All SMIRKS patterns in OpenFF 1.0.0 Parsley forcefield

I found it helpful to print out and stare at all of the SMIRKS patterns in the OpenFF 1 Parsley forcefield, to get a sense of what sort of characteristics are most frequently used.

 

https://github.com/openforcefield/openforcefields/blob/master/openforcefields/offxml/openff-1.0.0.offxml

0: [#1:1]-[*:2]

1: [#6X4:1]-[#6X4:2]

2: [#6X4:1]-[#6X3:2]

3: [#6X4:1]-[#6X3:2]=[#8X1+0]

4: [#6X3:1]-[#6X3:2]

5: [#6X3:1]:[#6X3:2]

6: [#6X3:1]=[#6X3:2]

7: [#6:1]-[#7:2]

8: [#6X3:1]-[#7X3:2]

9: [#6X4:1]-[#7X3:2]-[#6X3]=[#8X1+0]

10: [#6X3:1](=[#8X1+0])-[#7X3:2]

11: [#6X3:1]-[#7X2:2]

12: [#6X3:1]:[#7X2,#7X3+1:2]

13: [#6X3:1]=[#7X2,#7X3+1:2]

14: [#6:1]-[#8:2]

15: [#6X4:1]-[#8X2H0:2]

16: [#6X3:1]-[#8X2:2]

17: [#6X3:1]-[#8X2H1:2]

18: [#6X3a:1]-[#8X2H0:2]

19: [#6X3:1](=[#8X1])-[#8X2H0:2]

20: [#6:1]=[#8X1+0,#8X2+1:2]

21: [#6X3:1](~[#8X1])~[#8X1:2]

22: [#6X3:1]~[#8X2+1:2]~[#6X3]

23: [#6X2:1]-[#6:2]

24: [#6X2:1]-[#6X4:2]

25: [#6X2:1]=[#6X3:2]

26: [#6:1]#[#7:2]

27: [#6X2:1]#[#6X2:2]

28: [#6X2:1]-[#8X2:2]

29: [#6X2:1]-[#7:2]

30: [#6X2:1]=[#7:2]

31: [#16:1]=[#6:2]

32: [#6X2:1]=[#16:2]

33: [#7:1]-[#7:2]

34: [#7X3:1]-[#7X2:2]

35: [#7X2:1]-[#7X2:2]

36: [#7:1]:[#7:2]

37: [#7:1]=[#7:2]

38: [#7:1]#[#7:2]

39: [#7:1]-[#8X2:2]

40: [#7:1]~[#8X1:2]

41: [#8X2:1]-[#8X2:2]

42: [#16:1]-[#6:2]

43: [#16:1]-[#1:2]

44: [#16:1]-[#16:2]

45: [#16:1]-[#9:2]

46: [#16:1]-[#17:2]

47: [#16:1]-[#35:2]

48: [#16:1]-[#53:2]

49: [#16X2,#16X1-1,#16X3+1:1]-[#6X4:2]

50: [#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]

51: [#16X2:1]-[#7:2]

52: [#16X2:1]-[#8X2:2]

53: [#16X2:1]=[#8X1,#7X2:2]

54: [#16X4,#16X3!+1:1]-[#6:2]

55: [#16X4,#16X3:1]~[#7:2]

56: [#16X4,#16X3:1]-[#8X2:2]

57: [#16X4,#16X3:1]~[#8X1:2]

58: [#15:1]-[#1:2]

59: [#15:1]~[#6:2]

60: [#15:1]-[#7:2]

61: [#15:1]=[#7:2]

62: [#15:1]~[#8X2:2]

63: [#15:1]~[#8X1:2]

64: [#16:1]-[#15:2]

65: [#15:1]=[#16X1:2]

66: [#6:1]-[#9:2]

67: [#6X4:1]-[#9:2]

68: [#6:1]-[#17:2]

69: [#6X4:1]-[#17:2]

70: [#6:1]-[#35:2]

71: [#6X4:1]-[#35:2]

72: [#6:1]-[#53:2]

73: [#6X4:1]-[#53:2]

74: [#7:1]-[#9:2]

75: [#7:1]-[#17:2]

76: [#7:1]-[#35:2]

77: [#7:1]-[#53:2]

78: [#15:1]-[#9:2]

79: [#15:1]-[#17:2]

80: [#15:1]-[#35:2]

