edge_index
listlengths 2
2
| edge_attr
listlengths 4
176
| x
listlengths 3
88
| ba_edge_index
listlengths 2
2
| ba_edge_attr
listlengths 2
244
| fra_edge_index
listlengths 2
2
| fra_edge_attr
listlengths 4
152
| cluster_idx
listlengths 3
88
| bafra_edge_index
listlengths 2
2
| bafra_edge_attr
listlengths 0
232
| smiles
stringlengths 3
101
|
|---|---|---|---|---|---|---|---|---|---|---|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
1,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
12,
3,
19,
15,
12,
7
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
1,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
3,
12,
15,
19,
7,
12
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
24,
3,
3,
4,
4,
5,
6,
39,
39,
7,
7,
8,
9,
10,
11,
12,
12,
13,
14,
43,
43,
15,
15,
16,
17,
18,
19,
20,
21,
22,
22,
38,
38,
42,
42,
23,
25,
25,
26,
27,
28,
28,
29,
30,
41,
31,
31,
32,
33,
34,
35,
36,
40,
40,
37
],
[
2,
24,
4,
26,
1,
24,
6,
39,
3,
8,
42,
23,
5,
39,
10,
7,
12,
9,
14,
43,
11,
16,
38,
23,
13,
43,
18,
15,
20,
17,
22,
19,
38,
42,
5,
6,
13,
14,
21,
1,
2,
28,
25,
30,
41,
27,
32,
37,
29,
41,
34,
31,
36,
33,
40,
29,
30,
35
]
] |
[
[
2.1249797344207764
],
[
2.14886474609375
],
[
1.9849108457565308
],
[
2.1401114463806152
],
[
2.1249797344207764
],
[
2.007467746734619
],
[
2.0395495891571045
],
[
2.15221905708313
],
[
1.9849108457565308
],
[
2.111276626586914
],
[
2.067192792892456
],
[
2.1689114570617676
],
[
2.0395495891571045
],
[
2.091048240661621
],
[
2.088585376739502
],
[
2.111276626586914
],
[
2.111292839050293
],
[
2.088585376739502
],
[
2.0885231494903564
],
[
2.096879243850708
],
[
2.111292839050293
],
[
2.113185167312622
],
[
2.067192792892456
],
[
2.047032117843628
],
[
2.0885231494903564
],
[
2.097745418548584
],
[
2.0889732837677
],
[
2.113185167312622
],
[
2.092848062515259
],
[
2.0889732837677
],
[
2.1265249252319336
],
[
2.092848062515259
],
[
2.1689114570617676
],
[
2.047032117843628
],
[
2.15221905708313
],
[
2.091048240661621
],
[
2.096879243850708
],
[
2.097745418548584
],
[
2.1265249252319336
],
[
2.14886474609375
],
[
2.007467746734619
],
[
1.9509960412979126
],
[
2.1401114463806152
],
[
1.9940698146820068
],
[
1.9319305419921875
],
[
1.9509960412979126
],
[
1.7718125581741333
],
[
1.8905794620513916
],
[
1.9940698146820068
],
[
1.8556232452392578
],
[
1.781151294708252
],
[
1.7718125581741333
],
[
1.8676539659500122
],
[
1.781151294708252
],
[
1.8905794620513916
],
[
1.9319305419921875
],
[
1.8556232452392578
],
[
1.8676539659500122
]
] |
[
[
0,
1,
1,
2,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
15,
16,
16,
17,
17,
18,
18,
19,
12,
3,
19,
15,
12,
7
],
[
1,
0,
2,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
16,
15,
17,
16,
18,
17,
19,
18,
3,
12,
15,
19,
7,
12
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
2,
3,
4,
4,
4,
4,
4
] |
[
[
0,
3,
4,
31,
31,
5,
6,
7,
8,
9,
10,
10,
11,
12,
35,
35,
13,
13,
14,
15,
16,
17,
18,
19,
20,
20,
30,
34,
34,
21,
22,
33,
23,
24,
25,
26,
27,
28,
32,
29
],
[
2,
1,
6,
34,
21,
31,
8,
5,
10,
7,
12,
35,
9,
14,
30,
21,
11,
35,
16,
13,
18,
15,
20,
17,
30,
34,
4,
11,
12,
19,
24,
29,
33,
26,
23,
28,
25,
32,
22,
27
]
] |
[
[
2.1249797344207764
],
[
2.1249797344207764
],
[
2.111276626586914
],
[
2.067192792892456
],
[
2.1689114570617676
],
[
2.091048240661621
],
[
2.088585376739502
],
[
2.111276626586914
],
[
2.111292839050293
],
[
2.088585376739502
],
[
2.0885231494903564
],
[
2.096879243850708
],
[
2.111292839050293
],
[
2.113185167312622
],
[
2.067192792892456
],
[
2.047032117843628
],
[
2.0885231494903564
],
[
2.097745418548584
],
[
2.0889732837677
],
[
2.113185167312622
],
[
2.092848062515259
],
[
2.0889732837677
],
[
2.1265249252319336
],
[
2.092848062515259
],
[
2.1689114570617676
],
[
2.047032117843628
],
[
2.091048240661621
],
[
2.096879243850708
],
[
2.097745418548584
],
[
2.1265249252319336
],
[
1.7718125581741333
],
[
1.8905794620513916
],
[
1.8556232452392578
],
[
1.781151294708252
],
[
1.7718125581741333
],
[
1.8676539659500122
],
[
1.781151294708252
],
[
1.8905794620513916
],
[
1.8556232452392578
],
[
1.8676539659500122
]
] |
O=C(Cc1cccc2ccccc12)NCC1CCCO1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
10,
17,
17,
18,
18,
19,
4,
20,
20,
1,
19,
5,
18,
7,
16,
11
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
10,
18,
17,
19,
18,
20,
4,
1,
20,
5,
19,
7,
18,
11,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
