1"
  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 306 "ZINC03125964_1"

Treating input CT 307 "ZINC03125964_3"
  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 307 "ZINC03125964_3"

Treating input CT 308 "ZINC01719954_1"
  Total 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 "ZINC01719954_1"

Treating input CT 309 "ZINC01719954_3"
  Total 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 "ZINC01719954_3"

Treating input CT 310 "ZINC01719954_5"
  Total 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 "ZINC01719954_5"

Treating input CT 311 "ZINC01719954_7"
  Total 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 "ZINC01719954_7"

Treating input CT 312 "ZINC02036471_1"
  Total 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 "ZINC02036471_1"

Treating input CT 313 "ZINC02036471_3"
  Total 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 "ZINC02036471_3"

Treating input CT 314 "ZINC02316879_1"
  Total 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 "ZINC02316879_1"

Treating input CT 315 "ZINC02316879_3"
  Total 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 "ZINC02316879_3"

Treating input CT 316 "ZINC02316879_5"
  Total 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 "ZINC02316879_5"

Treating input CT 317 "ZINC02316879_7"
  Total 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 "ZINC02316879_7"

Treating input CT 318 "ZINC02963820_5"
  Total 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 "ZINC02963820_5"

Treating input CT 319 "ZINC02963820_7"
  Total 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 "ZINC02963820_7"

Treating input CT 320 "ZINC02303506_1"
  Total 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 "ZINC02303506_1"

Treating input CT 321 "ZINC01730984_5"
  Total 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 "ZINC01730984_5"

Treating input CT 322 "ZINC01730984_7"
  Total 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 "ZINC01730984_7"

Treating input CT 323 "ZINC03177096_1"
  Total 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 "ZINC03177096_1"

Treating input CT 324 "ZINC03177096_3"
  Total 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 "ZINC03177096_3"

Treating input CT 325 "ZINC01543423_1"
  Total 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 "ZINC01543423_1"

Treating input CT 326 "ZINC01543423_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 326 "ZINC01543423_3"

Treating input CT 327 "ZINC01715305_1"
  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 "ZINC01715305_1"

Treating input CT 328 "ZINC01715305_3"
  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 "ZINC01715305_3"

Treating input CT 329 "ZINC01603464_5"
  Total 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 "ZINC01603464_5"

Treating input CT 330 "ZINC01603464_7"
  Total 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 "ZINC01603464_7"

Treating input CT 331 "ZINC03177004_5"
  Total 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 "ZINC03177004_5"

Treating input CT 332 "ZINC03177004_7"
  Total 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 "ZINC03177004_7"

Treating input CT 333 "ZINC01574112_1"
  Total 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 "ZINC01574112_1"

Treating input CT 334 "ZINC01574112_3"
  Total 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 "ZINC01574112_3"

Treating input CT 335 "ZINC02164568_1"
  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 335 "ZINC02164568_1"

Treating input CT 336 "ZINC02164568_3"
  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 336 "ZINC02164568_3"

Treating input CT 337 "ZINC01779663_1"
  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 337 "ZINC01779663_1"

Treating input CT 338 "ZINC01779663_3"
  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 338 "ZINC01779663_3"

Treating input CT 339 "ZINC01839542_1"
  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 339 "ZINC01839542_1"

Treating input CT 340 "ZINC01839542_3"
  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 340 "ZINC01839542_3"

Treating input CT 341 "ZINC03172273_1"
  Total 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 "ZINC03172273_1"

Treating input CT 342 "ZINC03172273_3"
  Total 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 "ZINC03172273_3"

Treating input CT 343 "ZINC02180548_1"
  Total 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 "ZINC02180548_1"

Treating input CT 344 "ZINC02180548_3"
  Total 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 "ZINC02180548_3"

Treating input CT 345 "ZINC02345226_1"
  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 345 "ZINC02345226_1"

Treating input CT 346 "ZINC02345226_3"
  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 346 "ZINC02345226_3"

Treating input CT 347 "ZINC01737310_1"
  Total 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 "ZINC01737310_1"

Treating input CT 348 "ZINC01737310_3"
  Total 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 "ZINC01737310_3"

Treating input CT 349 "ZINC03149624_5"
  Total 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 "ZINC03149624_5"

Treating input CT 350 "ZINC03149624_7"
  Total 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 "ZINC03149624_7"

Treating input CT 351 "ZINC01550108_1"
  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 351 "ZINC01550108_1"

Treating input CT 352 "ZINC02308822_5"
  Total 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 "ZINC02308822_5"