81: [#15:1]-[#53:2]

82: [#6X4:1]-[#1:2]

83: [#6X3:1]-[#1:2]

84: [#6X2:1]-[#1:2]

85: [#7:1]-[#1:2]

86: [#8:1]-[#1:2]

87: [*:1]~[#6X4:2]-[*:3]

88: [#1:1]-[#6X4:2]-[#1:3]

89: [*;r3:1]1~;@[*;r3:2]~;@[*;r3:3]1

90: [*;r3:1]~;@[*;r3:2]~;!@[*:3]

91: [*:1]~;!@[*;r3:2]~;!@[*:3]

92: [#1:1]-[*;r3:2]~;!@[*:3]

93: [#6r4:1]-;@[#6r4:2]-;@[#6r4:3]

94: [!#1:1]-[#6r4:2]-;!@[!#1:3]

95: [!#1:1]-[#6r4:2]-;!@[#1:3]

96: [*:1]~[#6X3:2]~[*:3]

97: [#1:1]-[#6X3:2]~[*:3]

98: [#1:1]-[#6X3:2]-[#1:3]

99: [*;r6:1]~;@[*;r5:2]~;@[*;r5;x2:3]

100: [*:1]~;!@[*;X3;r5:2]~;@[*;r5:3]

101: [#8X1:1]~[#6X3:2]~[#8:3]

102: [*:1]~[#6X2:2]~[*:3]

103: [*:1]~[#7X2:2]~[*:3]

104: [*:1]-[#7X4,#7X3,#7X2-1:2]-[*:3]

105: [#1:1]-[#7X4,#7X3,#7X2-1:2]-[*:3]

106: [*:1]~[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]~[*:3]

107: [#1:1]-[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]-[*:3]

108: [*:1]~[#7X2+0:2]~[*:3]

109: [#1:1]-[#7X2+0:2]~[*:3]

110: [#6,#7,#8:1]-[#7X3:2](~[#8X1])~[#8X1:3]

111: [#8X1:1]~[#7X3:2]~[#8X1:3]

112: [*:1]~[#7X2:2]~[#7X1:3]

113: [*:1]-[#8:2]-[*:3]

114: [#6X3,#7:1]~;@[#8;r:2]~;@[#6X3,#7:3]

115: [*:1]-[#8X2+1:2]=[*:3]

116: [*:1]~[#16X4:2]~[*:3]

117: [*:1]-[#16X4,#16X3+0:2]-[*:3]

118: [*:1]~[#16X3$(*~[#8X1,#7X2]):2]~[*:3]

119: [*:1]~[#16X2,#16X3+1:2]~[*:3]

120: [*:1]=[#16X2:2]=[*:3]

121: [*:1]=[#16X2:2]=[#8:3]

122: [#6X3:1]-[#16X2:2]-[#6X3:3]

123: [#6X3:1]-[#16X2:2]-[#6X4:3]

124: [#6X3:1]-[#16X2:2]-[#1:3]

125: [*:1]~[#15:2]~[*:3]

126: [*:1]-[#6X4:2]-[#6X4:3]-[*:4]

127: [#6X4:1]-[#6X4:2]-[#6X4:3]-[#6X4:4]

128: [#1:1]-[#6X4:2]-[#6X4:3]-[#1:4]

129: [#1:1]-[#6X4:2]-[#6X4:3]-[#6X4:4]

130: [#8X2:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]

131: [#9:1]-[#6X4:2]-[#6X4:3]-[#9:4]

132: [#17:1]-[#6X4:2]-[#6X4:3]-[#17:4]

133: [#35:1]-[#6X4:2]-[#6X4:3]-[#35:4]

134: [#1:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]

135: [#1:1]-[#6X4:2]-[#6X4:3]-[#9:4]

136: [#1:1]-[#6X4:2]-[#6X4:3]-[#17:4]

137: [#1:1]-[#6X4:2]-[#6X4:3]-[#35:4]

138: [*:1]-[#6X4:2]-[#6X4;r3:3]-[*:4]

139: [*:1]-[#6X4:2]-[#6X4;r3:3]-[#6X4;r3:4]

140: [*:1]-[#6X4;r3:2]-@[#6X4;r3:3]-[*:4]

141: [#6X4;r3:1]-[#6X4;r3:2]-[#6X4;r3:3]-[*:4]