15,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
41,
3,
3,
4,
5,
6,
6,
7,
8,
8,
38,
9,
9,
10,
43,
11,
11,
12,
12,
13,
14,
45,
45,
15,
15,
16,
17,
18,
18,
19,
20,
20,
32,
21,
21,
22,
47,
23,
23,
24,
25,
26,
26,
27,
30,
29,
29,
46,
46,
31,
31,
33,
33,
34,
34,
44,
44,
35,
36,
42,
42,
37,
37,
40,
40,
39,
39
],
[
2,
41,
4,
39,
1,
41,
6,
3,
8,
38,
5,
10,
43,
40,
7,
38,
12,
37,
9,
43,
14,
45,
11,
16,
35,
36,
13,
45,
18,
15,
20,
32,
17,
22,
47,
34,
19,
32,
24,
31,
21,
47,
26,
23,
28,
30,
25,
46,
27,
30,
21,
22,
27,
28,
19,
20,
44,
36,
13,
14,
33,
42,
9,
10,
44,
35,
1,
2,
7,
8
]
] |
[
[
2.134751558303833
],
[
2.139942169189453
],
[
1.8002731800079346
],
[
1.7813605070114136
],
[
2.134751558303833
],
[
2.008427143096924
],
[
1.8589714765548706
],
[
1.8002731800079346
],
[
2.0457587242126465
],
[
1.9754917621612549
],
[
1.8589714765548706
],
[
1.9705722332000732
],
[
1.907400131225586
],
[
1.7813605070114136
],
[
2.0457587242126465
],
[
2.2611963748931885
],
[
1.7993130683898926
],
[
1.8877167701721191
],
[
1.9705722332000732
],
[
1.86922025680542
],
[
1.947439432144165
],
[
1.763452172279358
],
[
1.7993130683898926
],
[
1.9426840543746948
],
[
2.0107672214508057
],
[
1.8435779809951782
],
[
1.947439432144165
],
[
1.9563788175582886
],
[
1.9108250141143799
],
[
1.9426840543746948
],
[
2.010226249694824
],
[
2.005082607269287
],
[
1.9108250141143799
],
[
2.1742959022521973
],
[
2.160766839981079
],
[
1.9682601690292358
],
[
2.010226249694824
],
[
2.062671422958374
],
[
1.989900827407837
],
[
1.5428026914596558
],
[
2.1742959022521973
],
[
1.947601318359375
],
[
1.9513349533081055
],
[
1.989900827407837
],
[
2.1803083419799805
],
[
1.9928945302963257
],
[
1.9513349533081055
],
[
1.5428026914596558
],
[
2.1803083419799805
],
[
2.1099588871002197
],
[
2.160766839981079
],
[
1.947601318359375
],
[
1.9928945302963257
],
[
2.1099588871002197
],
[
2.005082607269287
],
[
2.062671422958374
],
[
2.0107672214508057
],
[
1.9500221014022827
],
[
1.763452172279358
],
[
1.9563788175582886
],
[
1.9682601690292358
],
[
1.8877167701721191
],
[
1.907400131225586
],
[
1.86922025680542
],
[
1.8435779809951782
],
[
1.9500221014022827
],
[
2.139942169189453
],
[
2.008427143096924
],
[
1.9754917621612549
],
[
2.2611963748931885
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
10,
17,
17,
18,
18,
19,
4,
20,
20,
1,
19,
5,
18,
7,
16,
11
],
[
1,
0,
2,
1,
3,
2,
4,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
10,
18,
17,
19,
18,
20,
4,
1,
20,
5,
19,
7,
18,
11,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
2,
2,
2,
2,
2,
2,
1,
1,
1,
0
] |
[
[
0,
0,
2,
37,
3,
3,
4,
5,
6,
7,
34,
8,
39,
9,
10,
10,
11,
12,
41,
41,
13,
13,
14,
15,
16,
17,
28,
18,
43,
19,
20,
21,
22,
22,
23,
26,
25,
25,
42,
27,
27,
29,
30,
30,
40,
40,
31,
32,
38,
33,
33,
36,
36,
35
],
[
2,
37,
4,
35,
1,
37,
6,
3,
34,
5,
36,
10,
33,
39,
12,
41,
9,
14,
31,
32,
11,
41,
16,
13,
28,
15,
30,
20,
27,
43,
22,
19,
24,
26,
21,
42,
23,
26,
18,
23,
24,
17,
40,
32,
11,
12,
29,
38,
8,
40,
31,
1,
2,
7
]
] |
[
[
2.134751558303833
],
[
2.139942169189453
],
[
1.8002731800079346
],
[
1.7813605070114136
],
[
2.134751558303833
],
[
2.008427143096924
],
[
1.8589714765548706
],
[
1.8002731800079346
],
[
1.9754917621612549
],
[
1.8589714765548706
],
[
1.7813605070114136
],
[
1.7993130683898926
],
[
1.8877167701721191
],
[
1.86922025680542
],
[
1.947439432144165
],
[
1.763452172279358
],
[
1.7993130683898926
],
[
1.9426840543746948
],
[
2.0107672214508057
],
[
1.8435779809951782
],
[
1.947439432144165
],
[
1.9563788175582886
],
[
1.9108250141143799
],
[
1.9426840543746948
],
[
2.005082607269287
],
[
1.9108250141143799
],
[
1.9682601690292358
],
[
1.989900827407837
],
[
1.5428026914596558
],
[
1.947601318359375
],
[
1.9513349533081055
],
[
1.989900827407837
],
[
2.1803083419799805
],
[
1.9928945302963257
],
[
1.9513349533081055
],
[
1.5428026914596558
],
[
2.1803083419799805
],
[
2.1099588871002197
],
[
1.947601318359375
],
[
1.9928945302963257
],
[
2.1099588871002197
],
[
2.005082607269287
],
[
2.0107672214508057
],
[
1.9500221014022827
],
[
1.763452172279358
],
[
1.9563788175582886
],
[
1.9682601690292358
],
[
1.8877167701721191
],
[
1.86922025680542
],
[
1.8435779809951782
],
[
1.9500221014022827
],
[
2.139942169189453
],
[
2.008427143096924
],
[
1.9754917621612549
]
] |
Cc1noc(C2CC3CCN(c4nnc(C)s4)CC3O2)n1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
14,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
