EVODEX.1-Cm83

SMIRKS

[#6:18]-[#8:20]>>[#7]-[#6:18].[H]-[#8:20]

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EVODEX.1-P5064

[N:14]([C:15]([C:16]([C:17]([C:18]([C@:19]([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25]([C:26]([C:27]([N:28]([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35](=[O:36])[O:37][H:71])([H:72])[H:73])([H:74])[H:75])([N:38]([C:39](=[O:40])[O:41][C:42]([C:43]1:[C:44]([H:76]):[C:45]([H:77]):[C:46]([H:78]):[C:47]([H:79]):[C:48]:1[H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])([C:49](=[O:50])[O:51][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99]>>[H]C1:C(N([H])[C:49]([C@:19]([C:18]([C:17]([C:16]([C:15]([N:14]([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25]([C:26]([C:27]([N:28]([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35](=[O:36])[O:37][H:71])([H:72])[H:73])([H:74])[H:75])([N:38]([C:39](=[O:40])[O:41][C:42]([C:43]2:[C:44]([H:76]):[C:45]([H:77]):[C:46]([H:78]):[C:47]([H:79]):[C:48]:2[H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:89])=[O:50]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:51][H:88]

EVODEX.1-P5070

[N:14](=[C:15]([N:16]([H:45])[H:46])[N:17]([C:18]([C:19]([C:20]([C@:21]([N:22]([C:23](=[O:24])[O:25][C:26]([C:27]1:[C:28]([H:47]):[C:29]([H:48]):[C:30]([H:49]):[C:31]([H:50]):[C:32]:1[H:51])([H:52])[H:53])[H:54])([C:33](=[O:34])[O:35][H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])[H:64]>>[H]C1:C(N([H])[C:33]([C@:21]([C:20]([C:19]([C:18]([N:17]([C:15](=[N:14][H:64])[N:16]([H:45])[H:46])[H:63])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:22]([C:23](=[O:24])[O:25][C:26]([C:27]2:[C:28]([H:47]):[C:29]([H:48]):[C:30]([H:49]):[C:31]([H:50]):[C:32]:2[H:51])([H:52])[H:53])[H:54])[H:56])=[O:34]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:35][H:55]

EVODEX.1-P5075

[N:14](=[C:15]([N:16]([H:43])[H:44])[N:17]([C:18]([C:19]([C:20]([C:21]([N:22]([C:23](=[O:24])[C:25]1:[C:26]([H:45]):[C:27]([H:46]):[C:28]([H:47]):[C:29]([H:48]):[C:30]:1[H:49])[H:50])([C:31](=[O:32])[O:33][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])[H:59])[H:60]>>[H]C1:C(N([H])[C:31]([C:21]([C:20]([C:19]([C:18]([N:17]([C:15](=[N:14][H:60])[N:16]([H:43])[H:44])[H:59])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([N:22]([C:23](=[O:24])[C:25]2:[C:26]([H:45]):[C:27]([H:46]):[C:28]([H:47]):[C:29]([H:48]):[C:30]:2[H:49])[H:50])[H:52])=[O:32]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:33][H:51]

EVODEX.1-P5077

[N:14](=[C:15]([N:16]([H:53])[H:54])[N:17]([C:18]([C:19]([C:20]([C@:21]([N:22]([C:23](=[O:24])[C@:25]1([H:55])[C:26]([H:56])([H:57])[C:27]([H:58])([H:59])[C:28]([H:60])([H:61])[N:29]1[C:30](=[O:31])[C@@:32]([N:33]([H:62])[H:63])([C:34]([C:35]1:[C:36]([H:64]):[C:37]([H:65]):[C:38]([H:66]):[C:39]([H:67]):[C:40]:1[H:68])([H:69])[H:70])[H:71])[H:72])([C:41](=[O:42])[O:43][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])[H:81])[H:82]>>[H]C1:C(N([H])[C:41]([C@:21]([C:20]([C:19]([C:18]([N:17]([C:15](=[N:14][H:82])[N:16]([H:53])[H:54])[H:81])([H:79])[H:80])([H:77])[H:78])([H:75])[H:76])([N:22]([C:23](=[O:24])[C@:25]2([H:55])[C:26]([H:56])([H:57])[C:27]([H:58])([H:59])[C:28]([H:60])([H:61])[N:29]2[C:30](=[O:31])[C@@:32]([N:33]([H:62])[H:63])([C:34]([C:35]2:[C:36]([H:64]):[C:37]([H:65]):[C:38]([H:66]):[C:39]([H:67]):[C:40]:2[H:68])([H:69])[H:70])[H:71])[H:72])[H:74])=[O:42]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:43][H:73]

