CIP Validation Suite Results -- 2026-06-11 19:23:16 UTC
RDKit rdCIPLabeler.AssignCIPLabels() (RDKit 2026.03.1)

  Total compounds:       300
  With expected labels:  290
  No expected labels:    10

  Pass:                  182
  Fail:                  108
  Invalid SMILES:        0

Failures by stereo type:
  TH (tetrahedral)               22
  CT (cis-trans)                 32
  AT (atropisomeric)             6
  HE (helicene)                  2
  CT,TH (mixed)                  30
  AT,TH                          1
  CT,CT4                         1
  CT4                            2
  CT4,TH                         2
  TH,TH3                         4
  TH3                            4
  TH5                            1
  TH5,CT                         1

Failure details:
  VS010: 19P: expected P, got <none> (HE)
  VS010: 26P: expected P, got <none> (HE)
  VS011: 19M: expected M, got <none> (HE)
  VS011: 26M: expected M, got <none> (HE)
  VS013: 6E: expected E, got <none> (CT, rules: 1a)
  VS013: 8Z: expected Z, got <none> (CT, rules: 1a)
  VS018: 13E: expected E, got <none> (CT,TH, rules: 1a)
  VS019: 8E: expected E, got <none> (CT, rules: 1a)
  VS020: 12Z: expected Z, got <none> (CT, rules: 1a)
  VS023: 5M: expected M, got <none> (AT, rules: 1a)
  VS023: 6M: expected M, got <none> (AT, rules: 1a)
  VS026: 6Z: expected Z, got <none> (CT,TH, rules: 1a)
  VS026: 11E: expected E, got <none> (CT,TH, rules: 1a)
  VS032: 4Z: expected Z, got <none> (CT,TH, rules: 1a)
  VS033: 4Z: expected Z, got <none> (CT,TH, rules: 1a)
  VS036: 2Z: expected Z, got <none> (CT, rules: 1a)
  VS041: 3E: expected E, got <none> (CT, rules: 1a)
  VS042: 9E: expected E, got <none> (CT, rules: 1a)
  VS044: 6E: expected E, got <none> (CT, rules: 1a)
  VS049: 4E: expected E, got <none> (CT, rules: 1a)
  VS049: 6E: expected E, got <none> (CT, rules: 1a)
  VS049: 11Z: expected Z, got <none> (CT, rules: 1a)
  VS053: 3E: expected E, got <none> (CT,TH, rules: 1a)
  VS053: 5E: expected E, got <none> (CT,TH, rules: 1a)
  VS053: 15E: expected E, got <none> (CT,TH, rules: 1a)
  VS053: 17E: expected E, got <none> (CT,TH, rules: 1a)
  VS055: 3P: expected P, got <none> (AT, rules: 1a)
  VS055: 11P: expected P, got <none> (AT, rules: 1a)
  VS057: 4M: expected M, got <none> (AT, rules: 1a)
  VS057: 12M: expected M, got <none> (AT, rules: 1a)
  VS058: 4Z: expected Z, got <none> (CT, rules: 1a)
  VS058: 6E: expected E, got <none> (CT, rules: 1a)
  VS060: 3Z: expected Z, got <none> (CT, rules: 1a)
  VS061: 3E: expected E, got <none> (CT, rules: 1a)
  VS062: 12Z: expected Z, got <none> (CT,TH, rules: 1a)
  VS063: 28E: expected E, got <none> (CT4,TH, rules: 1a)
  VS063: 31E: expected E, got <none> (CT4,TH, rules: 1a)
  VS072: 3M: expected M, got <none> (AT,TH, rules: 1a)
  VS072: 4M: expected M, got <none> (AT,TH, rules: 1a)
  VS073: 3M: expected M, got <none> (AT, rules: 1a)
  VS073: 4M: expected M, got <none> (AT, rules: 1a)
  VS078: 42P: expected P, got <none> (TH,TH3, rules: 1a)
  VS078: 44P: expected P, got <none> (TH,TH3, rules: 1a)