20,
22,
22,
23,
2,
24,
24,
25,
24,
26,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
31,
32,
26,
33,
33,
34,
33,
1,
16,
5,
23,
17,
32,
27,
13,
7
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
14,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
20,
23,
22,
24,
2,
25,
24,
26,
24,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
31,
33,
26,
34,
33,
1,
33,
5,
16,
17,
23,
27,
32,
7,
13
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
52,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
]
] |
[
[
0,
0,
2,
2,
69,
69,
3,
3,
4,
46,
46,
5,
5,
6,
7,
8,
8,
9,
10,
71,
71,
11,
11,
12,
12,
13,
14,
77,
77,
15,
15,
16,
17,
18,
18,
19,
22,
21,
21,
23,
23,
24,
24,
76,
76,
25,
26,
26,
27,
27,
30,
30,
29,
29,
70,
70,
31,
31,
32,
32,
33,
33,
34,
73,
35,
35,
36,
37,
38,
38,
39,
42,
41,
41,
43,
43,
44,
72,
72,
45,
47,
47,
50,
50,
49,
49,
51,
51,
52,
52,
64,
64,
53,
53,
54,
75,
55,
55,
56,
57,
58,
59,
60,
61,
62,
74,
74,
63,
68,
68,
65,
65,
67,
67
],
[
2,
69,
4,
46,
65,
66,
1,
69,
6,
48,
50,
3,
46,
8,
5,
10,
71,
7,
12,
31,
32,
9,
71,
14,
77,
11,
16,
25,
26,
13,
77,
18,
15,
20,
22,
17,
24,
19,
22,
19,
20,
76,
26,
13,
14,
23,
28,
30,
76,
25,
70,
32,
27,
30,
9,
10,
27,
28,
34,
73,
70,
31,
36,
45,
33,
73,
38,
35,
40,
42,
37,
44,
39,
42,
39,
40,
72,
33,
34,
43,
3,
4,
52,
64,
47,
50,
47,
48,
54,
75,
68,
66,
51,
64,
56,
63,
53,
75,
58,
55,
60,
57,
62,
59,
74,
53,
54,
61,
1,
2,
51,
52,
68,
65
]
] |
[
[
2.1890721321105957
],
[
2.1081392765045166
],
[
2.2220618724823
],
[
1.8309566974639893
],
[
1.8427774906158447
],
[
2.0559864044189453
],
[
2.1890721321105957
],
[
1.9859368801116943
],
[
2.0253515243530273
],
[
2.154906749725342
],
[
1.8587965965270996
],
[
2.2220618724823
],
[
2.227229118347168
],
[
2.084869623184204
],
[
2.0253515243530273
],
[
2.003922700881958
],
[
2.089590549468994
],
[
2.084869623184204
],
[
2.060455799102783
],
[
2.0815000534057617
],
[
2.1335458755493164
],
[
2.003922700881958
],
[
2.188629388809204
],
[
2.0716772079467773
],
[
2.134450674057007
],
[
2.060455799102783
],
[
2.1061761379241943
],
[
2.1109495162963867
],
[
2.0619428157806396
],
[
2.0716772079467773
],
[
2.0768089294433594
],
[
2.0891189575195312
],
[
2.1061761379241943
],
[
2.091139793395996
],
[
2.0996365547180176
],
[
2.0891189575195312
],
[
2.0836284160614014
],
[
2.091139793395996
],
[
2.092385768890381
],
[
2.0996365547180176
],
[
2.092385768890381
],
[
2.1109495162963867
],
[
2.110064744949341
],
[
2.134450674057007
],
[
2.0768089294433594
],
[
2.0836284160614014
],
[
2.0458731651306152
],
[
2.0364341735839844
],
[
2.0619428157806396
],
[
2.110064744949341
],
[
2.0815000534057617
],
[
2.067878246307373
],
[
2.0458731651306152
],
[
2.1999847888946533
],
[
2.089590549468994
],
[
2.188629388809204
],
[
2.0364341735839844
],
[
2.1999847888946533
],
[
2.1156694889068604
],
[
2.106121063232422
],
[
2.1335458755493164
],
[
2.067878246307373
],
[
2.1099939346313477
],
[
2.1116561889648438
],
[
2.1156694889068604
],
[
2.0611987113952637
],
[
2.0888028144836426
],
[
2.1099939346313477
],
[
2.0884554386138916
],
[
2.1067142486572266
],
[
2.0888028144836426
],
[
2.087571620941162
],
[
2.0884554386138916
],
[
2.087967872619629
],
[
2.1067142486572266
],
[
2.087967872619629
],
[
2.1116561889648438
],
[
2.106121063232422
],
[
2.0611987113952637
],
[
2.087571620941162
],
[
1.8309566974639893
],
[
2.227229118347168
],
[
2.1839427947998047
],
[
1.9048740863800049
],
[
2.154906749725342
],
[
2.2686827182769775
],
[
1.8587965965270996
],
[
2.2686827182769775
],
[
2.1090073585510254
],
[
2.1162192821502686
],
[
1.8427774906158447
],
[
1.9860193729400635
],
[
2.1839427947998047
],
[
2.118678569793701
],
[
2.112623929977417
],
[
2.114342212677002
],
[
2.1090073585510254
],
[
2.0579206943511963
],
[
2.0973377227783203
],
[
2.112623929977417
],
[
2.088757038116455
],
[
2.0973377227783203
],
[
2.095304012298584
],
[
2.088757038116455
],
[
2.114342212677002
],
[
2.1162192821502686
],
[
2.0579206943511963
],
[
2.095304012298584
],
[
2.1081392765045166
],
[
1.9859368801116943
],
[
1.9048740863800049
],
[
2.118678569793701
],
[
2.0559864044189453
],
[
1.9860193729400635
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
14,
16,
17,
18,
18,
19,
19,
20,
20,
21,
20,
22,
22,
23,
2,
24,
24,
25,
24,
26,
27,
28,
28,
29,
29,
30,
30,
31,
31,
32,
26,
33,
33,
34,
33,
1,
16,
5,
23,
17,
32,
27,
13,
7
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
