dGPredictor / data /group_names_TECRDB.txt
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C
C#N
C/C(=C)C
C/C=C
C=C
C=C(C)C
C=C(Cl)Cl
C=C/C
C=C/Cl
C=CC
C=CCl
C=CN
C=C\C
C=C\Cl
C=N
C=NC
C=O
C=[NH+]C
C=[NH2+]
CC
CC(=C)C
CC(=C)N
CC(=C)O
CC(=O)O
CC(=O)S
CC(=O)[O-]
CC(C)(C)C
CC(C)(C)O
CC(C)(C)S
CC(C)(C)[NH3+]
CC(C)(O)O
CC(C)=C
CC(C)=N
CC(C)=O
CC(C)=[NH+]
CC(C)C
CC(C)Cl
CC(C)N
CC(C)O
CC(C)S
CC(C)[NH2+]
CC(C)[NH3+]
CC(Cl)(Cl)Cl
CC(Cl)Cl
CC(N)=O
CC(N)N
CC(N)O
CC(O)O
CC([n+])O
CC(n)=O
CC(n)O
CC=C
CC=N
CC=O
CCC
CCCl
CCN
CCO
CCP
CCS
CC[N+]
CC[NH+]
CC[NH2+]
CC[NH3+]
CCc
CCl
CCn
CN
CN(C)C
CN(c)C
CNC
CNP
CO
COC
COP
CP(=O)([O-])O
CS
CS(=O)(=O)[O-]
CS(C)=O
CSC
CSS
C[C@@H](C)C
C[C@@H](C)N
C[C@@H](C)O
C[C@@H](C)[NH2+]
C[C@@H](C)[NH3+]
C[C@@H](N)O
C[C@@H](O)O
C[C@@H](c)[NH3+]
C[C@@](C)(C)C
C[C@@](C)(C)O
C[C@@](C)(O)O
C[C@H](C)C
C[C@H](C)N
C[C@H](C)O
C[C@H](C)[NH+]
C[C@H](C)[NH2+]
C[C@H](C)[NH3+]
C[C@H](N)O
C[C@H](N)S
C[C@H](O)O
C[C@H]([n+])O
C[C@H](n)O
C[C@](C)(C)C
C[C@](C)(C)O
C[C@](C)(O)O
C[N+]
C[N+](C)(C)C
C[N+](C)(C)[O-]
C[NH+]
C[NH+](C)C
C[NH2+]
C[NH2+]C
C[NH3+]
C[O-]
C[S-]
C[n+]
Cc(c)[nH+]
Cc(c)[nH]
Cc(c)c
Cc(c)n
Cc(n)[nH]
Cc(n)n
ClC(Cl)(Cl)Cl
ClC(Cl)Cl
ClCCl
Cn(c)c
N#C[O-]
N#C[S-]
N#N
N=C(N)N
N=CN
N=O
NC(=O)O
NC(=O)[O-]
NC(N)=O
NC(N)=[NH2+]
NC=O
NC=[N+]
NC=[NH+]
NCN
NN
NO
NP(=O)([O-])[O-]
O
O=C([O-])O
O=C=O
O=CO
O=CS
O=C[O-]
O=NO
O=O
O=P
O=P([O-])(O)O
O=P([O-])([O-])O
O=S
O=S(=O)([O-])O
O=S(=O)([O-])[O-]
O=S([O-])O
O=S=O
O=[N+]([O-])[O-]
OO
OP
OS
POP
POS
S
[C-]#[O+]
[Fe+2]
[Fe]
[Mg+2]
[Mn]
[N+]=O
[N+][O-]
[N-]=[N+]
[N-]=[N+]=O
[NH3+]CS
[NH4+]
[N]=O
[O-]P
[O-]S
[SH-]
[n+]cs
[nH]c([nH])=O
[nH]c[nH+]
c-c(c)c
c-c(c)n
c-c(n)n
c/C=C
c=O
cBr
cC
cC(=O)[O-]
cC(C)=O
cC(N)=O
cC=C
cC=O
cCC
cCN
cCO
cC[NH3+]
cC[n+]
cCc
cCl
cF
cI
cN
cN(C)C
cN(c)C
cN=C
cNC
cNc
cO
cOC
c[C@@H](C)C
c[C@@H](C)O
c[C@H](C)[NH3+]
c[N+](=C)C
c[n+](c)C
c[n-]c
c[nH+]c
c[nH]c
cc(C)[n+]
cc(C)n
cc(C)s
cc(N)[nH]
cc(N)n
cc([n-])=O
cc([nH])=O
cc([nH])[nH]
cc(c)Br
cc(c)C
cc(c)Cl
cc(c)F
cc(c)I
cc(c)N
cc(c)O
cc(c)[N+]
cc(c)[n-]
cc(c)[nH]
cc(c)c
cc(c)n
cc(n)=O
cc(n)N
cc(n)[nH]
cc(n)n
cc[n+]
cc[nH+]
cc[nH]
ccc
ccn
ccs
cn(c)C
cnc
csc
nc(N)[nH]
nc([n-])=O
nc([nH])=O
nc(n)=O
nc[nH+]
nc[nH]
ncn
ncs