142: [*:1]~[#6X3:2]-[#6X4:3]-[*:4]

143: [*:1]-[#6X4:2]-[#6X3:3]=[*:4]

144: [#1:1]-[#6X4:2]-[#6X3:3]=[#8X1:4]

145: [#1:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]

146: [#6X3:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]

147: [#7X3:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]

148: [#6X4:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]

149: [#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#1:4]

150: [#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X4,#7X3:4]

151: [#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X3$(*-[#6X3,#6X2]):4]

152: [*:1]-[#6X4;r3:2]-[#6X3:3]~[*:4]

153: [#6X4:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]

154: [#1:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]

155: [#6X3:1]-[#6X4;r3:2]-[#6X3:3]-[#7X3:4]

156: [#6X3:1]-[#6X4;r3:2]-[#6X3:3]=[#8X1:4]

157: [#6X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]

158: [#7X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]

159: [#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]~[#6X3:4]

160: [#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r6:3]:[#6X3;r6:4]

161: [#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]-;@[#6X3;r5:4]

162: [#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]=;@[#6X3;r5:4]

163: [#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]-[#6X4:4]

164: [#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r6:3]:[#7X2;r6:4]

165: [#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]=[#7X2:4]

166: [#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]-[#8X2:4]

167: [#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]=[#8X1:4]

168: [*:1]~[#6X3:2]-[#6X3:3]~[*:4]

169: [*:1]~[#6X3:2]:[#6X3:3]~[*:4]

170: [*:1]-,:[#6X3:2]=[#6X3:3]-,:[*:4]

171: [#6X4:1]-[#6X3:2]=[#6X3:3]-[#6X4:4]

172: [*:1]~[#6X3:2]-[#6X3$(*=[#8,#16,#7]):3]~[*:4]

173: [#6X3:1]=[#6X3:2]-[#6X3:3]=[#8X1:4]

174: [*:1]~[#7a:2]:[#6a:3]~[*:4]

175: [*:1]-[#6X4:2]-[#7X4:3]-[*:4]

176: [*:1]-[#6X4:2]-[#7X3:3]-[*:4]

177: [#6X4:1]-[#6X4:2]-[#7X4,#7X3:3]-[#6X4:4]

178: [#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]

179: [#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]

180: [!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]

181: [!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]

182: [*:1]-[#7X4:2]-[#6X3:3]~[*:4]

183: [*:1]-[#6X4:2]-[#7X3$(*~[#6X3,#6X2]):3]~[*:4]

184: [*:1]-[#6X4:2]-[#7X3$(*~[#8X1]):3]~[#8X1:4]

185: [#6X3:1]-[#7X3:2]-[#6X4:3]-[#6X3:4]

186: [#6X4:1]-[#6X4:2]-[#7X3:3]-[#6X3:4]=[#8,#16,#7]

187: [#8X2H0:1]-[#6X4:2]-[#7X3:3]-[#6X3:4]

188: [#6X3:1]-[#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]

189: [*:1]~[#7X2:2]-[#6X4:3]-[*:4]

190: [#6X3:1]=[#7X2,#7X3+1:2]-[#6X4:3]-[#1:4]

191: [#6X3:1]=[#7X2,#7X3+1:2]-[#6X4:3]-[#6X3,#6X4:4]

192: [*:1]~[#7X3,#7X2-1:2]-[#6X3:3]~[*:4]

193: [*:1]~[#7X3,#7X2-1:2]-!@[#6X3:3]~[*:4]

194: [#1:1]-[#7X3:2]-[#6X3:3]=[#8,#16,#7:4]

195: [*:1]-[#7X3;r5:2]-@[#6X3;r5:3]~[*:4]

196: [#8X1:1]~[#7X3:2]~[#6X3:3]~[*:4]

197: [*:1]=[#7X2,#7X3+1:2]-[#6X3:3]-[*:4]

198: [*:1]=[#7X2,#7X3+1:2]-[#6X3:3]=,:[*:4]

199: [*:1]~[#7X2,#7X3$(*~[#8X1]):2]:[#6X3:3]~[*:4]

200: [#6X3:1]:[#7X2:2]:[#6X3:3]:[#6X3:4]

201: [*:1]-,:[#6X3:2]=[#7X2:3]-[*:4]