14,
18,
17,
19,
18,
20,
19,
21,
20,
22,
20,
23,
22,
24,
2,
25,
24,
26,
24,
28,
27,
29,
28,
30,
29,
31,
30,
32,
31,
33,
26,
34,
33,
1,
33,
5,
16,
17,
23,
27,
32,
7,
13
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
0,
0,
0,
2,
2,
2,
2,
2,
2,
0,
0
] |
[
[
0,
0,
2,
2,
65,
65,
3,
3,
4,
44,
44,
5,
5,
6,
7,
8,
8,
9,
10,
67,
11,
11,
12,
12,
13,
14,
73,
73,
15,
15,
16,
17,
18,
18,
19,
22,
21,
21,
23,
23,
24,
24,
72,
72,
25,
26,
26,
27,
27,
30,
29,
29,
66,
66,
31,
31,
32,
69,
33,
34,
35,
36,
36,
37,
40,
39,
39,
41,
41,
42,
68,
43,
45,
45,
48,
47,
47,
49,
49,
60,
60,
50,
71,
51,
52,
53,
54,
55,
56,
57,
58,
70,
59,
64,
64,
61,
63,
63
],
[
2,
65,
4,
44,
61,
62,
1,
65,
6,
46,
48,
3,
44,
8,
5,
10,
67,
7,
12,
31,
9,
67,
14,
73,
11,
16,
25,
26,
13,
73,
18,
15,
20,
22,
17,
24,
19,
22,
19,
20,
72,
26,
13,
14,
23,
28,
30,
72,
25,
66,
27,
30,
9,
10,
27,
28,
34,
43,
69,
36,
33,
38,
40,
35,
42,
37,
40,
37,
38,
68,
32,
41,
3,
4,
60,
45,
48,
45,
46,
64,
62,
52,
59,
71,
54,
51,
56,
53,
58,
55,
70,
50,
57,
1,
2,
49,
64,
61
]
] |
[
[
2.1890721321105957
],
[
2.1081392765045166
],
[
2.2220618724823
],
[
1.8309566974639893
],
[
1.8427774906158447
],
[
2.0559864044189453
],
[
2.1890721321105957
],
[
1.9859368801116943
],
[
2.0253515243530273
],
[
2.154906749725342
],
[
1.8587965965270996
],
[
2.2220618724823
],
[
2.227229118347168
],
[
2.084869623184204
],
[
2.0253515243530273
],
[
2.003922700881958
],
[
2.089590549468994
],
[
2.084869623184204
],
[
2.060455799102783
],
[
2.0815000534057617
],
[
2.003922700881958
],
[
2.188629388809204
],
[
2.0716772079467773
],
[
2.134450674057007
],
[
2.060455799102783
],
[
2.1061761379241943
],
[
2.1109495162963867
],
[
2.0619428157806396
],
[
2.0716772079467773
],
[
2.0768089294433594
],
[
2.0891189575195312
],
[
2.1061761379241943
],
[
2.091139793395996
],
[
2.0996365547180176
],
[
2.0891189575195312
],
[
2.0836284160614014
],
[
2.091139793395996
],
[
2.092385768890381
],
[
2.0996365547180176
],
[
2.092385768890381
],
[
2.1109495162963867
],
[
2.110064744949341
],
[
2.134450674057007
],
[
2.0768089294433594
],
[
2.0836284160614014
],
[
2.0458731651306152
],
[
2.0364341735839844
],
[
2.0619428157806396
],
[
2.110064744949341
],
[
2.0815000534057617
],
[
2.0458731651306152
],
[
2.1999847888946533
],
[
2.089590549468994
],
[
2.188629388809204
],
[
2.0364341735839844
],
[
2.1999847888946533
],
[
2.1099939346313477
],
[
2.1116561889648438
],
[
2.0611987113952637
],
[
2.0888028144836426
],
[
2.1099939346313477
],
[
2.0884554386138916
],
[
2.1067142486572266
],
[
2.0888028144836426
],
[
2.087571620941162
],
[
2.0884554386138916
],
[
2.087967872619629
],
[
2.1067142486572266
],
[
2.087967872619629
],
[
2.1116561889648438
],
[
2.0611987113952637
],
[
2.087571620941162
],
[
1.8309566974639893
],
[
2.227229118347168
],
[
1.9048740863800049
],
[
2.154906749725342
],
[
2.2686827182769775
],
[
1.8587965965270996
],
[
2.2686827182769775
],
[
1.8427774906158447
],
[
1.9860193729400635
],
[
2.112623929977417
],
[
2.114342212677002
],
[
2.0579206943511963
],
[
2.0973377227783203
],
[
2.112623929977417
],
[
2.088757038116455
],
[
2.0973377227783203
],
[
2.095304012298584
],
[
2.088757038116455
],
[
2.114342212677002
],
[
2.0579206943511963
],
[
2.095304012298584
],
[
2.1081392765045166
],
[
1.9859368801116943
],
[
1.9048740863800049
],
[
2.0559864044189453
],
[
1.9860193729400635
]
] |
Cc1c(N=Cc2nc3ccc(I)cc3c(=O)n2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C
|
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
11,
20,
20,
21,
7,
22,
22,
23,
23,
4,
21,
8,
18,
13
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
11,
21,
20,
22,
7,
23,
22,
4,
23,
8,
21,
13,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
2,
2,
3,
6,
6,
5,
5,
7,
7,
8,
47,
9,
9,
10,
11,
12,
12,
13,
14,
14,
42,
15,
15,
16,
49,
17,
17,
18,
19,
20,
20,
21,
22,
38,
23,
23,
24,
24,
25,
26,
51,
51,
27,
27,
28,
29,
30,
31,
32,
33,
34,
34,
50,
50,
35,
37,
37,
39,
39,
40,
48,
48,
41,
43,
43,
44,
46,
46,
45
],
[
2,
4,
6,
1,
8,
47,
3,
6,
3,
4,
10,
45,
7,
47,
12,
9,
14,
42,
11,
16,
49,
44,
13,
42,
18,
41,
15,
49,
20,
17,
22,
38,
19,
24,
40,
21,
38,
26,
51,
23,
28,
35,
36,
25,
51,
30,
27,
32,
29,
34,
31,
50,
36,
25,
26,
33,
50,
35,
21,
22,
48,
15,
16,
39,
13,
14,
46,
7,
8,
43
]
] |
[
[
2.131500482559204
],
[
2.162113904953003
],
[
2.010633945465088
],
[
2.131500482559204
],
[
2.1156458854675293
],
[
2.0396032333374023
],
[
2.162113904953003
],
