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  1. data/examples/compound_library.csv +5 -10
  2. data/examples/compound_library.sdf +194 -419
  3. data/examples/interaction_pair_inference.csv +0 -1
data/examples/compound_library.csv CHANGED
@@ -1,11 +1,6 @@
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  ID1,X1
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+ CHEMBL41355,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
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+ CHEMBL1098,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
 
 
 
 
 
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380
  15 16 1 0
381
- 16 17 2 0
382
- 16 2 1 0
383
- 12 5 1 0
 
 
 
 
 
 
 
 
384
  M END
 
 
 
385
  $$$$
386
 
387
  RDKit 2D
388
 
389
- 15 15 0 0 0 0 0 0 0 0999 V2000
390
- 6.7500 -3.8971 0.0000 N 0 0 0 0 0 2 0 0 0 0 0 0
391
- 6.0000 -2.5981 0.0000 N 0 0 0 0 0 4 0 0 0 0 0 0
392
- 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
393
  3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
394
  3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
395
- 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
396
- 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
397
  0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
398
  -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
399
  -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
400
- -3.0000 0.0000 0.0000 N 0 0 0 0 0 4 0 0 0 0 0 0
401
- -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
402
- -3.7500 1.2990 0.0000 O 0 0 0 0 0 1 0 0 0 0 0 0
403
  -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
404
  0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
405
- 1 2 2 0
406
- 2 3 2 0
 
 
 
 
 
 
 
 
 
 
 
407
  3 4 1 0
408
  4 5 1 0
409
- 5 6 1 1
410
- 5 7 1 0
411
- 7 8 2 0
412
- 8 9 1 0
413
- 9 10 2 0
414
- 10 11 1 0
415
- 11 12 2 0
416
- 11 13 1 0
417
- 10 14 1 0
418
- 14 15 2 0
419
- 15 7 1 0
420
- M CHG 4 1 -1 2 1 11 1 13 -1
421
- M END
422
- $$$$
423
-
424
- RDKit 2D
425
-
426
- 13 13 0 0 0 0 0 0 0 0999 V2000
427
- 7.2990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
428
- 6.0000 -2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
429
- 4.7010 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
430
- 6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
431
- 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
432
- 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
433
- 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
434
- 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
435
- 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
436
- -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
437
- -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
438
- -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
439
- 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
440
- 1 2 2 0
441
- 2 3 2 0
442
- 2 4 1 0
443
- 2 5 1 0
444
  5 6 1 0
445
  6 7 1 0
446
  7 8 1 0
447
  8 9 1 0
448
  9 10 1 0
449
  10 11 1 0
450
- 11 12 1 0
451
- 12 13 1 0
452
- 13 8 1 0
453
- M END
454
- $$$$
455
-
456
- RDKit 2D
457
-
458
- 23 26 0 0 0 0 0 0 0 0999 V2000
459
- -5.2020 -8.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
460
- -4.8901 -7.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
461
- -6.0048 -6.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
462
- -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
463
- -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
464
- -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
465
- -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
466
- -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
467
- 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
468
- 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
469
- 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
470
- 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
471
- 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
472
- 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
473
- -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
474
- -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
475
- -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
476
- -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
477
- -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
478
- -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
479
- -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
480
- -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
481
- -4.4918 -5.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
482
- 1 2 1 0
483
- 2 3 2 0
484
- 4 2 1 6
485
- 4 5 1 0
486
- 5 6 1 0
487
- 7 6 1 6
488
- 7 8 1 0
489
- 8 9 1 1
490
- 9 10 1 0
491
- 10 11 2 0
492
- 11 12 1 0
493
- 12 13 1 0
494
- 13 14 1 6
495
- 13 15 1 0
496
  15 16 1 0
497
- 16 17 1 0
498
- 17 18 1 6
499
- 17 19 1 0
500
- 19 20 1 6
501
  20 21 1 0
502
- 21 22 1 0
503
- 22 23 1 6
504
- 22 4 1 0
505
- 22 7 1 0
506
- 19 8 1 0
507
- 17 11 1 0
508
  M END
 
 
 
509
  $$$$
 
1
 
2
  RDKit 2D
3
 
4
+ 22 23 0 0 0 0 0 0 0 0999 V2000
5
+ 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6
+ 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7
+ 5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8
+ 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9
+ 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10
+ 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11
  1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12
  0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13
  -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14
+ -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
 
 
 
 
 
 
 
 
15
  -3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
16
  -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17
+ -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18
+ -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19
+ -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20
+ -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21
+ -9.7500 1.2990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
22
+ -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23
+ -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
 
