Appendix - Design and Use of Relational Databases in Chemistry - page 184

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

SMARTS abit Description

[#8]~[#7](~[#6])~[#6] 13 ON(C)C

S-S 14 S-S

[#8]~[#6](~[#8])~[#8] 15 OC(O)O

[!#6]~1~*~*~1 16 QAA@1

C#C 17 CTC

[B,Al,Ga,In,Tl] 18 GROUPIIIA

*~1~*~*~*~*~*~*~1 19 7MRING

[Si] 20 Si

C=C(~[!#6])~[!#6] 21 C=C(Q)Q

*~1~*~*~1 22 3MRING

[#7]~[#6](~[#8])~[#8] 23 NC(O)O

[#7]-[#8] 24 N-O

[#7]~[#6](~[#7])~[#7] 25 NC(N)N

[#6]@=[#6](@*)@* 26 C$=C($A)$A

I 27 I

[!#6]~[CH2]~[!#6] 28 QCH2Q

[#15] 29 P

[#6]~[!#6](~[#6])(~[#6])~* 30 CQ(C)(C)A

[!#6]~[F,Cl,Br,I] 31 QX

[#6]~[#16]~[#7] 32 CSN

[#7]~[#16] 33 NS

[CH2]=* 34 CH2=A

[Li,Na,K,Rb,Cs,Fr] 35 GROUPIA

[#16&R] 36 SHETEROCYCLE

[#7]~[#6](~[#8])~[#7] 37 NC(O)N

[#7]~[#6](~[#6])~[#7] 38 NC(C)N

[#8]~[#16](~[#8])~[#8] 39 OS(O)O

[#16]-[#8] 40 S-O

C#N 41 CTN

F 42 F

[!#6&!H0]~*~[!#6&!H0] 43 QHAQH

[!#6!#7!#8!#15!#16!#9!#17!#35] 44 OTHER

C=C~[#7] 45 C=CN

Br 46 BR

[#16]~*~[#7] 47 SAN

[#8]~[!#6](~[#8])~[#8] 48 OQ(O)O

[!+0] 49 CHARGE

C=C(~[#6])~[#6] 50 C=C(C)C

[#6]~[#16]~[#8] 51 CSO