molparser/utils/abbrevs_example.csv

symbol,smiles
Me,C
Boc,C(=O)OC(C)(C)C
NO2,[N+](=O)[O-]
THP,C1CCCCO1
COOH,C(=O)[OH]
OBn,OCc1ccccc1
CN,C#N
Ph,c1ccccc1
CF3,C(F)(F)F
Bz,C(=O)c1ccccc1
N3,N=[N+]=[N-]
Ac,C(=O)C
CHO,C=O
Bn,Cc1ccccc1
PMB,Cc1ccc(OC)cc1
CO2H,C(=O)[OH]
SEM,COCC[Si](C)(C)C
NHBoc,NC(=O)OC(C)(C)C
COOMe,C(=O)OC
Bpin,B1OC(C)(C)C(C)(C)O1
Cbz,C(=O)OCc1ccccc1
D,[2H]
OMe,OC
CONHtBu,C(=O)NC(C)(C)C
OBz,OC(=O)c1ccccc1
NHAc,NC(=O)C
OCH3,OC
CH3,C
TBS,[Si](C)(C)C(C)(C)C
i-Pr,C(C)C
Et,CC
CD3,C([2H])([2H])[2H]
TBDPS,[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
COOEt,C(=O)OCC
OAc,OC(=O)C
OEt,OCC
SO2Me,S(=O)(=O)C
tBu,C(C)(C)C
NHOH,NO
TFA,C(=O)C(F)(F)F
TIPS,[Si](C(C)C)(C(C)C)C(C)C
Ts,S(=O)(=O)c1ccc(C)cc1
Cy,C1CCCCC1
DMB,Cc1ccc(C)c(C)c1
Mn,[Mg]
Ms,S(C)(=O)=O
OTf,OS(=O)(=O)C(F)(F)F
c-Pr,C1CC1
iPr,C(C)C
CO2Et,C(=O)OCC
CO2Me,C(=O)OC
CoA,CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-]
Cp,C1=CC=CC1
MEM,COCCOC
Ns,S(=O)(=O)c1ccc([N+](=O)[O-])cc1
OMEM,OCOCCOC
SO2NH2,S(N)(=O)=O
SO3H,S(=O)(=O)[OH]
Tr,C(c1ccccc1)(c1ccccc1)c1ccccc1
Trt,C(c1ccccc1)(c1ccccc1)c1ccccc1
BzO,OC(=O)c1ccccc1
C11H23,CCCCCCCCCCC
C12H25,CCCCCCCCCCCC
C14H29,CCCCCCCCCCCCCC
C16H33,CCCCCCCCCCCCCCCC
C18H37,CCCCCCCCCCCCCCCCCC
C20H41,CCCCCCCCCCCCCCCCCCCC
COO-,C(=O)[O-]
H,[H]
NHAlloc,NC(=O)OCC=C
NHTFA,NC(=O)C(F)(F)F
OtBu,OC(C)(C)C
Py,c1ccccn1
STol,Sc1ccc(C)cc1
TBDMS,[Si](C)(C)C(C)(C)C
TBSO,O[Si](C)(C)C(C)(C)C
Tf,S(=O)(=O)C(F)(F)F
t-Bu,C(C)(C)C
Ad,C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3
Alloc,C(=O)OCC=C
BPin,B1OC(C)(C)C(C)(C)O1
BnO,OCc1ccccc1
Bu,CCCC
C7H15,CCCCCCC
CF2,[C](F)F
CONH2,C(N)=O
LysO,ON[C@@H](CCCCN)C(*)=O
MgBr,[Mg]Br
NC,[N+]#[C-]
NCO,N=C=O
NHCH3,NC
NHEt,NCC
NaO,O[Na]
OH,O
OMs,OS(C)(=O)=O
ONa,O[Na]
OTBS,O[Si](C)(C)C(C)(C)C
OTHP,OC1CCCCO1
OTs,OS(=O)(=O)c1ccc(C)cc1
Pd,[Pd]
PhS,Sc1ccccc1
SCN,SC#N
SMe,SC
SO2F,S(=O)(=O)F
Su,N1C(=O)CCC1=O
Zn,[Zn]
boc,C(=O)OC(C)(C)C
n-Bu,CCCC