<PAD>
?
^
&
<MASK>
<SEP>
LogD_change_(-0.1, 0.1]
LogD_change_(0.1, 0.3]
LogD_change_(0.3, 0.5]
LogD_change_(0.5, 0.7]
LogD_change_(0.7, 0.9]
LogD_change_(0.9, 1.1]
LogD_change_(1.1, 1.3]
LogD_change_(1.3, 1.5]
LogD_change_(1.5, 1.7]
LogD_change_(1.7, 1.9]
LogD_change_(1.9, 2.1]
LogD_change_(2.1, 2.3]
LogD_change_(2.3, 2.5]
LogD_change_(2.5, 2.7]
LogD_change_(2.7, 2.9]
LogD_change_(2.9, 3.1]
LogD_change_(3.1, 3.3]
LogD_change_(3.3, 3.5]
LogD_change_(3.5, 3.7]
LogD_change_(3.7, 3.9]
LogD_change_(3.9, 4.1]
LogD_change_(4.1, 4.3]
LogD_change_(4.3, 4.5]
LogD_change_(4.5, 4.7]
LogD_change_(4.7, 4.9]
LogD_change_(4.9, 5.1]
LogD_change_(5.1, 5.3]
LogD_change_(5.3, 5.5]
LogD_change_(5.5, 5.7]
LogD_change_(5.7, 5.9]
LogD_change_(5.9, inf]
LogD_change_(-0.3, -0.1]
LogD_change_(-0.5, -0.3]
LogD_change_(-0.7, -0.5]
LogD_change_(-0.9, -0.7]
LogD_change_(-1.1, -0.9]
LogD_change_(-1.3, -1.1]
LogD_change_(-1.5, -1.3]
LogD_change_(-1.7, -1.5]
LogD_change_(-1.9, -1.7]
LogD_change_(-2.1, -1.9]
LogD_change_(-2.3, -2.1]
LogD_change_(-2.5, -2.3]
LogD_change_(-2.7, -2.5]
LogD_change_(-2.9, -2.7]
LogD_change_(-3.1, -2.9]
LogD_change_(-3.3, -3.1]
LogD_change_(-3.5, -3.3]
LogD_change_(-3.7, -3.5]
LogD_change_(-3.9, -3.7]
LogD_change_(-4.1, -3.9]
LogD_change_(-4.3, -4.1]
LogD_change_(-4.5, -4.3]
LogD_change_(-4.7, -4.5]
LogD_change_(-4.9, -4.7]
LogD_change_(-5.1, -4.9]
LogD_change_(-5.3, -5.1]
LogD_change_(-5.5, -5.3]
LogD_change_(-5.7, -5.5]
LogD_change_(-inf, -5.7]
Solubility_low->high
Solubility_high->low
Solubility_no_change
Clint_low->high
Clint_high->low
Clint_no_change
<4>
<5>
<6>
<7>
<8>
<9>
<10>
<11>
<12>
<13>
<14>
<15>
<16>
<pXC50>
<MMP13>
<GNRHR>
<CDK2>
<HTR7>
<HPGD>
<SLC6A2>
<VDR>
<PTPN1>
<MAPK8>
<PRKACA>
<CYP19A1>
<MAPK14>
<ESR1>
<GRM5>
<KDR>
<MMP9>
<IGF1R>
<PPARG>
<ADRB2>
<DYRK1A>
<EGFR>
<SCN9A>
<CA9>
<HTR2A>
<HSP90AA1>
<CCR2>
<F10>
<ADRA1D>
<CTSK>
<EPHX2>
<HSD11B1>
<CHRM3>
<PGR>
<OPRD1>
<MAPKAPK2>
<MET>
<TACR1>
<FAAH>
<EDNRA>
<JAK3>
<CA2>
<PTGS2>
<ALOX5>
<S1PR1>
<DHFR>
<ADRB1>
<MMP3>
<HTR6>
<ALK>
<GHSR>
<NR3C1>
<F2>
<ADRA1A>
<TRPV1>
<PRKCD>
<CDK1>
<CNR2>
<MTOR>
<GSK3A>
<AR>
<AKT2>
<HDAC1>
<AURKB>
<NPY5R>
<LCK>
<ITK>
<PIM1>
<ACHE>
<CA1>
<ADORA2A>
<AKT1>
<PPARA>
<OPRM1>
<FLT1>
<INSR>
<PIK3CA>
<CCKBR>
<HTR2C>
<ADORA2B>
<MC4R>
<FGFR1>
<CHRM2>
<MAPK9>
<SIGMAR1>
<ROCK2>
<PDGFRB>
<ROCK1>
<CHEK1>
<DRD3>
<CRHR1>
<PPARD>
<DRD4>
<CCR5>
<MAOB>
<PTGDR2>
<DPP4>