 
 
 
 
 
24
  -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25
  0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26
+ 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
27
  1 2 1 0
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
28
  2 3 1 0
29
+ 3 4 1 0
30
+ 4 5 2 0
31
+ 4 6 1 0
32
  6 7 1 0
33
  7 8 2 0
34
  8 9 1 0
35
  9 10 2 0
36
  10 11 1 0
37
  11 12 1 0
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
38
  12 13 1 0
39
  13 14 2 0
40
  14 15 1 0
41
  15 16 2 0
42
  16 17 1 0
43
+ 16 18 1 0
44
+ 18 19 2 0
45
+ 10 20 1 0
46
+ 20 21 2 0
47
+ 21 22 1 0
48
+ 21 7 1 0
49
+ 19 13 1 0
 
 
 
 
50
  M END
51
+ > <ID> (1)
52
+ CHEMBL41355
53
+
54
  $$$$
55
 
56
  RDKit 2D
57
 
58
+ 23 23 0 0 0 0 0 0 0 0999 V2000
59
+ 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
60
+ 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
61
+ 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
62
+ 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
63
+ 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
64
  1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
65
  0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
66
  -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
67
+ -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
68
+ -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
69
  -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
70
+ -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
71
+ -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
72
+ -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
73
+ -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
74
+ -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
75
+ -6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
76
+ -5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
77
+ -6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
78
+ -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
79
  -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
80
  -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
81
  0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
 
82
  1 2 1 0
83
+ 2 3 1 0
84
  3 4 1 0
85
+ 4 5 1 0
86
  5 6 1 0
87
+ 6 7 2 0
88
+ 7 8 1 0
89
+ 8 9 1 0
90
+ 8 10 2 0
91
  10 11 1 0
92
  11 12 1 0
93
  12 13 2 0
94
+ 13 14 1 0
95
+ 13 15 1 0
96
  15 16 1 0
97
+ 16 17 1 0
98
+ 17 18 2 0
99
+ 18 19 1 0
100
+ 18 20 1 0
101
+ 10 21 1 0
102
+ 21 22 1 0
103
+ 21 23 2 0
104
+ 23 6 1 0
 
 
 
 
 
 
 
105
  M END
106
+ > <ID> (2)
107
+ CHEMBL497318
108
+
109
  $$$$
110
 
111
  RDKit 2D
112
 
113
+ 26 29 0 0 0 0 0 0 0 0999 V2000
114
+ -3.7527 6.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
115
+ -2.6380 5.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
116
+ -1.2114 6.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
117
+ -0.0967 5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
118
+ -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
119
+ 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
120
+ 2.1328 3.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
121
+ 3.2475 2.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
122
+ 4.6741 2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
123
+ 5.7888 1.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
124
+ 7.2154 2.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
125
+ 8.3301 1.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
126
+ 9.7567 1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
127
+ 10.8714 0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
128
+ 12.2980 0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
129
+ 12.6098 2.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
130
+ 11.4951 3.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
131
+ 10.0685 2.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
132
+ 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
133
+ 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
134
+ 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
135
+ -1.0323 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
136
+ -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
137
+ -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
138
+ -1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
139
+ -2.9499 4.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
140
  1 2 2 0
141
  2 3 1 0
142
+ 3 4 2 0
143
+ 4 5 1 0
144
+ 5 6 2 0
145
+ 6 7 1 0
146
  7 8 1 0
147
  8 9 1 0
148
+ 9 10 1 0
149
+ 10 11 1 0
150
+ 11 12 1 0
151
  12 13 1 0
152
+ 13 14 2 0
153
+ 14 15 1 0
154
  15 16 2 0
155
  16 17 1 0
156
  17 18 2 0
157
+ 6 19 1 0
158
+ 19 20 1 0
159
+ 20 21 2 0
160
+ 21 22 1 0
161
+ 22 23 1 0
162
+ 23 24 1 0
163
+ 24 25 2 0
164
+ 25 26 1 0
165
+ 26 2 1 0
166
+ 25 5 1 0
167
+ 18 13 1 0
168
+ 23 19 2 0
169
  M END
170
+ > <ID> (3)
171
+ CHEMBL444449
172
+
173
  $$$$
174
 
175
  RDKit 2D
176
 
177
+ 24 26 0 0 0 0 0 0 0 0999 V2000
178
+ 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
179
+ 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
180
+ 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
181
+ 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
182
  0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
183
+ 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
 
 
 
 
 
 
 
 
 
 
 
