Appendix - Design and Use of Relational Databases in Chemistry - page 187

Table A.4 SMARTS and Bit Position for public166keys (Continued)

SMARTS abit Description

[!#6]~[!#6].[!#6]~[!#6] 130 QQ>1

[!#6!H0].[!#6!H0] 131 QH>1

[#8]~*~[CH2]~* 132 OACH2A

*@*!@[#7] 133 A$A!N

[F,Cl,Br,I] 134 X(HALOGEN)

[#7]!:*:* 135 Nnot%A%A

O=*.O=* 136 O=A>1

[!#6R] 137 HETEROCYCLE

[!#6][#6H2]*.[!#6][#6H2]* 138 QCH2A>1

[OH] 139 OH

[#8].[#8].[#8].[#8] 140 O>3

[CH3].[CH3].[CH3] 141 CH3>2

[#7].[#7] 142 N>1

*@*!@[#8] 143 A$A!O

*!:*:*!:* 144 Anot%A%Anot%A

*~1~*~*~*~*~*1.*~1~*~*~*~*~*1 145 6MRING>1

[#8].[#8].[#8] 146 O>2

*~[#6H2]~[#6H2]~* 147 ACH2CH2A

*~[!#6](~*)~* 148 AQ(A)A

[CH3].[CH3] 149 CH3>1

*!@*@*!@* 150 A!A$A!A

[#7H] 151 NH

[#8]~[#6](~[#6])~[#6] 152 OC(C)C

[!#6][#6H2]* 153 QCH2A

[#6]=[#8] 154 C=O

*~!@[CH2&!R]~!@* 155 A!CH2!A

[#7]~*(~*)~* 156 NA(A)A

[#6]-[#8] 157 C-O

[#6]-[#7] 158 C-N

[#8].[#8] 159 O>1

[CH3] 160 CH3

[#7] 161 N

a 162 AROM

*~1~*~*~*~*~*1 163 6MRING

[#8] 164 O

[R] 165 RING

(*).(*) 166 FRAGMENT