EVODEX.1-P5217

[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([C:10]1:[C:11]([H:55]):[C:12]([H:56]):[C:13]([H:57]):[C:14]([H:58]):[C:15]:1[H:59])([H:60])[H:61])([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:62]):[C:21]([H:63]):[C:22]([H:64]):[C:23]([H:65]):[C:24]:1[H:66])[H:67])[H:68])[H:69])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31]([N:32]([C:33](=[N:34][H:70])[N:35]([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([C:36](=[O:37])[O:38][H:80])[H:81])[H:82])[H:83])[H:84])([H:85])([H:86])[H:87]>>[H]C1:C(N([H])[C:36]([C@@:28]([N:27]([C:25]([C@:4]([C:2]([C:1]([H:85])([H:86])[H:87])([C:3]([H:52])([H:53])[H:54])[H:84])([N:5]([C:6](=[O:7])[C@:8]([C:9]([C:10]2:[C:11]([H:55]):[C:12]([H:56]):[C:13]([H:57]):[C:14]([H:58]):[C:15]:2[H:59])([H:60])[H:61])([N:16]([C:17](=[O:18])[C:19]2:[C:20]([H:62]):[C:21]([H:63]):[C:22]([H:64]):[C:23]([H:65]):[C:24]:2[H:66])[H:67])[H:68])[H:69])[H:83])=[O:26])[H:82])([C:29]([C:30]([C:31]([N:32]([C:33](=[N:34][H:70])[N:35]([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[H:81])=[O:37]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:38][H:80]

EVODEX.1-P5449

[C:15]([C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([H:32])([H:33])[H:34])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])=[O:21])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:22][H:23]

EVODEX.1-P5451

[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[O:7])[O:8][H:23])([H:24])[H:25])[H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])[H:27])[H:26])([H:24])[H:25])=[O:7])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:8][H:23]

EVODEX.1-P5467

[O:15]=[C:16]([O:17][H:38])[C:18]([C:19]1:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:1[O:25][H:43])([H:44])[H:45]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:16](=[O:15])[C:18]([C:19]3:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:3[O:25][H:43])([H:44])[H:45])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:17][H:38]

EVODEX.1-P5470

[C:15]([C:16]([C:17]([O:18][C:19]([C:20](=[O:21])[O:22][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32]>>[H]OC(=O)C1([H])N2C(=O)C([H])(N([H])[C:20]([C:19]([O:18][C:17]([C:16]([C:15]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])=[O:21])C2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:22][H:23]

EVODEX.1-P5472

[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4]([O:5][C:6]([C:7](=[O:8])[O:9][H:39])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47]>>[H]OC(=O)C1([H])N2C(=O)C([H])(N([H])[C:7]([C:6]([O:5][C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:36])([H:37])[H:38])[H:44])([H:42])[H:43])([H:40])[H:41])=[O:8])C2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:9][H:39]

EVODEX.1-P5573

[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45](=[O:46])[O:47][H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])([H:131])[H:132]>>[H]OC([H])([H])C([H])(N([H])[C:45]([C:44]([C:43]([C:42]([C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:130])([H:131])[H:132])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])=[O:46])C([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[H][O:47][H:85]

EVODEX.1-P5586

[O:22]=[C:23]([O:24][H:86])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111]>>[H]OC([H])([H])[C@]([H])(N([H])[C:23](=[O:22])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])[C@]([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[H][O:24][H:86]

EVODEX.1-P5592

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EVODEX.1-P5597

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EVODEX.1-P5601

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EVODEX.1-P5674

[O:2]=[C:3]([O:4][H:13])[C:5]([C:6]([O:7][H:14])([C:8]([Cl:9])([H:15])[H:16])[H:17])([H:18])[H:19]>>[H]N([H])[C:3](=[O:2])[C:5]([C:6]([O:7][H:14])([C:8]([Cl:9])([H:15])[H:16])[H:17])([H:18])[H:19].[H][O:4][H:13]

EVODEX.1-P5676

[O:2]=[C:3]([O:4][H:10])[C:5]([Cl:6])([H:11])[H:12]>>[H]N([H])[C:3](=[O:2])[C:5]([Cl:6])([H:11])[H:12].[H][O:4][H:10]

EVODEX.1-P5678

[N:2]([C:3](=[O:4])[C:5]([C:6](=[O:7])[O:8][H:9])([H:10])[H:11])([H:12])[H:13]>>[H]N([H])[C:6]([C:5]([C:3]([N:2]([H:12])[H:13])=[O:4])([H:10])[H:11])=[O:7].[H][O:8][H:9]

EVODEX.1-P5682

[O:2]=[C:3]([O:4][H:14])[C:5]1:[C:6]([H:15]):[C:7]([H:16]):[N:8]:[C:9]([H:17]):[C:10]:1[H:18]>>[H]N([H])[C:3](=[O:2])[C:5]1:[C:6]([H:15]):[C:7]([H:16]):[N:8]:[C:9]([H:17]):[C:10]:1[H:18].[H][O:4][H:14]

EVODEX.1-P5685

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