  VS079: 2M: expected M, got <none> (TH3, rules: 1a)
  VS079: 4M: expected M, got <none> (TH3, rules: 1a)
  VS085: 11E: expected E, got <none> (CT, rules: 1a)
  VS086: 4P: expected P, got <none> (AT, rules: 1a)
  VS086: 5P: expected P, got <none> (AT, rules: 1a)
  VS087: 8E: expected E, got <none> (CT,TH, rules: 1a)
  VS087: 11E: expected E, got <none> (CT,TH, rules: 1a)
  VS088: 8Z: expected Z, got <none> (CT,TH, rules: 1a)
  VS088: 11E: expected E, got <none> (CT,TH, rules: 1a)
  VS093: 7Z: expected Z, got <none> (CT, rules: 1a)
  VS093: 9E: expected E, got <none> (CT, rules: 1a)
  VS096: 3Z: expected Z, got <none> (CT, rules: 1a)
  VS100: 3Z: expected Z, got <none> (CT, rules: 1a)
  VS100: 5E: expected E, got <none> (CT, rules: 1a)
  VS101: 3Z: expected Z, got <none> (CT, rules: 1a)
  VS101: 8E: expected E, got <none> (CT, rules: 1a)
  VS107: 3E: expected E, got <none> (CT, rules: 1a)
  VS107: 5Z: expected Z, got <none> (CT, rules: 1a)
  VS107: 7E: expected E, got <none> (CT, rules: 1a)
  VS110: 9E: expected E, got <none> (CT, rules: 1a)
  VS114: 4Z: expected Z, got <none> (CT, rules: 1a)
  VS117: 3Z: expected Z, got <none> (CT, rules: 1a)
  VS118: 2E: expected E, got <none> (CT4, rules: 1a)
  VS118: 5E: expected E, got <none> (CT4, rules: 1a)
  VS120: 44P: expected P, got <none> (TH,TH3, rules: 1a)
  VS120: 46P: expected P, got <none> (TH,TH3, rules: 1a)
  VS121: 3E: expected E, got <none> (CT, rules: 1a)
  VS125: 11E: expected E, got <none> (CT,TH, rules: 1a)
  VS126: 13Z: expected Z, got <none> (CT,TH, rules: 1a)
  VS126: 16E: expected E, got <none> (CT,TH, rules: 1a)
  VS126: 35E: expected E, got <none> (CT,TH, rules: 1a)
  VS126: 48E: expected E, got <none> (CT,TH, rules: 1a)
  VS127: 13E: expected E, got <none> (CT,TH, rules: 1a)
  VS127: 16E: expected E, got <none> (CT,TH, rules: 1a)
  VS127: 35E: expected E, got <none> (CT,TH, rules: 1a)
  VS127: 48E: expected E, got <none> (CT,TH, rules: 1a)
  VS132: 6S: expected S, got <none> (TH, rules: 1a)
  VS132: 14S: expected S, got <none> (TH, rules: 1a)
  VS135: 2Z: expected Z, got <none> (CT4, rules: 1a)
  VS135: 5Z: expected Z, got <none> (CT4, rules: 1a)
  VS137: 3Z: expected Z, got <none> (CT, rules: 1a)
  VS140: 3E: expected E, got <none> (CT, rules: 1a)
  VS141: 3Z: expected Z, got <none> (TH5,CT, rules: 1a)
  VS141: 4P: expected P, got <none> (TH5,CT, rules: 1a)
  VS141: 8P: expected P, got <none> (TH5,CT, rules: 1a)
  VS144: 2P: expected P, got <none> (TH3, rules: 1a)
  VS144: 4P: expected P, got <none> (TH3, rules: 1a)
  VS146: 7Z: expected Z, got <none> (CT,TH, rules: 1a)
  VS146: 11E: expected E, got <none> (CT,TH, rules: 1a)
  VS146: 13E: expected E, got <none> (CT,TH, rules: 1a)
  VS146: 15Z: expected Z, got <none> (CT,TH, rules: 1a)
  VS148: 4E: expected E, got <none> (CT, rules: 1a)
  VS153: 3Z: expected Z, got <none> (CT, rules: 1a)
  VS153: 5E: expected E, got <none> (CT, rules: 1a)
  VS154: 2E: expected E, got <none> (CT,CT4, rules: 1a)
  VS154: 5E: expected E, got <none> (CT,CT4, rules: 1a)
