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Fix capitalization in compound names
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@davidlmobley
davidlmobley committed Sep 15, 2016
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10 changes: 5 additions & 5 deletions paper/benchmarkset.tex
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Expand Up @@ -371,13 +371,13 @@ \subsubsection{Cucurbiturils}
\midrule

1 & memantine & 4054 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/4054.pdf}} & CC12CC3CC(C1)(CC(C3)(C2)N)C & -5.99 \pm 0.05 & \kern-1em {$^{\rm d}$} \\
3 & 1,3-Bis(trimethylaminio)adamantane & 101379195 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/101379195.pdf}} & C[N+](C)(C)C12CC3CC(C1)CC(C3)(C2)[N+](C)(C)C & -6.55 \pm 0.05 & \kern-1em {$^{\rm d}$} \\
5 & N-(1-Adamantyl)ethylenediamine & 303798 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/303798.pdf}} & C1C2CC3CC1CC(C2)(C3)NCCN & -18.22 \pm 0.09 & \kern-1em {$^{\rm e}$} \\
3 & 1,3-bis(trimethylaminio)adamantane & 101379195 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/101379195.pdf}} & C[N+](C)(C)C12CC3CC(C1)CC(C3)(C2)[N+](C)(C)C & -6.55 \pm 0.05 & \kern-1em {$^{\rm d}$} \\
5 & N-(1-adamantyl)ethylenediamine & 303798 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/303798.pdf}} & C1C2CC3CC1CC(C2)(C3)NCCN & -18.22 \pm 0.09 & \kern-1em {$^{\rm e}$} \\
17 & adamantane-1,3-diamine & 213512 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/213512.pdf}} & C1C2CC3(CC1CC(C2)(C3)N)N & -11.33 \pm 0.05 & \kern-1em {$^{\rm d}$} \\
18 & 1-Adamantanecarboxylic acid & 13235 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/13235.pdf}} & C1C2CC3CC1CC(C2)(C3)C(=O)O & -11.59 \pm 0.06 & \kern-1em {$^{\rm d}$} \\
18 & 1-adamantanecarboxylic acid & 13235 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/13235.pdf}} & C1C2CC3CC1CC(C2)(C3)C(=O)O & -11.59 \pm 0.06 & \kern-1em {$^{\rm d}$} \\
22 & 1-Adamantyltrimethylaminium & 3010127 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/3010127.pdf}} & C[N+](C)(C)C12CC3CC(C1)CC(C3)C2 & -16.66 \pm 0.08 & \kern-1em {$^{\rm d}$} \\
23 & amantadine & 2130 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/2130.pdf}} & C1C2CC3CC1CC(C2)(C3)N & -17.19 \pm 0.08 & \kern-1em {$^{\rm d}$} \\
24 & N-(1-Adamantyl)pyridinium & 3848257 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/3848257.pdf}} & C1C2CC3CC1CC(C2)(C3)[N+]4=CC=CC=C4 & -16.75 \pm 0.07 & \kern-1em {$^{\rm d}$} \\
24 & N-(1-adamantyl)pyridinium & 3848257 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/3848257.pdf}} & C1C2CC3CC1CC(C2)(C3)[N+]4=CC=CC=C4 & -16.75 \pm 0.07 & \kern-1em {$^{\rm d}$} \\

\bottomrule
\end{tabular}\\
Expand All @@ -399,7 +399,7 @@ \subsubsection{Cucurbiturils}
2 & dopamine & 681 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/681.pdf}} & C1=CC(=C(C=C1CCN)O)O & -6.31 \pm 0.05 \\
4 & o-phenylenediamine & 7243 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/7243.pdf}} & C1=CC=C(C(=C1)N)N & -6.68 \pm 0.05 \\
5 & m-phenylenediamine & 7935 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/7935.pdf}} & C1=CC(=CC(=C1)N)N & -6.69 \pm 0.02 \\
7 & 4-(Aminomethyl)pyridine & 77317 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/77317.pdf}} & C1=CN=CC=C1CN & -7.56 \pm 0.06 \\
7 & 4-(aminomethyl)pyridine & 77317 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/77317.pdf}} & C1=CN=CC=C1CN & -7.56 \pm 0.06 \\
8 & p-phenylenediamine & 7814 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/7814.pdf}} & C1=CC(=CC=C1N)N & -8.60 \pm 0.06 \\
9 & p-toluidine & 7813 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/7813.pdf}} & CC1=CC=C(C=C1)N & -9.43 \pm 0.05 \\
20 & p-xylylenediamine & 68315 & \parbox[c]{1em}{\includegraphics[scale=0.2]{figures/68315.pdf}} & C1=CC(=CC=C1CN)CN & -12.62 \pm 0.06 \\
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