184
  0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
185
+ -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
186
+ -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
187
+ -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
188
+ -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
189
+ -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
190
+ -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
191
+ -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
192
+ -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
193
+ -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
194
+ -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
195
+ -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
196
+ -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
197
+ -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
198
+ -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
199
+ -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
200
+ -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
201
+ -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
202
  1 2 1 0
203
+ 2 3 1 0
204
  3 4 1 0
205
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206
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207
  6 7 1 0
208
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209
+ 8 9 1 0
210
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211
+ 10 11 2 0
212
+ 2 12 1 0
213
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214
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215
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216
  15 16 1 0
217
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218
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219
+ 18 19 1 0
220
+ 19 20 2 0
221
+ 20 21 1 0
222
+ 21 22 2 0
223
+ 15 23 1 0
224
+ 23 24 1 0
225
+ 11 5 1 0
226
+ 24 12 1 0
227
+ 22 17 1 0
228
  M END
229
+ > <ID> (4)
230
+ CHEMBL305187
231
+
232
  $$$$
233
 
234
  RDKit 2D
235
 
236
+ 21 22 0 0 0 0 0 0 0 0999 V2000
237
+ 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
238
+ 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
 
239
  3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
240
  3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
241
+ 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
 
242
  0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
243
  -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
244
  -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
 
 
 
245
  -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
246
  0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
247
+ 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
248
+ 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
249
+ 3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
250
+ 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
251
+ 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
252
+ 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
253
+ 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
254
+ 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
255
+ 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
256
+ 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
257
+ 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
258
+ 1 2 1 0
259
+ 2 3 1 0
260
  3 4 1 0
261
  4 5 1 0
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
262
  5 6 1 0
263
  6 7 1 0
264
  7 8 1 0
265
  8 9 1 0
266
  9 10 1 0
267
  10 11 1 0
268
+ 11 12 2 0
269
+ 11 13 1 0
270
+ 13 14 1 0
271
+ 14 15 2 0
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
272
  15 16 1 0
273
+ 15 17 1 0
274
+ 17 18 2 0
275
+ 18 19 1 0
276
+ 19 20 2 0
277
  20 21 1 0
278
+ 10 5 1 0
279
+ 20 14 1 0
 
 
 
