Run as: ionizer -i 2 -ph 7 -s /raid1/people/joha/PETC/PYTHON/DB/ionizer_tiSHO_exclude.ini -i f_thio_p_in_en_ln_corina.mae -l f_thio_p_in_en_ln_corina_ionizer.log -b f_thio_p_in_en_ln_corina_ionizer_bad.mae -o f_thio_p_in_en_ln_corina_ionizer.mae

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

Treating input CT 1 "ZINC02019829_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 1 "ZINC02019829_1_i001_c001"

Treating input CT 2 "ZINC02019829_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 2 "ZINC02019829_3_i001_c001"

Treating input CT 3 "ZINC02019829_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 3 "ZINC02019829_5_i001_c001"

Treating input CT 4 "ZINC02019829_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 4 "ZINC02019829_7_i001_c001"

Treating input CT 5 "ZINC03115909_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 5 "ZINC03115909_1_i001_c001"

Treating input CT 6 "ZINC01841076_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 6 "ZINC01841076_1_i001_c001"

Treating input CT 7 "ZINC01841076_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 7 "ZINC01841076_3_i001_c001"

Treating input CT 8 "ZINC01841076_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 8 "ZINC01841076_5_i001_c001"

Treating input CT 9 "ZINC01841076_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 9 "ZINC01841076_7_i001_c001"

Treating input CT 10 "ZINC03198073_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 10 "ZINC03198073_1_i001_c001"

Treating input CT 11 "ZINC03198073_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 11 "ZINC03198073_3_i001_c001"

Treating input CT 12 "ZINC03183350_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 12 "ZINC03183350_1_i001_c001"

Treating input CT 13 "ZINC01841239_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 13 "ZINC01841239_1_i001_c001"

Treating input CT 14 "ZINC01841239_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 14 "ZINC01841239_3_i001_c001"

Treating input CT 15 "ZINC01841239_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 15 "ZINC01841239_5_i001_c001"

Treating input CT 16 "ZINC01841239_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 16 "ZINC01841239_7_i001_c001"

Treating input CT 17 "ZINC01845752_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 17 "ZINC01845752_1_i001_c001"

Treating input CT 18 "ZINC01845752_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 18 "ZINC01845752_3_i001_c001"

Treating input CT 19 "ZINC01719985_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 19 "ZINC01719985_1_i001_c001"

Treating input CT 20 "ZINC01719985_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 20 "ZINC01719985_3_i001_c001"

Treating input CT 21 "ZINC02016133_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 21 "ZINC02016133_1_i001_c001"

Treating input CT 22 "ZINC02016133_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 22 "ZINC02016133_3_i001_c001"

Treating input CT 23 "ZINC02016133_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 23 "ZINC02016133_5_i001_c001"

Treating input CT 24 "ZINC02016133_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 24 "ZINC02016133_7_i001_c001"

Treating input CT 25 "ZINC01841078_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 25 "ZINC01841078_1_i001_c001"

Treating input CT 26 "ZINC01841078_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 26 "ZINC01841078_3_i001_c001"

Treating input CT 27 "ZINC01841078_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 27 "ZINC01841078_5_i001_c001"

Treating input CT 28 "ZINC01841078_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 28 "ZINC01841078_7_i001_c001"

Treating input CT 29 "ZINC01845751_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 29 "ZINC01845751_1_i001_c001"

Treating input CT 30 "ZINC01845751_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 30 "ZINC01845751_3_i001_c001"

Treating input CT 31 "ZINC03195666_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 31 "ZINC03195666_1_i001_c001"

Treating input CT 32 "ZINC03195666_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 32 "ZINC03195666_3_i001_c001"

Treating input CT 33 "ZINC02035958_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 33 "ZINC02035958_1_i001_c001"

Treating input CT 34 "ZINC02035958_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 34 "ZINC02035958_3_i001_c001"

Treating input CT 35 "ZINC02035958_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 35 "ZINC02035958_5_i001_c001"

Treating input CT 36 "ZINC02035958_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 36 "ZINC02035958_7_i001_c001"

Treating input CT 37 "ZINC03198068_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 37 "ZINC03198068_1_i001_c001"

Treating input CT 38 "ZINC03198068_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 38 "ZINC03198068_3_i001_c001"

Treating input CT 39 "ZINC01995281_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 39 "ZINC01995281_1_i001_c001"

Treating input CT 40 "ZINC01995281_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 40 "ZINC01995281_3_i001_c001"