[
2.110377550125122
],
[
2.010633945465088
],
[
2.110377550125122
],
[
2.059971332550049
],
[
2.081723690032959
],
[
2.1156458854675293
],
[
2.127910614013672
],
[
2.099276542663574
],
[
2.059971332550049
],
[
2.086608409881592
],
[
2.0776400566101074
],
[
2.099276542663574
],
[
1.9590781927108765
],
[
1.958388328552246
],
[
2.119589328765869
],
[
2.086608409881592
],
[
2.1184635162353516
],
[
1.9131617546081543
],
[
1.913466215133667
],
[
1.9590781927108765
],
[
1.9878840446472168
],
[
1.9296865463256836
],
[
1.9131617546081543
],
[
1.8693361282348633
],
[
1.9040368795394897
],
[
1.9296865463256836
],
[
2.084533214569092
],
[
1.93233323097229
],
[
1.8693361282348633
],
[
1.9243278503417969
],
[
1.9843522310256958
],
[
2.2334773540496826
],
[
2.084533214569092
],
[
2.1113057136535645
],
[
2.1112098693847656
],
[
2.126789093017578
],
[
1.9843522310256958
],
[
2.0652592182159424
],
[
2.0940380096435547
],
[
2.1113057136535645
],
[
2.087697982788086
],
[
2.0940380096435547
],
[
2.0967631340026855
],
[
2.087697982788086
],
[
2.1112098693847656
],
[
2.0450921058654785
],
[
2.2334773540496826
],
[
2.0652592182159424
],
[
2.0967631340026855
],
[
2.126789093017578
],
[
2.0450921058654785
],
[
1.9040368795394897
],
[
1.9243278503417969
],
[
1.913466215133667
],
[
1.958388328552246
],
[
1.9878840446472168
],
[
1.93233323097229
],
[
2.0776400566101074
],
[
2.1184635162353516
],
[
2.081723690032959
],
[
2.0396032333374023
],
[
2.127910614013672
],
[
2.119589328765869
]
] |
[
[
0,
1,
2,
3,
4,
5,
5,
6,
6,
7,
8,
9,
9,
10,
10,
11,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
11,
20,
20,
21,
7,
22,
22,
23,
23,
4,
21,
8,
18,
13
],
[
1,
0,
3,
2,
5,
4,
6,
5,
7,
6,
9,
8,
10,
9,
11,
10,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
11,
21,
20,
22,
7,
23,
22,
4,
23,
8,
21,
13,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
2,
2,
2,
2,
3,
3,
3,
3,
4,
5,
5,
5,
5,
5,
5,
5,
3,
3,
2,
2
] |
[
[
4,
37,
5,
6,
7,
8,
9,
32,
10,
39,
11,
12,
13,
14,
15,
28,
16,
41,
41,
17,
18,
19,
20,
21,
22,
23,
24,
24,
40,
25,
27,
27,
29,
30,
38,
31,
33,
34,
36,
35
],
[
6,
35,
37,
8,
5,
32,
7,
34,
12,
31,
39,
14,
11,
28,
13,
30,
18,
25,
26,
41,
20,
17,
22,
19,
24,
21,
40,
26,
16,
23,
40,
25,
15,
38,
10,
29,
9,
36,
4,
33
]
] |
[
[
2.059971332550049
],
[
2.081723690032959
],
[
2.127910614013672
],
[
2.099276542663574
],
[
2.059971332550049
],
[
2.0776400566101074
],
[
2.099276542663574
],
[
2.119589328765869
],
[
1.9131617546081543
],
[
1.913466215133667
],
[
1.9878840446472168
],
[
1.9296865463256836
],
[
1.9131617546081543
],
[
1.9040368795394897
],
[
1.9296865463256836
],
[
1.93233323097229
],
[
2.1113057136535645
],
[
2.1112098693847656
],
[
2.126789093017578
],
[
2.0652592182159424
],
[
2.0940380096435547
],
[
2.1113057136535645
],
[
2.087697982788086
],
[
2.0940380096435547
],
[
2.0967631340026855
],
[
2.087697982788086
],
[
2.1112098693847656
],
[
2.0450921058654785
],
[
2.0652592182159424
],
[
2.0967631340026855
],
[
2.126789093017578
],
[
2.0450921058654785
],
[
1.9040368795394897
],
[
1.913466215133667
],
[
1.9878840446472168
],
[
1.93233323097229
],
[
2.0776400566101074
],
[
2.081723690032959
],
[
2.127910614013672
],
[
2.119589328765869
]
] |
CNC(=O)c1ccc(N2CCC(Oc3ccccc3F)CC2)nn1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
12,
19,
19,
20,
5,
21,
21,
1,
20,
7,
19,
9,
18,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
12,
20,
19,
21,
5,
1,
21,
7,
20,
9,
19,
16,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
43,
3,
3,
4,
5,
6,
7,
8,
8,
9,
10,
40,
11,
11,
12,
12,
13,
14,
45,
15,
15,
16,
16,
17,
18,
47,
47,
19,
19,
20,
21,
22,
22,
23,
24,
36,
36,
25,
25,
26,
27,
28,
29,
30,
30,
31,
32,
49,
33,
33,
34,
48,
48,
35,
46,
46,
37,
37,
38,
44,
44,
39,
39,
42,
42,
41,
41
],
[
2,
43,
4,
41,
1,
43,
6,
3,
8,
5,
10,
40,
7,
12,
42,
9,
40,
14,
45,
11,
16,
39,
13,
45,
18,
47,
15,
20,
37,
38,
17,
47,
22,
19,
24,
36,
21,
26,
46,
38,
23,
36,
28,
25,
30,
27,
32,
49,
29,
34,
35,
31,
49,
48,
31,
32,
33,
17,
18,
23,
24,
44,
13,
14,
46,
37,
1,
2,
9,
10
]
] |
[
[
2.095425844192505
],
[
2.047149896621704
],
[
2.073546886444092
],
[
2.058729410171509
],
[
2.095425844192505
],
[
2.1405739784240723
],
[
2.0826404094696045
],
[
2.073546886444092
],
[
2.0734829902648926
],
[
2.0826404094696045
],
[
2.0968880653381348
],
[
2.1372742652893066
],
[
2.0734829902648926
],
[
1.9761419296264648
],
[
2.058729410171509
],
[
2.0968880653381348
],
[
