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-649071.75
] | [
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[H+:28].[H:10][c:9]1[c:8]([c:7]2[c:6]([c:5]([c:4]1[N+:2](=[O:1])[O-:3])[H:45])[C:31](=[C:30]3[C@:13]([O:12]2)([C:37]([C:36]([C:35]([C:33]3([H:34])[H:44])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])[N:14]([C:20]([H:21])([H:22])[C-:19]([H:23])[H:24])[C:15]([H:16])([H:29])[C:17](=[C:18]([H:25])[H:26])[H:27])[H:32])[H:11] | [
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... | [
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[H+:15].[H:14][C:12]1=[C-:11][C:10](=[C:9]([C:8]2=[C:13]1[C:5](=[C:6]([N:7]2[C:18]([H:19])([H:20])[C:21](=[O:22])[N:23]([H:24])[C:25]([H:26])([H:39])/[C:27](=[O+:36]/[C:34]([H:35])([H:37])[C:31]([H:32])([H:33])[C-:28]([H:29])[H:30])/[H:38])[H:40])[C:3](=[O:4])[C:2]([H:41])([H:42])[C:1]([H:43])([H:44])[H:45])[H:17])[H:1... | [
5.099625110626221,
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[H:40][c:7]1[c:8]([c:9]([c:10]([c:11]([c:6]1[C:5]([H:45])([C:1]([H:2])([H:3])[H:4])[C:41]([H:42])([H:43])[H:44])[H:12])[C:13]([H:22])([C:14]([H:15])([H:16])[H:17])[C:18]([H:19])([H:20])[H:21])[O:23][H:24])[C:25](=[O:26])[N:27]([H:39])/[N:28]=[C:29](\[H:38])/[C:30]2=[C:31]([O:32][C:33](=[C:34]2[H:35])[H:36])[H:37] | [
-0.0810369998216629,
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] | [
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[H:40][c:7]1[c:6]([c:5]([c:4]2[c:9]([c:8]1[H:39])[c:10]([c:11]([c:2]([n:3]2)[C:1]([H:43])([H:44])[H:45])[H:12])[C:13](=[O:14])[O:15][C:16]([H:17])([H:18])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:25])[C:26]([H:27])([H:28])[C:29]([H:38])([C:30]([H:31])([H:32])[H:33])[C:34]([H:35])([H:36])[H:37])[H:42])[H:41] | [
-2.4220120906829834,
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... | [
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] | [
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[H:33][c:28]1[c:29]([c:30]([c:25]([c:26]([c:27]1[H:34])[H:35])[C:24]([H:36])([H:37])[C:23]([H:38])([H:39])[N:21]([H:22])[C:20]([H:40])([H:41])[c:7]2[c:6]([c:5]([c:4]([c:9]([c:8]2[H:19])[O:10][C:11]([H:17])([H:18])[C:12](=[O:13])[N:14]([H:15])[H:16])[O:3][C:1]([H:2])([H:44])[H:45])[H:43])[H:42])[H:31])[H:32] | [
2.2221579551696777,
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-649055.125
] | [
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[H+:42].[H:27][c:21]1[c:22]([c:23]2[c:18]([c:19]([c:20]1[C:28]([H:29])([H:30])[H:31])[H:32])[C:17](=[C:16]([N:24]2[H:25])[C:14](=[O:15])[N:13]3[C:12]([C:9]([C:8](=[C:6]=[O:7])[C:35]([C:34]3([H:38])[H:39])([H:36])[H:37])([H:10])[H:11])([H:40])[H:41])[H:33])[H:26].[H:43][C:1]([H:44])([H:45])[C:2]([H:3])([H:4])[O-:5] | [
-5.195131778717041,
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-648774.6875
] | [
-144.91334533691406,
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225.3... |
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