<CNR1>
<CLK4>
<DRD1>
<CSF1R>
<KIT>
<OPRK1>
<FLT3>
<CA12>
<ABL1>
<OPRL1>
<CTSS>
<ADORA3>
<ESR2>
<MCHR1>
<PLK1>
<P2RX7>
<KCNH2>
<REN>
<MMP1>
<AURKA>
<SRC>
<CHRNA7>
<ADRB3>
<JAK2>
<ADAM17>
<PARP1>
<NTRK1>
<PIM2>
<MMP2>
<SLC6A3>
<BACE1>
<HRH3>
<PDE5A>
<GSK3B>
<CASP1>
<ERBB2>
<CHRM1>
<Lipo>
<ESOL>
<FreeS>
<UNUSED_150>
<UNUSED_151>
<UNUSED_152>
<UNUSED_153>
<UNUSED_154>
<UNUSED_155>
<UNUSED_156>
<UNUSED_157>
<UNUSED_158>
<UNUSED_159>
<UNUSED_160>
<UNUSED_161>
<UNUSED_162>
<UNUSED_163>
<UNUSED_164>
<UNUSED_165>
<UNUSED_166>
<UNUSED_167>
<UNUSED_168>
<UNUSED_169>
<UNUSED_170>
<UNUSED_171>
<UNUSED_172>
<UNUSED_173>
<UNUSED_174>
<UNUSED_175>
<UNUSED_176>
<UNUSED_177>
<UNUSED_178>
<UNUSED_179>
<UNUSED_180>
<UNUSED_181>
<UNUSED_182>
<UNUSED_183>
<UNUSED_184>
<UNUSED_185>
<UNUSED_186>
<UNUSED_187>
<UNUSED_188>
<UNUSED_189>
<UNUSED_190>
<UNUSED_191>
<UNUSED_192>
<UNUSED_193>
<UNUSED_194>
<UNUSED_195>
<UNUSED_196>
<UNUSED_197>
<UNUSED_198>
<UNUSED_199>
C
c
1
(
-
2
s
N
=
)
n
Br
3
O
[nH]
[C@H]
/
\
[C@@H]
[C@]
o
4
[C@@]
5
6
7
[n+]
.
[Br-]
S
I
F
Cl
[O-]
#
P
[Na+]
[N+]
[Cl-]
8
[Si]
[N-]
[18F]
9
[I-]
B
[S+]
[2H]
[P+]
[125I]
%10
%11
[n-]
[B-]
[O]
[o+]
[N@@+]
[N@+]
[PH]
[se]
[Se]
[s+]
[Li+]
[P@]
[P@@]
[3H]
[K+]
[OH-]
[te+]
[se+]
[Te]
[S@+]
[BH2-]
[11CH3]
[11C]
[Cl+3]
[N@@]
[S-]
[C+]
[P@+]
[C-]
[Zn+2]
[Ca+2]
[Mg+2]
[SeH]
[BH-]
[SH2]
[TeH2]
[SiH4]
[N@]
[14CH2]
[Ag]
[S@@+]
[I+]
[MgH2]
[125IH]
[Se+]
[As]
[SiH2]
[Ra]
[IH2]
[P-]
[Na]
[NH-]
[Cs]
[Zn]
[Li]
[As+]
[te]
[131I]
[Ag+]
p
[Al-3]
[Rb+]
[13CH]
[11CH]
[11CH2]
[14c]
[14C@@]
[127I]
[Mg]
[14C]
[123I]
[124I]
[F-]
[14CH3]
[135I]
%12
[NH+]
[76Br]
[32PH]
[35S]
b
[73Se]
[11C@@H]
[Se-]
[c+]
[14C@H]
[18OH]
[SH]
[S@@]
[Cs+]
[He]
[O+]
[nH+]
[NH2+]
[32P]
[Zn+]
[BH3-]
[I+3]
[Si-]
[SH+]
[19F]
[Br+2]
[I+2]
[Al+3]
[123I-]
[131I-]
[127Xe]
[133Xe]
[89Sr+2]
[N]
[82Rb+]
[75Se]
[Rb]
[81Kr]
[18F-]
[13NH3]
[K]
[Cl+2]
[Zn-2]
[SeH2]
[AsH3]
[Kr]
[Xe]
[S@]
[cH-]
[NH4+]
[Al]
[Si@]
[15n]
[SH-]
[SiH]
[11c]
[OH]
[c-]
[18FH]
[123IH]
[13c]
[13cH]
[14cH]
[Cl+]
[Sr+2]
[CH-]
[Bi]
[B]
[Ba+2]
[Bi+3]
[SiH-]
[b-]
[H+]
[13C]
[OH+]
[14CH]
[15nH]
[CaH2]
[LiH]
[C]
[Ca]
[42K+]
[123Te]
[S-2]
[223Ra+2]
[S]
[Ra+2]
[22Na+]
[125I-]
[85Sr+2]
[PH2]
[SrH2]
[15OH2]
[47Ca+2]
[85SrH2]
[45Ca+2]
[B@@-]
[B@-]
[17F]
[PH2+]
[11C-]
[Mg+]
[NaH]
[P@@+]
[SiH3-]
[P-3]
[KH]
[Be+2]
[NH3+]
[Ag-4]
[18O]
[14C@@H]
[CH]
[CH2]
[O-2]
[124I-]
[As-]
[Ba]
[223Ra]
[82Rb]
[76BrH]
[AsH]
[131Cs]