Treating input CT 353 "ZINC02308822_7"
  Total 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 "ZINC02308822_7"

Treating input CT 354 "ZINC01533557_5"
  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 354 "ZINC01533557_5"

Treating input CT 355 "ZINC01533557_7"
  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 355 "ZINC01533557_7"

Treating input CT 356 "ZINC01730988_1"
  Total 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 "ZINC01730988_1"

Treating input CT 357 "ZINC01730988_3"
  Total 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 "ZINC01730988_3"

Treating input CT 358 "ZINC03193289_1"
  Total 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 "ZINC03193289_1"

Treating input CT 359 "ZINC03193289_3"
  Total 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 "ZINC03193289_3"

Treating input CT 360 "ZINC02036471_5"
  Total 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 "ZINC02036471_5"

Treating input CT 361 "ZINC02036471_7"
  Total 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 "ZINC02036471_7"

Treating input CT 362 "ZINC01730988_5"
  Total 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 "ZINC01730988_5"

Treating input CT 363 "ZINC01730988_7"
  Total 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 "ZINC01730988_7"

Treating input CT 364 "ZINC01737519_1"
  Total 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 "ZINC01737519_1"

Treating input CT 365 "ZINC01737519_3"
  Total 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 "ZINC01737519_3"

Treating input CT 366 "ZINC03166456_1"
  Total 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 "ZINC03166456_1"

Treating input CT 367 "ZINC03166456_3"
  Total 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 "ZINC03166456_3"

Treating input CT 368 "ZINC01550233_1"
  Total 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 "ZINC01550233_1"

Treating input CT 369 "ZINC01550233_3"
  Total 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 "ZINC01550233_3"

Treating input CT 370 "ZINC02317189_1"
  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 370 "ZINC02317189_1"

Treating input CT 371 "ZINC02317189_3"
  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 371 "ZINC02317189_3"

Treating input CT 372 "ZINC01719923_1"
  Total 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 "ZINC01719923_1"

Treating input CT 373 "ZINC01719923_3"
  Total 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 "ZINC01719923_3"

Treating input CT 374 "ZINC01550231_1"
  Total 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 "ZINC01550231_1"

Treating input CT 375 "ZINC01550231_3"
  Total 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 "ZINC01550231_3"

Treating input CT 376 "ZINC01719923_5"
  Total 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 "ZINC01719923_5"

Treating input CT 377 "ZINC01719923_7"
  Total 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 "ZINC01719923_7"

Treating input CT 378 "ZINC02022307_5"
  Total 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 "ZINC02022307_5"

Treating input CT 379 "ZINC02022307_7"
  Total 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 "ZINC02022307_7"

Treating input CT 380 "ZINC02305594_1"
  Total 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 "ZINC02305594_1"

Treating input CT 381 "ZINC01854760_1"
  Total 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 "ZINC01854760_1"

Treating input CT 382 "ZINC01854760_3"
  Total 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 "ZINC01854760_3"

Treating input CT 383 "ZINC03164323_1"
  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 383 "ZINC03164323_1"

Treating input CT 384 "ZINC03164323_3"
  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 384 "ZINC03164323_3"

Treating input CT 385 "ZINC02507347_1"
  Total 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 "ZINC02507347_1"

Treating input CT 386 "ZINC02507347_3"
  Total 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 "ZINC02507347_3"

Treating input CT 387 "ZINC03149622_1"
  Total 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 "ZINC03149622_1"

Treating input CT 388 "ZINC03149622_3"
  Total 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 "ZINC03149622_3"

Treating input CT 389 "ZINC03121653_1"
  Total 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 "ZINC03121653_1"

Treating input CT 390 "ZINC03121653_3"
  Total 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 "ZINC03121653_3"

Treating input CT 391 "ZINC02507349_1"
  Total 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 "ZINC02507349_1"

Treating input CT 392 "ZINC02507349_3"
  Total 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 "ZINC02507349_3"

Treating input CT 393 "ZINC01543426_1"
  Total 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 "ZINC01543426_1"

Treating input CT 394 "ZINC01543426_3"
  Total 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 "ZINC01543426_3"

Treating input CT 395 "ZINC03164321_1"
  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 395 "ZINC03164321_1"

Treating input CT 396 "ZINC03164321_3"
  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 396 "ZINC03164321_3"

Treating input CT 397 "ZINC02306635_1"
  Total 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 "ZINC02306635_1"

Treating input CT 398 "ZINC03172293_1"
  Total 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 "ZINC03172293_1"

Treating input CT 399 "ZINC03172293_3"
  Total 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 "ZINC03172293_3"