202: [*:1]-[#7X3+1:2]=,:[#6X3:3]-,:[*:4]

203: [#16X4,#16X3+0:1]-[#7X2:2]=[#6X3:3]-[#7X3:4]

204: [#16X4,#16X3+0:1]-[#7X2:2]=[#6X3:3]-[#16X2,#16X3+1:4]

205: [#7X2:1]~[#7X2:2]-[#6X3:3]~[#6X3:4]

206: [#7X2:1]~[#7X2:2]-[#6X4:3]-[#6X3:4]

207: [#7X2:1]~[#7X2:2]-[#6X4:3]~[#1:4]

208: [*:1]-[#6X4:2]-[#8X2:3]-[#1:4]

209: [#6X4:1]-[#6X4:2]-[#8X2H1:3]-[#1:4]

210: [*:1]-[#6X4:2]-[#8X2H0:3]-[*:4]

211: [#6X4:1]-[#6X4:2]-[#8X2H0:3]-[#6X4:4]

212: [#6X4:1]-[#6X4:2]-[#8X2:3]-[#6X3:4]

213: [#6X4:1]-[#8X2:2]-[#6X4:3]-[#8X2:4]

214: [#6X4:1]-[#8X2:2]-[#6X4:3]-[#7X3:4]

215: [#6X3:1]-[#8X2:2]-[#6X4;r3:3]-@[#6X4;r3:4]

216: [#6X3:1]-[#8X2:2]-[#6X4;r3:3]-[#1:4]

217: [#1:1]-[#8X2:2]-[#6X4;r3:3]-[#1:4]

218: [#1:1]-[#8X2:2]-[#6X4;r3:3]-[#6X4:4]

219: [#1:1]-[#8X2:2]-[#6X4;r3:3]-[#6X4;r3:4]

220: [*:1]~[#6X3:2]-[#8X2:3]-[*:4]

221: [*:1]~[#6X3:2]-[#8X2:3]-[#1:4]

222: [*:1]~[#6X3:2](=[#8,#16,#7])-[#8X2H0:3]-[*:4]

223: [*:1]~[#6X3:2](=[#8,#16,#7])-[#8:3]-[#1:4]

224: [#1:1]-[#8X2:2]-[#6X3:3]=[#8X1:4]

225: [#8,#16,#7:1]=[#6X3:2]-[#8X2H0:3]-[#6X4:4]

226: [*:1]-[#8X2:2]@[#6X3:3]~[*:4]

227: [*:1]-[#8X2+1:2]=[#6X3:3]-[*:4]

228: [*:1]=[#8X2+1:2]-[#6:3]~[*:4]

229: [*:1]~[#16:2]=,:[#6:3]~[*:4]

230: [*:1]-[#16X2,#16X3+1:2]-[#6:3]~[*:4]

231: [*:1]-[#16X2,#16X3+1:2]-[#6:3]-[#1:4]

232: [#6X3:1]-@[#16X2,#16X1-1,#16X3+1:2]-@[#6X3,#7X2;r5:3]=@[#6,#7;r5:4]

233: [*:1]~[#16X4,#16X3!+1:2]-[#6X4:3]-[*:4]

234: [#6X4:1]-[#16X4,#16X3+0:2]-[#6X4:3]-[#1:4]

235: [#6X4:1]-[#16X4,#16X3+0:2]-[#6X4:3]~[#6X4:4]

236: [*:1]~[#16X4,#16X3+0:2]-[#6X3:3]~[*:4]

237: [#6:1]-[#16X4,#16X3+0:2]-[#6X3:3]~[*:4]

238: [*:1]~[#15:2]-[#6:3]-[*:4]

239: [*:1]~[#15:2]-[#6X3:3]~[*:4]

240: [*:1]-[#8:2]-[#8:3]-[*:4]

241: [*:1]-[#8:2]-[#8H1:3]-[*:4]

242: [*:1]~[#8X2:2]-[#7:3]~[*:4]

243: [*:1]-[#8X2r5:2]-;@[#7X3r5:3]~[*:4]

244: [*:1]-[#8X2r5:2]-;@[#7X2r5:3]~[*:4]

245: [*:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[*:4]

246: [#1:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#1:4]

247: [#6X4:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#1:4]

248: [#6X4:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#6X4:4]

249: [*:1]-[#7X4,#7X3:2]-[#7X3$(*~[#6X3,#6X2]):3]~[*:4]