Treating input CT 41 "ZINC01995281_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 41 "ZINC01995281_5_i001_c001"

Treating input CT 42 "ZINC01995281_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 42 "ZINC01995281_7_i001_c001"

Treating input CT 43 "ZINC01435865_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 43 "ZINC01435865_1_i001_c001"

Treating input CT 44 "ZINC02019830_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 44 "ZINC02019830_1_i001_c001"

Treating input CT 45 "ZINC02019830_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 45 "ZINC02019830_3_i001_c001"

Treating input CT 46 "ZINC02019830_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 46 "ZINC02019830_5_i001_c001"

Treating input CT 47 "ZINC02019830_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 47 "ZINC02019830_7_i001_c001"

Treating input CT 48 "ZINC03176670_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 48 "ZINC03176670_1_i001_c001"

Treating input CT 49 "ZINC03176670_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 49 "ZINC03176670_3_i001_c001"

Treating input CT 50 "ZINC01841081_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 50 "ZINC01841081_1_i001_c001"

Treating input CT 51 "ZINC01841081_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 51 "ZINC01841081_3_i001_c001"

Treating input CT 52 "ZINC01841081_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 52 "ZINC01841081_5_i001_c001"

Treating input CT 53 "ZINC01841081_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 53 "ZINC01841081_7_i001_c001"

Treating input CT 54 "ZINC03223833_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 54 "ZINC03223833_1_i001_c001"

Treating input CT 55 "ZINC03223833_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 55 "ZINC03223833_3_i001_c001"

Treating input CT 56 "ZINC01603148_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 56 "ZINC01603148_1_i001_c001"

Treating input CT 57 "ZINC01603148_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 57 "ZINC01603148_3_i001_c001"

Treating input CT 58 "ZINC01603148_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 58 "ZINC01603148_5_i001_c001"

Treating input CT 59 "ZINC01603148_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 59 "ZINC01603148_7_i001_c001"

Treating input CT 60 "ZINC02035942_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 60 "ZINC02035942_1_i001_c001"

Treating input CT 61 "ZINC02035942_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 61 "ZINC02035942_3_i001_c001"

Treating input CT 62 "ZINC02035941_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 62 "ZINC02035941_1_i001_c001"

Treating input CT 63 "ZINC02035941_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 63 "ZINC02035941_3_i001_c001"

Treating input CT 64 "ZINC02035942_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 64 "ZINC02035942_5_i001_c001"

Treating input CT 65 "ZINC02035942_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 65 "ZINC02035942_7_i001_c001"

Treating input CT 66 "ZINC03212541_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 66 "ZINC03212541_1_i001_c001"

Treating input CT 67 "ZINC03212541_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 67 "ZINC03212541_3_i001_c001"

Treating input CT 68 "ZINC01845752_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 68 "ZINC01845752_5_i001_c001"

Treating input CT 69 "ZINC01845752_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 69 "ZINC01845752_7_i001_c001"

Treating input CT 70 "ZINC02035941_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 70 "ZINC02035941_5_i001_c001"

Treating input CT 71 "ZINC02035941_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 71 "ZINC02035941_7_i001_c001"

Treating input CT 72 "ZINC01842747_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 72 "ZINC01842747_1_i001_c001"

Treating input CT 73 "ZINC01842747_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 73 "ZINC01842747_3_i001_c001"

Treating input CT 74 "ZINC02035959_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 74 "ZINC02035959_1_i001_c001"

Treating input CT 75 "ZINC02035959_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 75 "ZINC02035959_3_i001_c001"

Treating input CT 76 "ZINC02035959_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 76 "ZINC02035959_5_i001_c001"

Treating input CT 77 "ZINC02035959_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 77 "ZINC02035959_7_i001_c001"

Treating input CT 78 "ZINC02003670_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 78 "ZINC02003670_1_i001_c001"

Treating input CT 79 "ZINC02003670_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 79 "ZINC02003670_3_i001_c001"

Treating input CT 80 "ZINC02003670_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 80 "ZINC02003670_5_i001_c001"

Treating input CT 81 "ZINC02003670_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 81 "ZINC02003670_7_i001_c001"

Treating input CT 82 "ZINC02040820_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 82 "ZINC02040820_1_i001_c001"

Treating input CT 83 "ZINC02040820_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 83 "ZINC02040820_3_i001_c001"

Treating input CT 84 "ZINC02040820_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 84 "ZINC02040820_5_i001_c001"

Treating input CT 85 "ZINC02040820_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 85 "ZINC02040820_7_i001_c001"