  VS154: 7E: expected E, got <none> (CT,CT4, rules: 1a)
  VS155: 10Z: expected Z, got <none> (CT, rules: 1a)
  VS155: 16Z: expected Z, got <none> (CT, rules: 1a)
  VS157: 8E: expected E, got <none> (CT,TH, rules: 1a)
  VS157: 11E: expected E, got <none> (CT,TH, rules: 1a)
  VS158: 3P: expected P, got <none> (AT, rules: 1a)
  VS158: 10P: expected P, got <none> (AT, rules: 1a)
  VS161: 3Z: expected Z, got <none> (CT,TH, rules: 1a)
  VS164: 23Z: expected Z, got <none> (CT4,TH, rules: 1a)
  VS164: 26Z: expected Z, got <none> (CT4,TH, rules: 1a)
  VS166: 2P: expected P, got <none> (TH5, rules: 1a)
  VS166: 6P: expected P, got <none> (TH5, rules: 1a)
  VS173: 5Z: expected Z, got <none> (CT,TH, rules: 1a,1b)
  VS173: 10Z: expected Z, got <none> (CT,TH, rules: 1a,1b)
  VS173: 15Z: expected Z, got <none> (CT,TH, rules: 1a,1b)
  VS176: 4Z: expected Z, got <none> (CT, rules: 2)
  VS184: 3E: expected E, got <none> (CT, rules: 2)
  VS185: 3Z: expected Z, got <none> (CT, rules: 2)
  VS188: 2E: expected E, got <none> (CT, rules: 3)
  VS188: 3E: expected E, got <none> (CT, rules: 3)
  VS188: 5E: expected E, got <none> (CT, rules: 3)
  VS188: 7E: expected E, got <none> (CT, rules: 3)
  VS189: 2Z: expected Z, got <none> (CT, rules: 3)
  VS189: 3Z: expected Z, got <none> (CT, rules: 3)
  VS189: 6Z: expected Z, got <none> (CT, rules: 3)
  VS189: 9Z: expected Z, got <none> (CT, rules: 3)
  VS190: 2E: expected E, got <none> (CT, rules: 3)
  VS190: 3E: expected E, got <none> (CT, rules: 3)
  VS190: 5E: expected E, got <none> (CT, rules: 3)
  VS190: 7E: expected E, got <none> (CT, rules: 3)
  VS190: 9E: expected E, got <none> (CT, rules: 3)
  VS190: 11E: expected E, got <none> (CT, rules: 3)
  VS191: 3Z: expected Z, got <none> (CT,TH, rules: 1a,3)
  VS191: 6Z: expected Z, got <none> (CT,TH, rules: 1a,3)
  VS191: 12Z: expected Z, got <none> (CT,TH, rules: 1a,3)
  VS191: 16Z: expected Z, got <none> (CT,TH, rules: 1a,3)
  VS191: 21E: expected E, got <none> (CT,TH, rules: 1a,3)
  VS192: 3Z: expected Z, got <none> (CT,TH, rules: 1a,3)
  VS192: 12E: expected E, got <none> (CT,TH, rules: 1a,3)
  VS193: 3Z: expected Z, got <none> (CT,TH, rules: 1a,3)
  VS193: 12E: expected E, got <none> (CT,TH, rules: 1a,3)
  VS194: 3Z: expected Z, got <none> (CT,TH, rules: 1a,3)
  VS194: 12E: expected E, got <none> (CT,TH, rules: 1a,3)
  VS195: 3Z: expected Z, got <none> (CT,TH, rules: 1a,3)
  VS195: 8E: expected E, got <none> (CT,TH, rules: 1a,3)
  VS207: 6r: expected r, got <none> (TH, rules: 5)
  VS207: 16r: expected r, got <none> (TH, rules: 5)
  VS214: 3s: expected s, got <none> (CT,TH, rules: 5)
  VS214: 6E: expected E, got <none> (CT,TH, rules: 5)
  VS214: 9E: expected E, got <none> (CT,TH, rules: 5)
  VS214: 12s: expected s, got <none> (CT,TH, rules: 5)
  VS226: 8r: expected r, got <none> (TH, rules: 5)
  VS226: 11r: expected r, got <none> (TH, rules: 5)
  VS231: 2p: expected p, got <none> (TH,TH3, rules: 1a,5)
  VS231: 4p: expected p, got <none> (TH,TH3, rules: 1a,5)