2.0485925674438477
],
[
1.9558534622192383
],
[
1.9481858015060425
],
[
1.9761419296264648
],
[
1.7554274797439575
],
[
1.7725187540054321
],
[
1.9558534622192383
],
[
1.911615014076233
],
[
2.412780284881592
],
[
1.982257604598999
],
[
1.7554274797439575
],
[
1.9418554306030273
],
[
1.8417587280273438
],
[
1.936755657196045
],
[
2.412780284881592
],
[
1.888059139251709
],
[
1.8260583877563477
],
[
1.9418554306030273
],
[
2.119011402130127
],
[
1.9269955158233643
],
[
1.8260583877563477
],
[
1.9789766073226929
],
[
1.8417587280273438
],
[
2.5046253204345703
],
[
2.119011402130127
],
[
2.237149238586426
],
[
1.952512264251709
],
[
1.9789766073226929
],
[
1.8817439079284668
],
[
1.952512264251709
],
[
2.103586196899414
],
[
2.1070775985717773
],
[
1.8817439079284668
],
[
1.0481326580047607
],
[
1.0484485626220703
],
[
2.103586196899414
],
[
1.0450345277786255
],
[
1.0484485626220703
],
[
2.1070775985717773
],
[
1.0450345277786255
],
[
1.0481326580047607
],
[
1.982257604598999
],
[
1.888059139251709
],
[
1.9269955158233643
],
[
2.237149238586426
],
[
1.7725187540054321
],
[
1.9481858015060425
],
[
1.911615014076233
],
[
1.936755657196045
],
[
2.5046253204345703
],
[
2.047149896621704
],
[
2.1405739784240723
],
[
2.1372742652893066
],
[
2.0485925674438477
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
16,
17,
17,
18,
12,
19,
19,
20,
5,
21,
21,
1,
20,
7,
19,
9,
18,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
17,
16,
18,
17,
19,
12,
20,
19,
21,
5,
1,
21,
7,
20,
9,
19,
16,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
0,
0,
1,
2,
2,
2,
2,
2,
2,
3,
4,
5,
6,
6,
6,
2,
2,
0
] |
[
[
0,
0,
2,
31,
3,
3,
4,
5,
6,
7,
8,
9,
28,
10,
33,
11,
12,
12,
13,
14,
35,
35,
15,
15,
16,
17,
18,
19,
24,
24,
20,
37,
21,
22,
36,
23,
34,
34,
25,
26,
32,
27,
27,
30,
30,
29
],
[
2,
31,
4,
29,
1,
31,
6,
3,
8,
5,
28,
7,
30,
12,
27,
33,
14,
35,
11,
16,
25,
26,
13,
35,
18,
15,
24,
17,
34,
26,
22,
23,
37,
36,
20,
21,
13,
14,
19,
32,
10,
34,
25,
1,
2,
9
]
] |
[
[
2.095425844192505
],
[
2.047149896621704
],
[
2.073546886444092
],
[
2.058729410171509
],
[
2.095425844192505
],
[
2.1405739784240723
],
[
2.0826404094696045
],
[
2.073546886444092
],
[
2.0734829902648926
],
[
2.0826404094696045
],
[
2.1372742652893066
],
[
2.0734829902648926
],
[
2.058729410171509
],
[
1.7554274797439575
],
[
1.7725187540054321
],
[
1.911615014076233
],
[
2.412780284881592
],
[
1.982257604598999
],
[
1.7554274797439575
],
[
1.9418554306030273
],
[
1.8417587280273438
],
[
1.936755657196045
],
[
2.412780284881592
],
[
1.888059139251709
],
[
1.8260583877563477
],
[
1.9418554306030273
],
[
1.9269955158233643
],
[
1.8260583877563477
],
[
1.8417587280273438
],
[
2.5046253204345703
],
[
1.0481326580047607
],
[
1.0484485626220703
],
[
1.0450345277786255
],
[
1.0484485626220703
],
[
1.0450345277786255
],
[
1.0481326580047607
],
[
1.982257604598999
],
[
1.888059139251709
],
[
1.9269955158233643
],
[
1.7725187540054321
],
[
1.911615014076233
],
[
1.936755657196045
],
[
2.5046253204345703
],
[
2.047149896621704
],
[
2.1405739784240723
],
[
2.1372742652893066
]
] |
Cc1cccc(CN2Cc3[nH]nc(COCC4CC4)c3C2)n1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
20,
21,
21,
22,
22,
23,
8,
24,
24,
25,
25,
26,
7,
27,
27,
28,
28,
29,
25,
5,
29,
6,
19,
14,
23,
17
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
20,
22,
21,
23,
22,
24,
8,
25,
24,
26,
25,
27,
7,
28,
27,
29,
28,
5,
25,
6,
29,
14,
19,
17,
23
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
4,
3,
3,
5,
5,
6,
7,
8,
8,
9,
10,
10,
59,
59,
11,
11,
12,
12,
61,
13,
13,
14,
14,
52,
15,
15,
16,
46,
17,
17,
18,
19,
20,
20,
21,
24,
23,
23,
25,
25,
26,
26,
27,
28,
63,
29,
29,
30,
31,
32,
32,
33,
34,
34,
65,
35,
35,
36,
38,
62,
62,
37,
37,
39,
39,
40,
41,
42,
43,
44,
64,
64,
45,
47,
47,
48,
48,
58,
58,
49,
51,
51,
53,
53,
54,
55,
56,
60,
60,
57
],
[
2,
4,
6,
1,
4,
1,
2,
8,
5,
10,
59,
7,
12,
61,
49,
50,
9,
59,
14,
52,
57,
11,
61,
16,
46,
54,
13,
52,
18,
48,
15,
46,
20,
17,
22,
24,
19,
26,
21,
24,
21,
22,
28,
63,
25,
30,
37,
27,
63,
32,
29,
34,
65,
31,
36,
38,
45,
33,
65,
62,
40,
27,
28,
35,
38,
35,
36,
42,
39,
44,
41,
64,
33,
34,
43,
15,
16,
58,
50,
9,
10,
47,
58,
49,
13,
14,
56,
53,
60,
11,
12,
55
]
] |
[
[
1.9093403816223145
],
[
1.9435453414916992
],
[
1.9893417358398438
],
[
1.9093403816223145
],
[
1.9142718315124512
],
[
1.9435453414916992
],
[
1.9142718315124512
],
[
1.951171636581421
],
[
1.9893417358398438
],
[
