| Package | Description |
|---|---|
| michaelacceptors.rules | |
| mutant.rules |
| Modifier and Type | Class and Description |
|---|---|
class |
Rule1
TODO with StructureAlertAmbit [CH]#CC=O doesn't match COC(=O)C#C
while C#CC=O matches COC(=O)C#C
|
class |
Rule10A |
class |
Rule10B |
class |
Rule11 |
class |
Rule12A |
class |
Rule12B |
class |
Rule13A |
class |
Rule13B |
class |
Rule14 |
class |
Rule2 |
class |
Rule3 |
class |
Rule4A |
class |
Rule4B |
class |
Rule5 |
class |
Rule6 |
class |
Rule7 |
class |
Rule8 |
class |
Rule9A |
class |
Rule9B |
| Modifier and Type | Class and Description |
|---|---|
class |
SA26_gen
Aromatic ring N-oxide.
|
class |
SA28_gen
[a;!$(a(a[A;!#1])(a[A;!#1]));!$(aa[CX3](=O)[OX2H1]);!$(aa[SX4](=[OX1])(=[OX1])([O-]));!$(aaa[SX4](=[OX1])(=[OX1])([O-]));!$(aaaa[SX4](=[OX1])(=[OX1])([O-]));!$(aaaaa[SX4](=[OX1])(=[OX1])([O-]));!$(aaaaaa[SX4](=[OX1])(=[OX1])([O-]));!$(aN(CC[Cl,Br,F,I])(CC[Cl,Br,F,I]));!$(aaN(CC[Cl,Br,F,I])(CC[Cl,Br,F,I]));!$(aaaN(CC[Cl,Br,F,I])(CC[Cl,Br,F,I]));!$(aaaaN(CC[Cl,Br,F,I])(CC[Cl,Br,F,I]));!$(aaaaaN(CC[Cl,Br,F,I])(CC[Cl,Br,F,I]))]!@[$([NX3;v3]([#1,CX4,CX3])([#1,CX4,CX3])),$([NX3;v3]([OX2H])([#1,CX4,CX3])),$([NX3;v3]([#1,CX4])OC=O)]
|
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