  VS231: 7s: expected s, got <none> (TH,TH3, rules: 1a,5)
  VS232: 2m: expected m, got <none> (TH3, rules: 1a,5)
  VS232: 4m: expected m, got <none> (TH3, rules: 1a,5)
  VS232: 7m: expected m, got <none> (TH3, rules: 1a,5)
  VS232: 11m: expected m, got <none> (TH3, rules: 1a,5)
  VS240: 5E: expected E, got <none> (CT,TH, rules: 1a,5)
  VS240: 12E: expected E, got <none> (CT,TH, rules: 1a,5)
  VS243: 2m: expected m, got <none> (TH,TH3, rules: 1a,5)
  VS243: 4m: expected m, got <none> (TH,TH3, rules: 1a,5)
  VS245: 2E: expected E, got <none> (CT,TH, rules: 1a,5)
  VS246: 6R: expected R, got <none> (CT,TH, rules: 3,5)
  VS247: 6R: expected R, got <none> (CT,TH, rules: 3,5)
  VS248: 4S: expected S, got <none> (CT,TH, rules: 3,5)
  VS259: 14E: expected E, got <none> (CT,TH, rules: 1a,4b,5)
  VS272: 6Z: expected Z, got <none> (CT,TH, rules: 1a,4a,4b,5)
  VS272: 10Z: expected Z, got <none> (CT,TH, rules: 1a,4a,4b,5)
  VS279: 2R: expected R, got <none> (TH, rules: 4b,4c,5)
  VS279: 7S: expected S, got r (TH, rules: 4b,4c,5)
  VS279: 15S: expected S, got s (TH, rules: 4b,4c,5)
  VS280: 3R: expected R, got <none> (TH, rules: 6)
  VS280: 7R: expected R, got <none> (TH, rules: 6)
  VS280: 11R: expected R, got <none> (TH, rules: 6)
  VS280: 15R: expected R, got <none> (TH, rules: 6)
  VS280: 19R: expected R, got <none> (TH, rules: 6)
  VS281: 3S: expected S, got <none> (TH, rules: 6)
  VS282: 3R: expected R, got <none> (TH, rules: 6)
  VS283: 3S: expected S, got <none> (TH, rules: 6)
  VS284: 3R: expected R, got <none> (TH, rules: 6)
  VS285: 3R: expected R, got <none> (TH, rules: 6)
  VS286: 2S: expected S, got <none> (TH, rules: 6)
  VS287: 2M: expected M, got <none> (TH3, rules: 6)
  VS287: 9M: expected M, got <none> (TH3, rules: 6)
  VS288: 3S: expected S, got <none> (TH, rules: 6)
  VS289: 3R: expected R, got <none> (TH, rules: 6)
  VS290: 3S: expected S, got <none> (TH, rules: 6)
  VS291: 2R: expected R, got <none> (TH, rules: 6)
  VS292: 3S: expected S, got <none> (TH, rules: 6)
  VS293: 4Z: expected Z, got <none> (CT,TH, rules: 1a,6)
  VS293: 8Z: expected Z, got <none> (CT,TH, rules: 1a,6)
  VS293: 12Z: expected Z, got <none> (CT,TH, rules: 1a,6)
  VS293: 14S: expected S, got <none> (CT,TH, rules: 1a,6)
  VS294: 4R: expected R, got <none> (TH, rules: 1a,6)
  VS295: 4S: expected S, got <none> (TH, rules: 1a,6)
  VS296: 2S: expected S, got <none> (TH, rules: 4c,6)
  VS296: 9S: expected S, got <none> (TH, rules: 4c,6)
  VS296: 14S: expected S, got <none> (TH, rules: 4c,6)
  VS297: 2R: expected R, got <none> (TH, rules: 4c,6)
  VS297: 5S: expected S, got <none> (TH, rules: 4c,6)
  VS297: 13S: expected S, got <none> (TH, rules: 4c,6)
  VS298: 2R: expected R, got <none> (TH, rules: 4c,6)
  VS298: 4S: expected S, got <none> (TH, rules: 4c,6)
  VS298: 7R: expected R, got <none> (TH, rules: 4c,6)
  VS299: 5S: expected S, got <none> (CT,TH, rules: 5,6)
  VS300: 2s: expected s, got <none> (TH, rules: 5,6)
  VS300: 4R: expected R, got <none> (TH, rules: 5,6)
  VS300: 18S: expected S, got <none> (TH, rules: 5,6)
