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mjohnson541ssun30
authored andcommitted
forbid carbonatebreak in R_Addition_MultipleBond
1 parent a1f44f5 commit 3e1d5a5

1 file changed

Lines changed: 19 additions & 1 deletion

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  • input/kinetics/families/R_Addition_MultipleBond

input/kinetics/families/R_Addition_MultipleBond/groups.py

Lines changed: 19 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -18859,7 +18859,7 @@
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)
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forbidden(
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label = "carbonate",
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label = "carbonaterad",
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group =
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"""
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1 *3 C u1 {2,S} {3,S} {4,S}
@@ -18873,3 +18873,21 @@
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""",
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)
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forbidden(
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label = "carbonatebreak",
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group =
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"""
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1 *3 C u0 {2,S} {3,S} {4,S} {5,S}
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2 O u0 {1,S}
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3 O u0 {1,S}
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4 O u0 {1,S}
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5 *1 R!H u0 {1,S} {6,[S,D]}
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6 *2 R!H u1 {5,[S,D]}
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""",
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shortDesc = u"""""",
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longDesc =
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u"""
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""",
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)

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