 
280
  M END
281
+ > <ID> (5)
282
+ CHEMBL1098
283
+
284
  $$$$
data/examples/interaction_pair_inference.csv CHANGED
@@ -1,7 +1,6 @@
1
  ID1,X1,ID2,X2
2
  CHEMBL41355,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N,O88943,MVQKSRNGGVYPGTSGEKKLKVGFVGLDPGAPDSTRDGALLIAGSEAPKRGSVLSKPRTGGAGAGKPPKRNAFYRKLQNFLYNVLERPRGWAFIYHAYVFLLVFSCLVLSVFSTIKEYEKSSEGALYILEIVTIVVFGVEYFVRIWAAGCCCRYRGWRGRLKFARKPFCVIDIMVLIASIAVLAAGSQGNVFATSALRSLRFLQILRMIRMDRRGGTWKLLGSVVYAHSKELVTAWYIGFLCLILASFLVYLAEKGENDHFDTYADALWWGLITLTTIGYGDKYPQTWNGRLLAATFTLIGVSFFALPAGILGSGFALKVQEQHRQKHFEKRRNPAAGLIQSAWRFYATNLSRTDLHSTWQYYERTVTVPMISSQTQTYGASRLIPPLNQLEMLRNLKSKSGLTFRKEPQPEPSPSQKVSLKDRVFSSPRGVAAKGKGSPQAQTVRRSPSADQSLDDSPSKVPKSWSFGDRSRARQAFRIKGAASRQNSEEASLPGEDIVEDNKSCNCEFVTEDLTPGLKVSIRAVCVMRFLVSKRKFKESLRPYDVMDVIEQYSAGHLDMLSRIKSLQSRVDQIVGRGPTITDKDRTKGPAETELPEDPSMMGRLGKVEKQVLSMEKKLDFLVSIYTQRMGIPPAETEAYFGAKEPEPAPPYHSPEDSRDHADKHGCIIKIVRSTSSTGQRKYAAPPVMPPAECPPSTSWQQSHQRHGTSPVGDHGSLVRIPPPPAHERSLSAYSGGNRASTEFLRLEGTPACRPSEAALRDSDTSISIPSVDHEELERSFSGFSISQSKENLNALASCYAAVAPCAKVRPYIAEGESDTDSDLCTPCGPPPRSATGEGPFGDVAWAGPRK
3
  CHEMBL497318,CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1,Q9Y5S1,MTSPSSSPVFRLETLDGGQEDGSEADRGKLDFGSGLPPMESQFQGEDRKFAPQIRVNLNYRKGTGASQPDPNRFDRDRLFNAVSRGVPEDLAGLPEYLSKTSKYLTDSEYTEGSTGKTCLMKAVLNLKDGVNACILPLLQIDRDSGNPQPLVNAQCTDDYYRGHSALHIAIEKRSLQCVKLLVENGANVHARACGRFFQKGQGTCFYFGELPLSLAACTKQWDVVSYLLENPHQPASLQATDSQGNTVLHALVMISDNSAENIALVTSMYDGLLQAGARLCPTVQLEDIRNLQDLTPLKLAAKEGKIEIFRHILQREFSGLSHLSRKFTEWCYGPVRVSLYDLASVDSCEENSVLEIIAFHCKSPHRHRMVVLEPLNKLLQAKWDLLIPKFFLNFLCNLIYMFIFTAVAYHQPTLKKQAAPHLKAEVGNSMLLTGHILILLGGIYLLVGQLWYFWRRHVFIWISFIDSYFEILFLFQALLTVVSQVLCFLAIEWYLPLLVSALVLGWLNLLYYTRGFQHTGIYSVMIQKVILRDLLRFLLIYLVFLFGFAVALVSLSQEAWRPEAPTGPNATESVQPMEGQEDEGNGAQYRGILEASLELFKFTIGMGELAFQEQLHFRGMVLLLLLAYVLLTYILLLNMLIALMSETVNSVATDSWSIWKLQKAISVLEMENGYWWCRKKQRAGVMLTVGTKPDGSPDERWCFRVEEVNWASWEQTLPTLCEDPSGAGVPRTLENPVLASPPKEDEDGASEENYVPVQLLQSN
4