Treating input CT 400 "ZINC01603154_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 400 "ZINC01603154_1"

Treating input CT 401 "ZINC01603154_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 401 "ZINC01603154_3"

Treating input CT 402 "ZINC02022739_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 402 "ZINC02022739_1"

Treating input CT 403 "ZINC01439629_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 403 "ZINC01439629_1"

Treating input CT 404 "ZINC01543427_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 404 "ZINC01543427_1"

Treating input CT 405 "ZINC01543427_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 405 "ZINC01543427_3"

Treating input CT 406 "ZINC01603154_5"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 406 "ZINC01603154_5"

Treating input CT 407 "ZINC01603154_7"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 407 "ZINC01603154_7"

Treating input CT 408 "ZINC02180547_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 408 "ZINC02180547_1"

Treating input CT 409 "ZINC02180547_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 409 "ZINC02180547_3"

Treating input CT 410 "ZINC02267610_1"
  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 410 "ZINC02267610_1"

Treating input CT 411 "ZINC02267610_3"
  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 411 "ZINC02267610_3"

Treating input CT 412 "ZINC02809856_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 412 "ZINC02809856_1"

Treating input CT 413 "ZINC02257061_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 413 "ZINC02257061_1"

Treating input CT 414 "ZINC02257061_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 414 "ZINC02257061_3"

Treating input CT 415 "ZINC01550232_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 415 "ZINC01550232_1"

Treating input CT 416 "ZINC01550232_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 416 "ZINC01550232_3"

Treating input CT 417 "ZINC03218412_5"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 417 "ZINC03218412_5"

Treating input CT 418 "ZINC03218412_7"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 418 "ZINC03218412_7"

Treating input CT 419 "ZINC02164565_1"
  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 419 "ZINC02164565_1"

Treating input CT 420 "ZINC02164565_3"
  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 420 "ZINC02164565_3"

Treating input CT 421 "ZINC01728620_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 421 "ZINC01728620_1"

Treating input CT 422 "ZINC03207033_5"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 422 "ZINC03207033_5"

Treating input CT 423 "ZINC03207033_7"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 423 "ZINC03207033_7"

Treating input CT 424 "ZINC03226001_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 424 "ZINC03226001_1"

Treating input CT 425 "ZINC03226001_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 425 "ZINC03226001_3"

Treating input CT 426 "ZINC00275478_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 426 "ZINC00275478_1"

Treating input CT 427 "ZINC01871772_1"
  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 427 "ZINC01871772_1"

Treating input CT 428 "ZINC01871772_3"
  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 428 "ZINC01871772_3"

Treating input CT 429 "ZINC02308823_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 429 "ZINC02308823_1"

Treating input CT 430 "ZINC02308823_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 430 "ZINC02308823_3"

Treating input CT 431 "ZINC02015924_5"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 431 "ZINC02015924_5"

Treating input CT 432 "ZINC02015924_7"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 432 "ZINC02015924_7"

Treating input CT 433 "ZINC03185457_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 433 "ZINC03185457_1"

Treating input CT 434 "ZINC03185457_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 434 "ZINC03185457_3"

Treating input CT 435 "ZINC02308823_5"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 435 "ZINC02308823_5"

Treating input CT 436 "ZINC02308823_7"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 436 "ZINC02308823_7"

Treating input CT 437 "ZINC02014280_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 437 "ZINC02014280_1"

Treating input CT 438 "ZINC02014280_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 438 "ZINC02014280_3"

Treating input CT 439 "ZINC03013865_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 439 "ZINC03013865_1"

Treating input CT 440 "ZINC02014280_5"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 440 "ZINC02014280_5"

Treating input CT 441 "ZINC02014280_7"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 441 "ZINC02014280_7"

Treating input CT 442 "ZINC02986738_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 442 "ZINC02986738_1"

Treating input CT 443 "ZINC02577334_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 443 "ZINC02577334_1"

Treating input CT 444 "ZINC02267611_1"
  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 444 "ZINC02267611_1"

Treating input CT 445 "ZINC02267611_3"
  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 445 "ZINC02267611_3"

Treating input CT 446 "ZINC01603570_1"
  Total 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 "ZINC01603570_1"

Treating input CT 447 "ZINC01603570_3"
  Total 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 "ZINC01603570_3"

Treating input CT 448 "ZINC01550104_1"
  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 448 "ZINC01550104_1"

Treating input CT 449 "ZINC03181311_1"
  Total 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 "ZINC03181311_1"

Treating input CT 450 "ZINC01543424_1"
  Total 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 "ZINC01543424_1"