Treating input CT 86 "ZINC01737362_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 86 "ZINC01737362_1_i001_c001"

Treating input CT 87 "ZINC01737362_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 87 "ZINC01737362_3_i001_c001"

Treating input CT 88 "ZINC01737362_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 88 "ZINC01737362_5_i001_c001"

Treating input CT 89 "ZINC01737362_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 89 "ZINC01737362_7_i001_c001"

Treating input CT 90 "ZINC01847583_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 90 "ZINC01847583_1_i001_c001"

Treating input CT 91 "ZINC01847583_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 91 "ZINC01847583_3_i001_c001"

Treating input CT 92 "ZINC03198232_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 92 "ZINC03198232_1_i001_c001"

Treating input CT 93 "ZINC03198232_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 93 "ZINC03198232_3_i001_c001"

Treating input CT 94 "ZINC01847583_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 94 "ZINC01847583_5_i001_c001"

Treating input CT 95 "ZINC01847583_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 95 "ZINC01847583_7_i001_c001"

Treating input CT 96 "ZINC01603531_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 96 "ZINC01603531_1_i001_c001"

Treating input CT 97 "ZINC01603531_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 97 "ZINC01603531_3_i001_c001"

Treating input CT 98 "ZINC01603531_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 98 "ZINC01603531_5_i001_c001"

Treating input CT 99 "ZINC01603531_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 99 "ZINC01603531_7_i001_c001"

Treating input CT 100 "ZINC01603170_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 100 "ZINC01603170_1_i001_c001"

Treating input CT 101 "ZINC01603170_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 101 "ZINC01603170_3_i001_c001"

Treating input CT 102 "ZINC01603170_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 102 "ZINC01603170_5_i001_c001"

Treating input CT 103 "ZINC01603170_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 103 "ZINC01603170_7_i001_c001"

Treating input CT 104 "ZINC01847584_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 104 "ZINC01847584_1_i001_c001"

Treating input CT 105 "ZINC01847584_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 105 "ZINC01847584_3_i001_c001"

Treating input CT 106 "ZINC02030584_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 106 "ZINC02030584_1_i001_c001"

Treating input CT 107 "ZINC01847584_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 107 "ZINC01847584_5_i001_c001"

Treating input CT 108 "ZINC01847584_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 108 "ZINC01847584_7_i001_c001"

Treating input CT 109 "ZINC03176671_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 109 "ZINC03176671_1_i001_c001"

Treating input CT 110 "ZINC03176671_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 110 "ZINC03176671_3_i001_c001"

Treating input CT 111 "ZINC01841079_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 111 "ZINC01841079_1_i001_c001"

Treating input CT 112 "ZINC01841079_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 112 "ZINC01841079_3_i001_c001"

Treating input CT 113 "ZINC01603147_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 113 "ZINC01603147_1_i001_c001"

Treating input CT 114 "ZINC01603147_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 114 "ZINC01603147_3_i001_c001"

Treating input CT 115 "ZINC01603147_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 115 "ZINC01603147_5_i001_c001"

Treating input CT 116 "ZINC01603147_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 116 "ZINC01603147_7_i001_c001"

Treating input CT 117 "ZINC01841079_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 117 "ZINC01841079_5_i001_c001"

Treating input CT 118 "ZINC01841079_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 118 "ZINC01841079_7_i001_c001"

Treating input CT 119 "ZINC03198086_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 119 "ZINC03198086_1_i001_c001"

Treating input CT 120 "ZINC03198086_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 120 "ZINC03198086_3_i001_c001"

Treating input CT 121 "ZINC02040819_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 121 "ZINC02040819_1_i001_c001"

Treating input CT 122 "ZINC02040819_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 122 "ZINC02040819_3_i001_c001"

Treating input CT 123 "ZINC02040819_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 123 "ZINC02040819_5_i001_c001"

Treating input CT 124 "ZINC02040819_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 124 "ZINC02040819_7_i001_c001"

Treating input CT 125 "ZINC03198071_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 125 "ZINC03198071_1_i001_c001"

Treating input CT 126 "ZINC03198071_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 126 "ZINC03198071_3_i001_c001"

Treating input CT 127 "ZINC03165747_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 127 "ZINC03165747_1_i001_c001"

Treating input CT 128 "ZINC03165747_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 128 "ZINC03165747_1_i001_c002"

Treating input CT 129 "ZINC03165747_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 129 "ZINC03165747_3_i001_c001"