2.1193737983703613
],
[
2.058314323425293
],
[
1.951171636581421
],
[
2.1258206367492676
],
[
2.2082858085632324
],
[
2.071475028991699
],
[
2.1100401878356934
],
[
2.1193737983703613
],
[
2.104579210281372
],
[
2.003032684326172
],
[
1.9786690473556519
],
[
1.7872503995895386
],
[
2.1258206367492676
],
[
1.9488770961761475
],
[
2.027109146118164
],
[
2.192596912384033
],
[
1.77849543094635
],
[
2.003032684326172
],
[
2.300917625427246
],
[
1.7057559490203857
],
[
2.0680816173553467
],
[
2.027109146118164
],
[
2.0633769035339355
],
[
1.9032018184661865
],
[
1.7057559490203857
],
[
2.11236572265625
],
[
1.9663408994674683
],
[
1.9032018184661865
],
[
2.2285451889038086
],
[
2.11236572265625
],
[
2.2036616802215576
],
[
1.9663408994674683
],
[
2.2036616802215576
],
[
2.164222478866577
],
[
2.0426154136657715
],
[
2.2285451889038086
],
[
2.102675199508667
],
[
2.1038308143615723
],
[
2.164222478866577
],
[
2.076319694519043
],
[
2.0969202518463135
],
[
2.102675199508667
],
[
2.0902085304260254
],
[
2.041278839111328
],
[
2.0969202518463135
],
[
2.0958521366119385
],
[
2.150804281234741
],
[
1.944699764251709
],
[
2.0902085304260254
],
[
2.1516501903533936
],
[
2.1038308143615723
],
[
1.943235158920288
],
[
2.0426154136657715
],
[
2.076319694519043
],
[
2.0958521366119385
],
[
2.0364766120910645
],
[
2.150804281234741
],
[
2.0364766120910645
],
[
1.930801272392273
],
[
1.943235158920288
],
[
1.9313364028930664
],
[
1.930801272392273
],
[
1.944699764251709
],
[
2.041278839111328
],
[
2.1516501903533936
],
[
1.9313364028930664
],
[
2.192596912384033
],
[
2.0633769035339355
],
[
2.071475028991699
],
[
2.1016128063201904
],
[
2.058314323425293
],
[
2.104579210281372
],
[
2.0680816173553467
],
[
2.1100401878356934
],
[
2.1016128063201904
],
[
1.9786690473556519
],
[
2.300917625427246
],
[
1.8670711517333984
],
[
1.77849543094635
],
[
1.7872503995895386
],
[
2.2082858085632324
],
[
1.9488770961761475
],
[
1.8670711517333984
]
] |
[
[
0,
1,
1,
2,
3,
4,
5,
6,
6,
7,
7,
8,
10,
11,
11,
12,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
20,
21,
21,
22,
22,
23,
8,
24,
24,
25,
25,
26,
7,
27,
27,
28,
28,
29,
25,
5,
29,
6,
19,
14,
23,
17
],
[
1,
0,
2,
1,
4,
3,
6,
5,
7,
6,
8,
7,
11,
10,
12,
11,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
20,
22,
21,
23,
22,
24,
8,
25,
24,
26,
25,
27,
7,
28,
27,
29,
28,
5,
25,
6,
29,
14,
19,
17,
23
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
0,
0,
0,
1,
1,
2,
2,
2,
2,
3,
4,
4,
4,
5,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
2,
2,
2,
2,
2,
2
] |
[
[
0,
3,
6,
6,
47,
47,
7,
8,
8,
49,
9,
9,
10,
40,
11,
11,
34,
12,
15,
16,
51,
17,
18,
19,
20,
20,
21,
22,
22,
53,
23,
23,
24,
26,
50,
25,
25,
27,
27,
28,
29,
30,
31,
32,
52,
52,
33,
35,
36,
36,
46,
37,
39,
39,
41,
41,
42,
43,
44,
48,
48,
45
],
[
2,
1,
8,
49,
37,
38,
47,
10,
40,
45,
7,
49,
34,
42,
9,
40,
36,
14,
13,
18,
25,
51,
20,
17,
22,
53,
19,
24,
26,
33,
21,
53,
50,
28,
16,
23,
26,
23,
24,
30,
27,
32,
29,
52,
21,
22,
31,
11,
46,
38,
6,
35,
46,
37,
9,
10,
44,
41,
48,
7,
8,
43
]
] |
[
[
1.9093403816223145
],
[
1.9093403816223145
],
[
2.1258206367492676
],
[
2.2082858085632324
],
[
2.071475028991699
],
[
2.1100401878356934
],
[
2.104579210281372
],
[
2.003032684326172
],
[
1.9786690473556519
],
[
1.7872503995895386
],
[
2.1258206367492676
],
[
1.9488770961761475
],
[
2.192596912384033
],
[
1.77849543094635
],
[
2.003032684326172
],
[
2.300917625427246
],
[
2.0680816173553467
],
[
2.11236572265625
],
[
2.11236572265625
],
[
2.102675199508667
],
[
2.1038308143615723
],
[
2.076319694519043
],
[
2.0969202518463135
],
[
2.102675199508667
],
[
2.0902085304260254
],
[
2.041278839111328
],
[
2.0969202518463135
],
[
2.0958521366119385
],
[
2.150804281234741
],
[
1.944699764251709
],
[
2.0902085304260254
],
[
2.1516501903533936
],
[
2.1038308143615723
],
[
1.943235158920288
],
[
2.076319694519043
],
[
2.0958521366119385
],
[
2.0364766120910645
],
[
2.150804281234741
],
[
2.0364766120910645
],
[
1.930801272392273
],
[
1.943235158920288
],
[
1.9313364028930664
],
[
1.930801272392273
],
[
1.944699764251709
],
[
2.041278839111328
],
[
2.1516501903533936
],
[
1.9313364028930664
],
[
2.192596912384033
],
[
2.071475028991699
],
[
2.1016128063201904
],
[
2.104579210281372
],
[
2.0680816173553467
],
[
2.1100401878356934
],
[
2.1016128063201904
],
[
1.9786690473556519
],
[
2.300917625427246
],
[
1.8670711517333984
],
[
1.77849543094635
],
[
1.7872503995895386
