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|
matched
mol 0
atom 0 -> 0
atom 1 -> 1
atom 2 -> 2
atom 3 -> ?
bond 0 -> 0
bond 1 -> 1
bond 2 -> ?
mol 1
atom 0 -> ?
atom 1 -> ?
atom 2 -> ?
bond 0 -> ?
bond 1 -> ?
mol 2
atom 0 -> ?
atom 1 -> 0
atom 2 -> 1
bond 0 -> ?
bond 1 -> 0
OCN>CC>PCO[H] |ha:0,1,2,5,6,hb:0,1,3|
matched
mol 0
atom 0 -> 0
[Na+]>> |ha:0|
matched
mol 0
atom 0 -> 0
mol 1
atom 0 -> 0
atom 1 -> 1
atom 2 -> 2
atom 3 -> 3
atom 4 -> 4
atom 5 -> 5
bond 0 -> 0
bond 1 -> 1
bond 2 -> 2
bond 3 -> 3
bond 4 -> 4
bond 5 -> 5
[Na+]>>C1C=CC=CC=1 |ha:0,1,2,3,4,5,6,hb:0,1,2,3,4,5|
matched
mol 0
atom 0 -> 0
mol 1
atom 0 -> 0
atom 1 -> 1
atom 2 -> 2
atom 3 -> 3
atom 4 -> 4
atom 5 -> 5
bond 0 -> 0
bond 1 -> 1
bond 2 -> 2
bond 3 -> 3
bond 4 -> 4
bond 5 -> 5
[Na+:5]>>[CH:32]1[CH:37]=[CH:41][CH:44]=[CH:40][CH:36]=1 |ha:0,1,2,3,4,5,6,hb:0,1,2,3,4,5|
matched
mol 0
atom 0 -> 0
mol 1
atom 0 -> 0
atom 1 -> 1
atom 2 -> 2
atom 3 -> 3
atom 4 -> 4
atom 5 -> 5
bond 0 -> 0
bond 1 -> 1
bond 2 -> 2
bond 3 -> 3
bond 4 -> 4
bond 5 -> 5
[Na+:5]>>[CH:32]1[CH:37]=[CH:41][CH:44]=[CH:40][CH:36]=1 |ha:0,1,2,3,4,5,6,hb:0,1,2,3,4,5|
matched
mol 0
atom 0 -> 0
mol 1
atom 0 -> 0
atom 1 -> 1
atom 2 -> 2
atom 3 -> 3
atom 4 -> 4
atom 5 -> 5
bond 0 -> 0
bond 1 -> 1
bond 2 -> 2
bond 3 -> 3
bond 4 -> 4
bond 5 -> 5
[Na+:53]>>[CH:32]1[CH:37]=[CH:41][CH:44]=[CH:40][CH:36]=1 |ha:0,1,2,3,4,5,6,hb:0,1,2,3,4,5|
matched
mol 0
atom 0 -> 0
mol 1
atom 0 -> 0
mol 2
atom 0 -> 0
atom 1 -> 1
atom 2 -> 2
atom 3 -> 3
atom 4 -> 4
atom 5 -> 5
atom 6 -> 6
atom 7 -> 7
atom 8 -> 8
atom 9 -> 9
atom 10 -> 10
atom 11 -> 11
atom 12 -> 12
atom 13 -> 13
atom 14 -> 14
atom 15 -> 15
atom 16 -> 16
atom 17 -> 17
atom 18 -> 18
atom 19 -> 19
atom 20 -> 20
atom 21 -> 21
atom 22 -> 22
atom 23 -> 23
atom 24 -> 24
atom 25 -> 25
atom 26 -> 26
atom 27 -> 27
atom 28 -> 28
atom 29 -> 29
atom 30 -> 30
atom 31 -> 31
atom 32 -> 32
atom 33 -> 33
atom 34 -> 34
atom 35 -> 35
atom 36 -> 36
atom 37 -> 37
atom 38 -> 38
atom 39 -> 39
atom 40 -> 40
atom 41 -> 41
atom 42 -> 42
atom 43 -> 43
atom 44 -> 44
atom 45 -> 45
atom 46 -> 46
atom 47 -> 47
atom 48 -> 48
atom 49 -> 49
atom 50 -> 50
bond 0 -> 0
bond 1 -> 1
bond 2 -> 2
bond 3 -> 3
bond 4 -> 4
bond 5 -> 5
bond 6 -> 6