Treating input CT 451 "ZINC01543424_3"
  Total 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 "ZINC01543424_3"

Treating input CT 452 "ZINC03149622_5"
  Total 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 "ZINC03149622_5"

Treating input CT 453 "ZINC03149622_7"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 453 "ZINC03149622_7"

Treating input CT 454 "ZINC02015923_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 454 "ZINC02015923_1"

Treating input CT 455 "ZINC02015923_3"
  Total 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 "ZINC02015923_3"

Treating input CT 456 "ZINC01724078_1"
  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 456 "ZINC01724078_1"

Treating input CT 457 "ZINC01736850_1"
  Total 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 "ZINC01736850_1"

Treating input CT 458 "ZINC02164591_1"
  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 458 "ZINC02164591_1"

Treating input CT 459 "ZINC02164591_3"
  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 459 "ZINC02164591_3"

Treating input CT 460 "ZINC01720031_1"
  Total 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 "ZINC01720031_1"

Treating input CT 461 "ZINC01720031_3"
  Total 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 "ZINC01720031_3"

Treating input CT 462 "ZINC03086395_1"
  Total 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 "ZINC03086395_1"

Treating input CT 463 "ZINC03086395_3"
  Total 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 "ZINC03086395_3"

Treating input CT 464 "ZINC03176997_1"
  Total 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 "ZINC03176997_1"

Treating input CT 465 "ZINC03176997_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 465 "ZINC03176997_3"

Treating input CT 466 "ZINC03176997_5"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 466 "ZINC03176997_5"

Treating input CT 467 "ZINC03176997_7"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 467 "ZINC03176997_7"

Treating input CT 468 "ZINC03193288_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 468 "ZINC03193288_1"

Treating input CT 469 "ZINC03193288_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 469 "ZINC03193288_3"

Treating input CT 470 "ZINC01605846_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 470 "ZINC01605846_1"

Treating input CT 471 "ZINC01605846_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 471 "ZINC01605846_3"

Treating input CT 472 "ZINC01605846_5"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 472 "ZINC01605846_5"

Treating input CT 473 "ZINC01605846_7"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 473 "ZINC01605846_7"

Treating input CT 474 "ZINC02770154_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 474 "ZINC02770154_1"

Treating input CT 475 "ZINC03176985_5"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 475 "ZINC03176985_5"

Treating input CT 476 "ZINC03176985_7"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 476 "ZINC03176985_7"

Treating input CT 477 "ZINC03045842_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 477 "ZINC03045842_1"

Treating input CT 478 "ZINC03045842_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 478 "ZINC03045842_3"

Treating input CT 479 "ZINC02572430_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 479 "ZINC02572430_1"

Treating input CT 480 "ZINC02572430_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 480 "ZINC02572430_3"

Treating input CT 481 "ZINC01839543_1"
  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 481 "ZINC01839543_1"

Treating input CT 482 "ZINC01839543_3"
  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 482 "ZINC01839543_3"

Treating input CT 483 "ZINC03172292_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 483 "ZINC03172292_1"

Treating input CT 484 "ZINC03172292_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 484 "ZINC03172292_3"

Treating input CT 485 "ZINC03172272_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 485 "ZINC03172272_1"

Treating input CT 486 "ZINC03172272_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 486 "ZINC03172272_3"

Treating input CT 487 "ZINC02180544_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 487 "ZINC02180544_1"

Treating input CT 488 "ZINC02180544_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 488 "ZINC02180544_3"

Treating input CT 489 "ZINC03185459_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 489 "ZINC03185459_1"

Treating input CT 490 "ZINC03185459_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 490 "ZINC03185459_3"

Treating input CT 491 "ZINC02180545_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 491 "ZINC02180545_1"

Treating input CT 492 "ZINC02180545_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 492 "ZINC02180545_3"

Treating input CT 493 "ZINC01720561_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 493 "ZINC01720561_1"

Treating input CT 494 "ZINC01720561_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 494 "ZINC01720561_3"

Treating input CT 495 "ZINC02163782_1"
  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 495 "ZINC02163782_1"

Treating input CT 496 "ZINC02163782_3"
  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 496 "ZINC02163782_3"

Treating input CT 497 "ZINC03144356_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 497 "ZINC03144356_1"

Treating input CT 498 "ZINC01755548_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 498 "ZINC01755548_1"

Treating input CT 499 "ZINC01755548_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 499 "ZINC01755548_3"

Treating input CT 500 "ZINC02317130_1"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 500 "ZINC02317130_1"

Treating input CT 501 "ZINC02317130_3"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proce