- CHEMBL497318,CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1,Q9Y5S1,MTSPSSSPVFRLETLDGGQEDGSEADRGKLDFGSGLPPMESQFQGEDRKFAPQIRVNLNYRKGTGASQPDPNRFDRDRLFNAVSRGVPEDLAGLPEYLSKTSKYLTDSEYTEGSTGKTCLMKAVLNLKDGVNACILPLLQIDRDSGNPQPLVNAQCTDDYYRGHSALHIAIEKRSLQCVKLLVENGANVHARACGRFFQKGQGTCFYFGELPLSLAACTKQWDVVSYLLENPHQPASLQATDSQGNTVLHALVMISDNSAENIALVTSMYDGLLQAGARLCPTVQLEDIRNLQDLTPLKLAAKEGKIEIFRHILQREFSGLSHLSRKFTEWCYGPVRVSLYDLASVDSCEENSVLEIIAFHCKSPHRHRMVVLEPLNKLLQAKWDLLIPKFFLNFLCNLIYMFIFTAVAYHQPTLKKQAAPHLKAEVGNSMLLTGHILILLGGIYLLVGQLWYFWRRHVFIWISFIDSYFEILFLFQALLTVVSQVLCFLAIEWYLPLLVSALVLGWLNLLYYTRGFQHTGIYSVMIQKVILRDLLRFLLIYLVFLFGFAVALVSLSQEAWRPEAPTGPNATESVQPMEGQEDEGNGAQYRGILEASLELFKFTIGMGELAFQEQLHFRGMVLLLLLAYVLLTYILLLNMLIALMSETVNSVATDSWSIWKLQKAISVLEMENGYWWCRKKQRAGVMLTVGTKPDGSPDERWCFRVEEVNWASWEQTLPTLCEDPSGAGVPRTLENPVLASPPKEDEDGASEENYVPVQLLQSN
5
  CHEMBL444449,O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1,P17658,MRSEKSLTLAAPGEVRGPEGEQQDAGDFPEAGGGGGCCSSERLVINISGLRFETQLRTLSLFPDTLLGDPGRRVRFFDPLRNEYFFDRNRPSFDAILYYYQSGGRLRRPVNVPLDIFLEEIRFYQLGDEALAAFREDEGCLPEGGEDEKPLPSQPFQRQVWLLFEYPESSGPARGIAIVSVLVILISIVIFCLETLPQFRVDGRGGNNGGVSRVSPVSRGSQEEEEDEDDSYTFHHGITPGEMGTGGSSSLSTLGGSFFTDPFFLVETLCIVWFTFELLVRFSACPSKPAFFRNIMNIIDLVAIFPYFITLGTELVQQQEQQPASGGGGQNGQQAMSLAILRVIRLVRVFRIFKLSRHSKGLQILGKTLQASMRELGLLIFFLFIGVILFSSAVYFAEADDDDSLFPSIPDAFWWAVVTMTTVGYGDMYPMTVGGKIVGSLCAIAGVLTIALPVPVIVSNFNYFYHRETEQEEQGQYTHVTCGQPAPDLRATDNGLGKPDFPEANRERRPSYLPTPHRAYAEKRMLTEV
6
  CHEMBL305187,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,O15399,MRGAGGPRGPRGPAKMLLLLALACASPFPEEAPGPGGAGGPGGGLGGARPLNVALVFSGPAYAAEAARLGPAVAAAVRSPGLDVRPVALVLNGSDPRSLVLQLCDLLSGLRVHGVVFEDDSRAPAVAPILDFLSAQTSLPIVAVHGGAALVLTPKEKGSTFLQLGSSTEQQLQVIFEVLEEYDWTSFVAVTTRAPGHRAFLSYIEVLTDGSLVGWEHRGALTLDPGAGEAVLSAQLRSVSAQIRLLFCAREEAEPVFRAAEEAGLTGSGYVWFMVGPQLAGGGGSGAPGEPPLLPGGAPLPAGLFAVRSAGWRDDLARRVAAGVAVVARGAQALLRDYGFLPELGHDCRAQNRTHRGESLHRYFMNITWDNRDYSFNEDGFLVNPSLVVISLTRDRTWEVVGSWEQQTLRLKYPLWSRYGRFLQPVDDTQHLTVATLEERPFVIVEPADPISGTCIRDSVPCRSQLNRTHSPPPDAPRPEKRCCKGFCIDILKRLAHTIGFSYDLYLVTNGKHGKKIDGVWNGMIGEVFYQRADMAIGSLTINEERSEIVDFSVPFVETGISVMVARSNGTVSPSAFLEPYSPAVWVMMFVMCLTVVAVTVFIFEYLSPVGYNRSLATGKRPGGSTFTIGKSIWLLWALVFNNSVPVENPRGTTSKIMVLVWAFFAVIFLASYTANLAAFMIQEEYVDTVSGLSDRKFQRPQEQYPPLKFGTVPNGSTEKNIRSNYPDMHSYMVRYNQPRVEEALTQLKAGKLDAFIYDAAVLNYMARKDEGCKLVTIGSGKVFATTGYGIALHKGSRWKRPIDLALLQFLGDDEIEMLERLWLSGICHNDKIEVMSSKLDIDNMAGVFYMLLVAMGLSLLVFAWEHLVYWRLRHCLGPTHRMDFLLAFSRGMYSCCSAEAAPPPAKPPPPPQPLPSPAYPAPRPAPGPAPFVPRERASVDRWRRTKGAGPPGGAGLADGFHRYYGPIEPQGLGLGLGEARAAPRGAAGRPLSPPAAQPPQKPPPSYFAIVRDKEPAEPPAGAFPGFPSPPAPPAAAATAVGPPLCRLAFEDESPPAPARWPRSDPESQPLLGPGAGGAGGTGGAGGGAPAAPPPCRAAPPPCPYLDLEPSPSDSEDSESLGGASLGGLEPWWFADFPYPYAERLGPPPGRYWSVDKLGGWRAGSWDYLPPRSGPAAWHCRHCASLELLPPPRHLSCSHDGLDGGWWAPPPPPWAAGPLPRRRARCGCPRSHPHRPRASHRTPAAAAPHHHRHRRAAGGWDLPPPAPTSRSLEDLSSCPRAAPARRLTGPSRHARRCPHAAHWGPPLPTASHRRHRGGDLGTRRGSAHFSSLESEV
7
  CHEMBL305187,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,Q14957,MGGALGPALLLTSLFGAWAGLGPGQGEQGMTVAVVFSSSGPPQAQFRARLTPQSFLDLPLEIQPLTVGVNTTNPSSLLTQICGLLGAAHVHGIVFEDNVDTEAVAQILDFISSQTHVPILSISGGSAVVLTPKEPGSAFLQLGVSLEQQLQVLFKVLEEYDWSAFAVITSLHPGHALFLEGVRAVADASHVSWRLLDVVTLELGPGGPRARTQRLLRQLDAPVFVAYCSREEAEVLFAEAAQAGLVGPGHVWLVPNLALGSTDAPPATFPVGLISVVTESWRLSLRQKVRDGVAILALGAHSYWRQHGTLPAPAGDCRVHPGPVSPAREAFYRHLLNVTWEGRDFSFSPGGYLVQPTMVVIALNRHRLWEMVGRWEHGVLYMKYPVWPRYSASLQPVVDSRHLTVATLEERPFVIVESPDPGTGGCVPNTVPCRRQSNHTFSSGDVAPYTKLCCKGFCIDILKKLARVVKFSYDLYLVTNGKHGKRVRGVWNGMIGEVYYKRADMAIGSLTINEERSEIVDFSVPFVETGISVMVARSNGTVSPSAFLEPYSPAVWVMMFVMCLTVVAITVFMFEYFSPVSYNQNLTRGKKSGGPAFTIGKSVWLLWALVFNNSVPIENPRGTTSKIMVLVWAFFAVIFLASYTANLAAFMIQEQYIDTVSGLSDKKFQRPQDQYPPFRFGTVPNGSTERNIRSNYRDMHTHMVKFNQRSVEDALTSLKMGKLDAFIYDAAVLNYMAGKDEGCKLVTIGSGKVFATTGYGIAMQKDSHWKRAIDLALLQFLGDGETQKLETVWLSGICQNEKNEVMSSKLDIDNMAGVFYMLLVAMGLALLVFAWEHLVYWKLRHSVPNSSQLDFLLAFSRGIYSCFSGVQSLASPPRQASPDLTASSAQASVLKMLQAARDMVTTAGVSSSLDRATRTIENWGGGRRAPPPSPCPTPRSGPSPCLPTPDPPPEPSPTGWGPPDGGRAALVRRAPQPPGRPPTPGPPLSDVSRVSRRPAWEARWPVRTGHCGRHLSASERPLSPARCHYSSFPRADRSGRPFLPLFPELEDLPLLGPEQLARREALLHAAWARGSRPRHASLPSSVAEAFARPSSLPAGCTGPACARPDGHSACRRLAQAQSMCLPIYREACQEGEQAGAPAWQHRQHVCLHAHAHLPFCWGAVCPHLPPCASHGSWLSGAWGPLGHRGRTLGLGTGYRDSGGLDEISRVARGTQGFPGPCTWRRISSLESEV
 