bond 7 -> 7
bond 8 -> 8
bond 9 -> 9
bond 10 -> 10
bond 11 -> 11
bond 12 -> 12
bond 13 -> 13
bond 14 -> 14
bond 15 -> 15
bond 16 -> 16
bond 17 -> 17
bond 18 -> 18
bond 19 -> 19
bond 20 -> 20
bond 21 -> 21
bond 22 -> 22
bond 23 -> 23
bond 24 -> 24
bond 25 -> 25
bond 26 -> 26
bond 27 -> 27
bond 28 -> 28
bond 29 -> 29
bond 30 -> 30
bond 31 -> 31
bond 32 -> 32
bond 33 -> 33
bond 34 -> 34
bond 35 -> 35
bond 36 -> 36
bond 37 -> 37
bond 38 -> 38
bond 39 -> 39
bond 40 -> 40
bond 41 -> 41
bond 42 -> 42
bond 43 -> 43
bond 44 -> 44
bond 45 -> 45
bond 46 -> 46
bond 47 -> 47
bond 48 -> 48
bond 49 -> 49
bond 50 -> 50
bond 51 -> 51
bond 52 -> 52
bond 53 -> 53
bond 54 -> 54
mol 3
atom 0 -> 0
atom 1 -> 1
atom 2 -> 2
atom 3 -> 3
atom 4 -> 4
atom 5 -> 5
bond 0 -> 0
bond 1 -> 1
bond 2 -> 2
bond 3 -> 3
bond 4 -> 4
bond 5 -> 5
mol 4
atom 0 -> 0
atom 1 -> 1
atom 2 -> 2
atom 3 -> 3
atom 4 -> 4
atom 5 -> 5
bond 0 -> 0
bond 1 -> 1
bond 2 -> 2
bond 3 -> 3
bond 4 -> 4
bond 5 -> 5
mol 5
atom 0 -> 0
atom 1 -> 1
atom 2 -> 2
atom 3 -> 3
atom 4 -> 4
atom 5 -> 5
bond 0 -> 0
bond 1 -> 1
bond 2 -> 2
bond 3 -> 3
bond 4 -> 4
bond 5 -> 5
mol 6
atom 0 -> 0
atom 1 -> 1
atom 2 -> 2
atom 3 -> 3
atom 4 -> 4
atom 5 -> 5
bond 0 -> 0
bond 1 -> 1
bond 2 -> 2
bond 3 -> 3
bond 4 -> 4
bond 5 -> 5
mol 7
atom 0 -> 0
atom 1 -> 1
atom 2 -> 2
atom 3 -> 3
atom 4 -> 4
atom 5 -> 5
bond 0 -> 0
bond 1 -> 1
bond 2 -> 2
bond 3 -> 3
bond 4 -> 4
bond 5 -> 5
[Na+:52].[Na+:53].[CH3:31][CH2:27][N:24]([C:22]1[CH:15]=[CH:8][C:3]([C:1]([C:2]2[CH:6]=[CH:13][CH:18]=[CH:11][C:5]=2[S:12](=[O:19])(=[O:20])[O-:21])=[C:4]2[CH:9]=[CH:16][C:23](=[N+:25]([CH2:28][C:32]3[CH:37]=[CH:41][CH:44]=[C:40]([S:45](=[O:49])(=[O:50])[O-:51])[CH:36]=3)[CH2:29][CH3:33])[CH:17]=[CH:10]2)=[CH:7][CH:14]=1)[CH2:26][C:30]1[CH:35]=[CH:39][CH:42]=[C:38]([S:43](=[O:46])(=[O:47])[O-:48])[CH:34]=1>>[CH:32]1[CH:37]=[CH:41][CH:44]=[CH:40][CH:36]=1.[CH2:4]1[CH:9]=[CH:16][CH2:23][CH:17]=[CH:10]1.[CH:30]1[CH:35]=[CH:39][CH:42]=[CH:38][CH:34]=1.[CH:3]1[CH:8]=[CH:15][CH:22]=[CH:14][CH:7]=1.[CH:2]1[CH:6]=[CH:13][CH:18]=[CH:11][CH:5]=1 |ha:0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,hb:0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84|
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