Treating input CT 130 "ZINC03165747_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 130 "ZINC03165747_3_i001_c002"

Treating input CT 131 "ZINC03192836_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 131 "ZINC03192836_1_i001_c001"

Treating input CT 132 "ZINC03192836_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 132 "ZINC03192836_3_i001_c001"

Treating input CT 133 "ZINC01719940_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 133 "ZINC01719940_1_i001_c001"

Treating input CT 134 "ZINC03195668_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 134 "ZINC03195668_1_i001_c001"

Treating input CT 135 "ZINC03195668_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 135 "ZINC03195668_3_i001_c001"

Treating input CT 136 "ZINC00000691_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 136 "ZINC00000691_1_i001_c001"

Treating input CT 137 "ZINC00000691_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 137 "ZINC00000691_3_i001_c001"

Treating input CT 138 "ZINC00000691_5_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 138 "ZINC00000691_5_i001_c001"

Treating input CT 139 "ZINC00000691_7_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 139 "ZINC00000691_7_i001_c001"

Treating input CT 140 "ZINC02016134_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 140 "ZINC02016134_1_i001_c001"

Treating input CT 141 "ZINC02016134_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 141 "ZINC02016134_3_i001_c001"

Treating input CT 142 "ZINC02003960_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 142 "ZINC02003960_1_i001_c001"

Treating input CT 143 "ZINC02003960_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 143 "ZINC02003960_3_i001_c001"

Treating input CT 144 "ZINC02003960_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 144 "ZINC02003960_5_i001_c001"

Treating input CT 145 "ZINC02003960_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 145 "ZINC02003960_7_i001_c001"

Treating input CT 146 "ZINC02016134_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 146 "ZINC02016134_5_i001_c001"

Treating input CT 147 "ZINC02016134_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 147 "ZINC02016134_7_i001_c001"

Treating input CT 148 "ZINC02004432_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 148 "ZINC02004432_1_i001_c001"

Treating input CT 149 "ZINC02004432_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 149 "ZINC02004432_3_i001_c001"

Treating input CT 150 "ZINC02004432_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 150 "ZINC02004432_5_i001_c001"

Treating input CT 151 "ZINC02004432_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 151 "ZINC02004432_7_i001_c001"

Treating input CT 152 "ZINC03198228_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 152 "ZINC03198228_1_i001_c001"

Treating input CT 153 "ZINC03198228_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 153 "ZINC03198228_3_i001_c001"

Treating input CT 154 "ZINC01842747_5_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 154 "ZINC01842747_5_i001_c001"

Treating input CT 155 "ZINC01842747_7_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 155 "ZINC01842747_7_i001_c001"

Treating input CT 156 "ZINC03192835_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 156 "ZINC03192835_1_i001_c001"

Treating input CT 157 "ZINC03192835_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 157 "ZINC03192835_3_i001_c001"

Treating input CT 158 "ZINC03216876_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 158 "ZINC03216876_1_i001_c001"

Treating input CT 159 "ZINC03216876_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 159 "ZINC03216876_3_i001_c001"

Treating input CT 160 "ZINC02038897_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 160 "ZINC02038897_1_i001_c001"

Treating input CT 161 "ZINC02038897_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 161 "ZINC02038897_3_i001_c001"

Treating input CT 162 "ZINC00598470_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 162 "ZINC00598470_1_i001_c001"

Treating input CT 163 "ZINC00598470_1_i001_c002"
  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 "ZINC00598470_1_i001_c002"

Treating input CT 164 "ZINC00598470_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 164 "ZINC00598470_3_i001_c001"

Treating input CT 165 "ZINC00598470_3_i001_c002"
  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 165 "ZINC00598470_3_i001_c002"

Treating input CT 166 "ZINC02038897_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 166 "ZINC02038897_5_i001_c001"

Treating input CT 167 "ZINC02038897_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 167 "ZINC02038897_7_i001_c001"

Treating input CT 168 "ZINC03165277_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 168 "ZINC03165277_1_i001_c001"

Treating input CT 169 "ZINC01512626_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 169 "ZINC01512626_1_i001_c001"

Treating input CT 170 "ZINC03198226_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 170 "ZINC03198226_1_i001_c001"

Treating input CT 171 "ZINC03198226_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 171 "ZINC03198226_3_i001_c001"

Treating input CT 172 "ZINC03198230_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 172 "ZINC03198230_1_i001_c001"

Treating input CT 173 "ZINC03198230_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 173 "ZINC03198230_3_i001_c001"

