/usr/share/openbabel/2.3.2/logp.txt is in libopenbabel4v5 2.3.2+dfsg-2.2build1.
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# Copyright OELIB: OpenEye Scientific Software, Santa Fe,
# U.S.A., 1999,2000,2001
# Copyright JOELIB/JOELib2: Dept. Computer Architecture, University of
# Tuebingen, Germany, 2001,2002,2003,2004,2005
# Copyright JOELIB/JOELib2: ALTANA PHARMA AG, Konstanz, Germany,
# 2003,2004,2005
#
# Authors: Stephen Jelfs
# Joerg Kurt Wegner, me@cheminformatics.eu
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation version 2 of the License.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
######################################################################
# LopP Atomic Contributions
# ref. Wildman, S.A. and Crippen, G.M., J. Chem. Inf. Comput. Sci.,
# 1999, 39, 868-873.
# Table below is adapted from above ref.
######################################################################
;hydrogen
[*] 0.1125
[#6] 0.123
[#1] 0.123
[O][CX4] -0.2677
[O]c -0.2677
[O][#5] -0.2677
[O][#14] -0.2677
[O][#15] -0.2677
[O][#33] -0.2677
[O][#50] -0.2677
[#5] -0.2677
[#14] -0.2677
[#15] -0.2677
[#16] -0.2677
[#50] -0.2677
[#7] 0.2142
[O][#7] 0.2142
[O]C=[#6] 0.298
[O]C=[#7] 0.298
[O]C=O 0.298
[O]C=S 0.298
[O]O 0.298
[O]S 0.298
;heavy
[*] 0
[#6] 0.0813
[CH4] 0.1441
[CH3]C 0.1441
[CH2](C)C 0.1441
[CH](C)(C)C 0
[C](C)(C)(C)C 0
[CH3][O,N,F,Cl,Br,#15,#16,#53;!a] -0.2035
[CH2X4][O,N,F,Cl,Br,#15,#16,#53;!a] -0.2035
[CHX4][O,N,F,Cl,Br,#15,#16,#53;!a] -0.2051
[CH0X4][O,N,F,Cl,Br,#15,#16,#53;!a] -0.2051
[C]=[A!#6] -0.2783
[CH2]=C 0.1551
[CH1](=C)A 0.1551
[CH0](=C)(A)A 0.1551
[C](=C)=C 0.1551
[CX2]#A 0.0017
[CH3]c 0.0845
[CH3][a!#6] -0.1444
[CH2X4]a -0.0516
[CHX4]a 0.1193
[CH0X4]a -0.0967
[c][#5,#14,#15,#33,#34,#50,#80] -0.5443
[c][#9] 0
[c][#17] 0.245
[c][#35] 0.198
[c][#53] 0
[cH] 0.1581
[c](:a)(:a):a 0.2955
[c](:a)(:a)-a 0.2713
[c](:a)(:a)-C 0.136
[c](:a)(:a)-N 0.4619
[c](:a)(:a)-O 0.5437
[c](:a)(:a)-S 0.1893
[c](:a)(:a)=C -0.8186
[c](:a)(:a)=N -0.8186
[c](:a)(:a)=O -0.8186
[C](=C)(a)A 0.264
[C](=C)(c)a 0.264
[CH](=C)a 0.264
[C]=c 0.264
[CX4][!#6;!#7;!#8;!#9;!#15;!#16;!#17;!#35;!#53;!#1] 0.2148
[#7] -0.4806
[NH2+0]A -1.019
[NH+0](A)A -0.7096
[NH2+0]a -1.027
[NH+0](A)a -0.5188
[NH+0](a)a -0.5188
[NH+0]=A 0.0839
[NH+0]=a 0.0839
[N+0](=A)A 0.1836
[N+0](=A)a 0.1836
[N+0](=a)A 0.1836
[N+0](=a)a 0.1836
[N+0](A)(A)A -0.3187
[N+0](a)(A)A -0.4458
[N+0](a)(a)A -0.4458
[N+0](a)(a)a -0.4458
[N+0]#A 0.01508
[NH3+*] -1.95
[NH2+*] -1.95
[NH+*] -1.95
[n+0] -0.3239
[n+*] -1.119
[NH0+*](A)(A)(A)A -0.3396
[NH0+*](=A)(A)A -0.3396
[NH0+*](=A)(A)a -0.3396
[NH0+*](=[#6])=[#7] -0.3396
[N+*]#A 0.2887
[N-*] 0.2887
[N+*](=[N-*])=N 0.2887
[#8] -0.1188
[o] 0.1552
[OH] -0.2893
[OH2] -0.2893
[O](C)C -0.0684
[OH0](C)[A!#6] -0.0684
[OH0]([A!#6])[A!#6] -0.0684
[O]([A;!#1])a -0.4195
[O](a)a -0.4195
[O]=[#8] 0.0335
[O]=[#7] 0.0335
[OX1-*][#7] 0.0335
[OX1-*][#16] -0.3339
[OX1-*][#15;#33;#43;#53] -1.189
[O]=c 0.1788
[O]=[CH]C -0.1526
[O]=C(C)C -0.1526
[O]=[CH0](C)[A;!6] -0.1526
[O]=[CH]N -0.1526
[O]=[CH]O -0.1526
[O]=[CH2] -0.1526
[O]=[CX2]=O -0.1526
[O]=[CH]c 0.1129
[O]=C(C)c 0.1129
[O]=C(c)c 0.1129
[O]=[CH0](c)[a!#6] 0.1129
[O]=[CH0](c)[A!#6] 0.1129
[O]=[CH0](C)[a!#6] 0.1129
[O]=C([A!#6])[A!#6] 0.4833
[O]=C([A!#6])[a!#6] 0.4833
[O]=C([a!#6])[a!#6] 0.4833
[O-1]C(=O) -1.326
[#9-0] 0.4202
[#17-0] 0.6895
[#35-0] 0.8456
[#53-0] 0.8857
[#9-*] -2.996
[#17-*] -2.996
[#35-*] -2.996
[#53-*] -2.996
[#53+*] -2.996
[#15] 0.8612
[S-0] 0.6482
[S-*] -0.0024
[S+*] -0.0024
[s] 0.6237
[B,Si,Ga,Ge,As,Se,Sn,Te,Pb,Nc,Nr,Kr,Xe,Rn] -0.3808
[Fe,Cu,Zn,Tc,Cd,Pt,Au,Hg] -0.0025
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