250: [*:1]-[#7X3$(*-[#6X3,#6X2]):2]-[#7X3$(*-[#6X3,#6X2]):3]-[*:4]

251: [*:1]-[#7X3$(*-[#6X3,#6X2])r5:2]-@[#7X3$(*-[#6X3,#6X2])r5:3]~[*:4]

252: [*:1]@[#7X2:2]@[#7X2:3]@[#7X2,#6X3:4]

253: [*:1]~[#7X2:2]-[#7X3:3]~[*:4]

254: [*:1]=[#7X2:2]-[#7X2:3]=[*:4]

255: [*:1]~[#7X2:2]=,:[#7X2:3]~[*:4]

256: [*:1]~[#7X3+1:2]=,:[#7X2:3]~[*:4]

257: [*:1]-[#16X2,#16X3+1:2]-[!#6:3]~[*:4]

258: [*:1]~[#16X4,#16X3+0:2]-[#7:3]~[*:4]

259: [#6X4:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4]

260: [#6X3:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4]

261: [#6X4:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4]

262: [#6X3:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4]

263: [#8X1:1]~[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4]

264: [#8X1:1]~[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4]

265: [#6X3:1]-[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4]

266: [#6X4:1]-[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4]

267: [#8X1:1]~[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4]

268: [#8X1:1]~[#16X4,#16X3+0:2]-[#7X3:3]-[#7X2:4]

269: [*:1]~[#16X4,#16X3+0:2]=,:[#7X2:3]-,:[*:4]

270: [#6X4:1]-[#16X4,#16X3+0:2]-[#7X2:3]~[#6X3:4]

271: [#8X1:1]~[#16X4,#16X3+0:2]-[#7X2:3]~[#6X3:4]

272: [*:1]~[#16X4,#16X3+0:2]-[#8X2:3]-[*:4]

273: [*:1]-[#16X2,#16X3+1:2]-[#16X2,#16X3+1:3]-[*:4]

274: [*:1]-[#8X2:2]-[#15:3]~[*:4]

275: [#8X2:1]-[#15:2]-[#8X2:3]-[#6X4:4]

276: [*:1]~[#7X3:2]-[#15:3]~[*:4]

277: [*:1]-[#7:2]-[#15:3]=[*:4]

278: [#6X3:1]-[#7:2]-[#15:3]=[*:4]

279: [*:1]~[#7:2]=[#15:3]~[*:4]

280: [*:1]-[*:2]#[*:3]-[*:4]

281: [*:1]~[*:2]-[*:3]#[*:4]

282: [*:1]~[*:2]=[#6,#7,#16,#15;X2:3]=[*:4]

283: [*:1]~[#6X3:2](~[*:3])~[*:4]

284: [*:1]~[#6X3:2](~[#8X1:3])~[#8:4]

285: [*:1]~[#7X3$(*~[#6X3]):2](~[*:3])~[*:4]

286: [*:1]~[#6X3:2](=[#7X2,#7X3+1:3])~[#7:4]

287: [#1:1]

288: [#1:1]-[#6X4]

289: [#1:1]-[#6X4]-[#7,#8,#9,#16,#17,#35]

290: [#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]

291: [#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])(-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]

292: [#1:1]-[#6X4]~[*+1,*+2]

293: [#1:1]-[#6X3]

294: [#1:1]-[#6X3]~[#7,#8,#9,#16,#17,#35]

295: [#1:1]-[#6X3](~[#7,#8,#9,#16,#17,#35])~[#7,#8,#9,#16,#17,#35]

296: [#1:1]-[#6X2]

297: [#1:1]-[#7]

298: [#1:1]-[#8]

299: [#1:1]-[#16]

300: [#6:1]

301: [#6X2:1]

302: [#6X4:1]

303: [#8:1]

304: [#8X2H0+0:1]

305: [#8X2H1+0:1]

306: [#7:1]

307: [#16:1]

308: [#15:1]

309: [#9:1]

310: [#17:1]

311: [#35:1]

312: [#53:1]

313: [#3+1:1]

314: [#11+1:1]

315: [#19+1:1]

316: [#37+1:1]

317: [#55+1:1]

318: [#9X0-1:1]

319: [#17X0-1:1]

320: [#35X0-1:1]

321: [#53X0-1:1]