1
  ID1,X1,ID2,X2
2
  CHEMBL41355,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N,O88943,MVQKSRNGGVYPGTSGEKKLKVGFVGLDPGAPDSTRDGALLIAGSEAPKRGSVLSKPRTGGAGAGKPPKRNAFYRKLQNFLYNVLERPRGWAFIYHAYVFLLVFSCLVLSVFSTIKEYEKSSEGALYILEIVTIVVFGVEYFVRIWAAGCCCRYRGWRGRLKFARKPFCVIDIMVLIASIAVLAAGSQGNVFATSALRSLRFLQILRMIRMDRRGGTWKLLGSVVYAHSKELVTAWYIGFLCLILASFLVYLAEKGENDHFDTYADALWWGLITLTTIGYGDKYPQTWNGRLLAATFTLIGVSFFALPAGILGSGFALKVQEQHRQKHFEKRRNPAAGLIQSAWRFYATNLSRTDLHSTWQYYERTVTVPMISSQTQTYGASRLIPPLNQLEMLRNLKSKSGLTFRKEPQPEPSPSQKVSLKDRVFSSPRGVAAKGKGSPQAQTVRRSPSADQSLDDSPSKVPKSWSFGDRSRARQAFRIKGAASRQNSEEASLPGEDIVEDNKSCNCEFVTEDLTPGLKVSIRAVCVMRFLVSKRKFKESLRPYDVMDVIEQYSAGHLDMLSRIKSLQSRVDQIVGRGPTITDKDRTKGPAETELPEDPSMMGRLGKVEKQVLSMEKKLDFLVSIYTQRMGIPPAETEAYFGAKEPEPAPPYHSPEDSRDHADKHGCIIKIVRSTSSTGQRKYAAPPVMPPAECPPSTSWQQSHQRHGTSPVGDHGSLVRIPPPPAHERSLSAYSGGNRASTEFLRLEGTPACRPSEAALRDSDTSISIPSVDHEELERSFSGFSISQSKENLNALASCYAAVAPCAKVRPYIAEGESDTDSDLCTPCGPPPRSATGEGPFGDVAWAGPRK
3
  CHEMBL497318,CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1,Q9Y5S1,MTSPSSSPVFRLETLDGGQEDGSEADRGKLDFGSGLPPMESQFQGEDRKFAPQIRVNLNYRKGTGASQPDPNRFDRDRLFNAVSRGVPEDLAGLPEYLSKTSKYLTDSEYTEGSTGKTCLMKAVLNLKDGVNACILPLLQIDRDSGNPQPLVNAQCTDDYYRGHSALHIAIEKRSLQCVKLLVENGANVHARACGRFFQKGQGTCFYFGELPLSLAACTKQWDVVSYLLENPHQPASLQATDSQGNTVLHALVMISDNSAENIALVTSMYDGLLQAGARLCPTVQLEDIRNLQDLTPLKLAAKEGKIEIFRHILQREFSGLSHLSRKFTEWCYGPVRVSLYDLASVDSCEENSVLEIIAFHCKSPHRHRMVVLEPLNKLLQAKWDLLIPKFFLNFLCNLIYMFIFTAVAYHQPTLKKQAAPHLKAEVGNSMLLTGHILILLGGIYLLVGQLWYFWRRHVFIWISFIDSYFEILFLFQALLTVVSQVLCFLAIEWYLPLLVSALVLGWLNLLYYTRGFQHTGIYSVMIQKVILRDLLRFLLIYLVFLFGFAVALVSLSQEAWRPEAPTGPNATESVQPMEGQEDEGNGAQYRGILEASLELFKFTIGMGELAFQEQLHFRGMVLLLLLAYVLLTYILLLNMLIALMSETVNSVATDSWSIWKLQKAISVLEMENGYWWCRKKQRAGVMLTVGTKPDGSPDERWCFRVEEVNWASWEQTLPTLCEDPSGAGVPRTLENPVLASPPKEDEDGASEENYVPVQLLQSN
 