Treating input CT 174 "ZINC01648341_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 174 "ZINC01648341_1_i001_c001"

Treating input CT 175 "ZINC01648341_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 175 "ZINC01648341_3_i001_c001"

Treating input CT 176 "ZINC01648341_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 176 "ZINC01648341_5_i001_c001"

Treating input CT 177 "ZINC01648341_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 177 "ZINC01648341_7_i001_c001"

Treating input CT 178 "ZINC02003962_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 178 "ZINC02003962_1_i001_c001"

Treating input CT 179 "ZINC02003962_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 179 "ZINC02003962_3_i001_c001"

Treating input CT 180 "ZINC03198368_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 180 "ZINC03198368_1_i001_c001"

Treating input CT 181 "ZINC03198368_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 181 "ZINC03198368_3_i001_c001"

Treating input CT 182 "ZINC02003962_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 182 "ZINC02003962_5_i001_c001"

Treating input CT 183 "ZINC02003962_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 183 "ZINC02003962_7_i001_c001"

Treating input CT 184 "ZINC03183333_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 184 "ZINC03183333_1_i001_c001"

Treating input CT 185 "ZINC01845751_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 185 "ZINC01845751_5_i001_c001"

Treating input CT 186 "ZINC01845751_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 186 "ZINC01845751_7_i001_c001"

Treating input CT 187 "ZINC03216886_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 187 "ZINC03216886_1_i001_c001"

Treating input CT 188 "ZINC03216886_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 188 "ZINC03216886_3_i001_c001"

Treating input CT 189 "ZINC03198070_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 189 "ZINC03198070_1_i001_c001"

Treating input CT 190 "ZINC03198070_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 190 "ZINC03198070_3_i001_c001"

Treating input CT 191 "ZINC02003669_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 191 "ZINC02003669_1_i001_c001"

Treating input CT 192 "ZINC02003669_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 192 "ZINC02003669_3_i001_c001"

Treating input CT 193 "ZINC02004434_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 193 "ZINC02004434_1_i001_c001"

Treating input CT 194 "ZINC02004434_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 194 "ZINC02004434_3_i001_c001"

Treating input CT 195 "ZINC02004434_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 195 "ZINC02004434_5_i001_c001"

Treating input CT 196 "ZINC02004434_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 196 "ZINC02004434_7_i001_c001"

Treating input CT 197 "ZINC02003669_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 197 "ZINC02003669_5_i001_c001"

Treating input CT 198 "ZINC02003669_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 198 "ZINC02003669_7_i001_c001"

Treating input CT 199 "ZINC03198211_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 199 "ZINC03198211_1_i001_c001"

Treating input CT 200 "ZINC03198211_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 200 "ZINC03198211_3_i001_c001"

Treating input CT 201 "ZINC01661523_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 201 "ZINC01661523_1_i001_c001"

Treating input CT 202 "ZINC01661523_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 202 "ZINC01661523_3_i001_c001"

Treating input CT 203 "ZINC01995282_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 203 "ZINC01995282_1_i001_c001"

Treating input CT 204 "ZINC01995282_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 204 "ZINC01995282_3_i001_c001"

Treating input CT 205 "ZINC01995282_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 205 "ZINC01995282_5_i001_c001"

Treating input CT 206 "ZINC01995282_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 206 "ZINC01995282_7_i001_c001"

Treating input CT 207 "ZINC01661523_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 207 "ZINC01661523_5_i001_c001"

Treating input CT 208 "ZINC01661523_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 208 "ZINC01661523_7_i001_c001"

Treating input CT 209 "ZINC03165807_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 209 "ZINC03165807_1_i001_c001"

Treating input CT 210 "ZINC03165807_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 210 "ZINC03165807_3_i001_c001"

Treating input CT 211 "ZINC01841237_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 211 "ZINC01841237_1_i001_c001"

Treating input CT 212 "ZINC01841237_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 212 "ZINC01841237_3_i001_c001"

Treating input CT 213 "ZINC01841237_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 213 "ZINC01841237_5_i001_c001"

Treating input CT 214 "ZINC01841237_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 214 "ZINC01841237_7_i001_c001"

Treating input CT 215 "ZINC03198089_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 215 "ZINC03198089_1_i001_c001"

Treating input CT 216 "ZINC03198089_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 216 "ZINC03198089_3_i001_c001"

Input structures treated: 216
Output structures written: 228
Size of output file "f_thio_p_in_en_ln_corina_ionizer.mae" is 2322627 bytes
Bad input structures skipped over: 0