4
  CHEMBL444449,O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1,P17658,MRSEKSLTLAAPGEVRGPEGEQQDAGDFPEAGGGGGCCSSERLVINISGLRFETQLRTLSLFPDTLLGDPGRRVRFFDPLRNEYFFDRNRPSFDAILYYYQSGGRLRRPVNVPLDIFLEEIRFYQLGDEALAAFREDEGCLPEGGEDEKPLPSQPFQRQVWLLFEYPESSGPARGIAIVSVLVILISIVIFCLETLPQFRVDGRGGNNGGVSRVSPVSRGSQEEEEDEDDSYTFHHGITPGEMGTGGSSSLSTLGGSFFTDPFFLVETLCIVWFTFELLVRFSACPSKPAFFRNIMNIIDLVAIFPYFITLGTELVQQQEQQPASGGGGQNGQQAMSLAILRVIRLVRVFRIFKLSRHSKGLQILGKTLQASMRELGLLIFFLFIGVILFSSAVYFAEADDDDSLFPSIPDAFWWAVVTMTTVGYGDMYPMTVGGKIVGSLCAIAGVLTIALPVPVIVSNFNYFYHRETEQEEQGQYTHVTCGQPAPDLRATDNGLGKPDFPEANRERRPSYLPTPHRAYAEKRMLTEV
5
  CHEMBL305187,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,O15399,MRGAGGPRGPRGPAKMLLLLALACASPFPEEAPGPGGAGGPGGGLGGARPLNVALVFSGPAYAAEAARLGPAVAAAVRSPGLDVRPVALVLNGSDPRSLVLQLCDLLSGLRVHGVVFEDDSRAPAVAPILDFLSAQTSLPIVAVHGGAALVLTPKEKGSTFLQLGSSTEQQLQVIFEVLEEYDWTSFVAVTTRAPGHRAFLSYIEVLTDGSLVGWEHRGALTLDPGAGEAVLSAQLRSVSAQIRLLFCAREEAEPVFRAAEEAGLTGSGYVWFMVGPQLAGGGGSGAPGEPPLLPGGAPLPAGLFAVRSAGWRDDLARRVAAGVAVVARGAQALLRDYGFLPELGHDCRAQNRTHRGESLHRYFMNITWDNRDYSFNEDGFLVNPSLVVISLTRDRTWEVVGSWEQQTLRLKYPLWSRYGRFLQPVDDTQHLTVATLEERPFVIVEPADPISGTCIRDSVPCRSQLNRTHSPPPDAPRPEKRCCKGFCIDILKRLAHTIGFSYDLYLVTNGKHGKKIDGVWNGMIGEVFYQRADMAIGSLTINEERSEIVDFSVPFVETGISVMVARSNGTVSPSAFLEPYSPAVWVMMFVMCLTVVAVTVFIFEYLSPVGYNRSLATGKRPGGSTFTIGKSIWLLWALVFNNSVPVENPRGTTSKIMVLVWAFFAVIFLASYTANLAAFMIQEEYVDTVSGLSDRKFQRPQEQYPPLKFGTVPNGSTEKNIRSNYPDMHSYMVRYNQPRVEEALTQLKAGKLDAFIYDAAVLNYMARKDEGCKLVTIGSGKVFATTGYGIALHKGSRWKRPIDLALLQFLGDDEIEMLERLWLSGICHNDKIEVMSSKLDIDNMAGVFYMLLVAMGLSLLVFAWEHLVYWRLRHCLGPTHRMDFLLAFSRGMYSCCSAEAAPPPAKPPPPPQPLPSPAYPAPRPAPGPAPFVPRERASVDRWRRTKGAGPPGGAGLADGFHRYYGPIEPQGLGLGLGEARAAPRGAAGRPLSPPAAQPPQKPPPSYFAIVRDKEPAEPPAGAFPGFPSPPAPPAAAATAVGPPLCRLAFEDESPPAPARWPRSDPESQPLLGPGAGGAGGTGGAGGGAPAAPPPCRAAPPPCPYLDLEPSPSDSEDSESLGGASLGGLEPWWFADFPYPYAERLGPPPGRYWSVDKLGGWRAGSWDYLPPRSGPAAWHCRHCASLELLPPPRHLSCSHDGLDGGWWAPPPPPWAAGPLPRRRARCGCPRSHPHRPRASHRTPAAAAPHHHRHRRAAGGWDLPPPAPTSRSLEDLSSCPRAAPARRLTGPSRHARRCPHAAHWGPPLPTASHRRHRGGDLGTRRGSAHFSSLESEV
6
  CHEMBL305187,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,Q14957,MGGALGPALLLTSLFGAWAGLGPGQGEQGMTVAVVFSSSGPPQAQFRARLTPQSFLDLPLEIQPLTVGVNTTNPSSLLTQICGLLGAAHVHGIVFEDNVDTEAVAQILDFISSQTHVPILSISGGSAVVLTPKEPGSAFLQLGVSLEQQLQVLFKVLEEYDWSAFAVITSLHPGHALFLEGVRAVADASHVSWRLLDVVTLELGPGGPRARTQRLLRQLDAPVFVAYCSREEAEVLFAEAAQAGLVGPGHVWLVPNLALGSTDAPPATFPVGLISVVTESWRLSLRQKVRDGVAILALGAHSYWRQHGTLPAPAGDCRVHPGPVSPAREAFYRHLLNVTWEGRDFSFSPGGYLVQPTMVVIALNRHRLWEMVGRWEHGVLYMKYPVWPRYSASLQPVVDSRHLTVATLEERPFVIVESPDPGTGGCVPNTVPCRRQSNHTFSSGDVAPYTKLCCKGFCIDILKKLARVVKFSYDLYLVTNGKHGKRVRGVWNGMIGEVYYKRADMAIGSLTINEERSEIVDFSVPFVETGISVMVARSNGTVSPSAFLEPYSPAVWVMMFVMCLTVVAITVFMFEYFSPVSYNQNLTRGKKSGGPAFTIGKSVWLLWALVFNNSVPIENPRGTTSKIMVLVWAFFAVIFLASYTANLAAFMIQEQYIDTVSGLSDKKFQRPQDQYPPFRFGTVPNGSTERNIRSNYRDMHTHMVKFNQRSVEDALTSLKMGKLDAFIYDAAVLNYMAGKDEGCKLVTIGSGKVFATTGYGIAMQKDSHWKRAIDLALLQFLGDGETQKLETVWLSGICQNEKNEVMSSKLDIDNMAGVFYMLLVAMGLALLVFAWEHLVYWKLRHSVPNSSQLDFLLAFSRGIYSCFSGVQSLASPPRQASPDLTASSAQASVLKMLQAARDMVTTAGVSSSLDRATRTIENWGGGRRAPPPSPCPTPRSGPSPCLPTPDPPPEPSPTGWGPPDGGRAALVRRAPQPPGRPPTPGPPLSDVSRVSRRPAWEARWPVRTGHCGRHLSASERPLSPARCHYSSFPRADRSGRPFLPLFPELEDLPLLGPEQLARREALLHAAWARGSRPRHASLPSSVAEAFARPSSLPAGCTGPACARPDGHSACRRLAQAQSMCLPIYREACQEGEQAGAPAWQHRQHVCLHAHAHLPFCWGAVCPHLPPCASHGSWLSGAWGPLGHRGRTLGLGTGYRDSGGLDEISRVARGTQGFPGPCTWRRISSLESEV