],
[
2.2082858085632324
],
[
1.9488770961761475
],
[
1.8670711517333984
]
] |
CN(C)CCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc1=O)CCC2
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
19,
21,
14,
22,
22,
23,
23,
24,
4,
25,
25,
1,
24,
7,
24,
12,
21,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
19,
22,
14,
23,
22,
24,
23,
25,
4,
1,
25,
7,
24,
12,
24,
16,
21
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
51,
3,
3,
4,
5,
6,
6,
7,
8,
48,
9,
9,
10,
11,
12,
12,
13,
14,
14,
53,
53,
15,
15,
18,
17,
17,
19,
19,
20,
21,
22,
22,
23,
24,
55,
55,
25,
25,
26,
26,
27,
28,
42,
29,
29,
30,
30,
31,
32,
57,
33,
33,
34,
35,
36,
36,
37,
40,
39,
39,
56,
56,
41,
41,
43,
43,
44,
45,
46,
46,
52,
52,
54,
54,
47,
50,
50,
49,
49
],
[
2,
51,
4,
49,
1,
51,
6,
3,
8,
48,
5,
10,
50,
7,
48,
12,
9,
14,
53,
11,
16,
18,
54,
47,
13,
53,
20,
15,
18,
15,
16,
22,
19,
24,
55,
21,
26,
52,
47,
23,
55,
28,
42,
25,
30,
44,
27,
42,
32,
57,
29,
34,
41,
31,
57,
36,
33,
38,
40,
35,
56,
37,
40,
31,
32,
37,
38,
27,
28,
46,
43,
52,
54,
13,
14,
23,
24,
45,
1,
2,
7,
8
]
] |
[
[
2.332125425338745
],
[
2.028562068939209
],
[
1.85663640499115
],
[
1.8674488067626953
],
[
2.332125425338745
],
[
1.9224709272384644
],
[
1.8551298379898071
],
[
1.85663640499115
],
[
2.328684091567993
],
[
1.9230666160583496
],
[
1.8551298379898071
],
[
1.941628098487854
],
[
1.8674488067626953
],
[
2.328684091567993
],
[
2.031406879425049
],
[
1.9616855382919312
],
[
1.941628098487854
],
[
2.050586462020874
],
[
2.117673873901367
],
[
1.9616855382919312
],
[
2.1571404933929443
],
[
2.0065789222717285
],
[
1.8959901332855225
],
[
2.0196967124938965
],
[
2.050586462020874
],
[
2.070164918899536
],
[
1.9818686246871948
],
[
2.1571404933929443
],
[
2.1169273853302
],
[
2.0065789222717285
],
[
2.1169273853302
],
[
1.9891115427017212
],
[
1.9818686246871948
],
[
1.9474576711654663
],
[
1.9564188718795776
],
[
1.9891115427017212
],
[
1.9341787099838257
],
[
1.8959901332855225
],
[
1.901063323020935
],
[
1.9474576711654663
],
[
1.934796690940857
],
[
1.952339768409729
],
[
1.9374574422836304
],
[
1.9341787099838257
],
[
1.9349751472473145
],
[
1.9407787322998047
],
[
1.952339768409729
],
[
1.920351505279541
],
[
2.2229275703430176
],
[
2.2507243156433105
],
[
1.9349751472473145
],
[
1.9699151515960693
],
[
1.8598341941833496
],
[
2.2229275703430176
],
[
1.8094450235366821
],
[
1.8064963817596436
],
[
1.9699151515960693
],
[
2.0872342586517334
],
[
1.9790338277816772
],
[
1.8064963817596436
],
[
1.8598341941833496
],
[
2.0872342586517334
],
[
2.2168161869049072
],
[
2.2507243156433105
],
[
1.8094450235366821
],
[
1.9790338277816772
],
[
2.2168161869049072
],
[
1.9374574422836304
],
[
1.920351505279541
],
[
1.9364348649978638
],
[
1.9407787322998047
],
[
2.0196967124938965
],
[
1.901063323020935
],
[
2.117673873901367
],
[
2.070164918899536
],
[
1.9564188718795776
],
[
1.934796690940857
],
[
1.9364348649978638
],
[
2.028562068939209
],
[
1.9224709272384644
],
[
1.9230666160583496
],
[
2.031406879425049
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
5,
6,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
12,
13,
13,
14,
16,
17,
17,
18,
18,
19,
19,
20,
19,
21,
14,
22,
22,
23,
23,
24,
4,
25,
25,
1,
24,
7,
24,
12,
21,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
6,
5,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
12,
14,
13,
17,
16,
18,
17,
19,
18,
20,
19,
21,
19,
22,
14,
23,
22,
24,
23,
25,
4,
1,
25,
7,
24,
12,
24,
16,
21
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
1,
1,
2,
2,
2,
2,
2,
2,
2,
2,
3,
4,
4,
4,
4,
4,
4,
2,
2,
2,
0
] |
[
[
0,
0,
2,
43,
3,
3,
4,
5,
6,
7,
40,
10,
10,
45,
45,
11,
14,
13,
13,
15,
15,
16,
17,
18,
18,
19,
20,
47,
47,
21,
21,
22,
23,
34,
24,
49,
25,
26,
27,
28,
28,
29,
32,
31,
31,
48,
33,
33,
35,
36,
37,
38,
38,
44,
46,
46,
39,
42,
42,
41
],
[
2,
43,
4,
41,
1,
43,
6,
3,
40,
5,
42,
12,
14,
46,
39,
45,
16,
11,
14,
11,
12,
18,
15,
20,
47,
17,
22,
44,
39,
19,
47,
34,
21,
36,
26,
33,
49,
28,
25,
30,
32,
27,
48,
29,
32,
24,
29,
30,
23,
38,
35,
44,
46,
10,
19,
20,
37,
1,
2,
7
]
] |
[
[
2.332125425338745
],
[
2.028562068939209
],
[
1.85663640499115
],
[
1.8674488067626953
],
[
2.332125425338745
],
[
1.9224709272384644
],
[
1.8551298379898071
],
[
1.85663640499115
],
[
1.9230666160583496
],
[
1.8551298379898071
],
[
1.8674488067626953
],
[
2.1571404933929443
],
[
2.0065789222717285
],
[
1.8959901332855225
],
[
2.0196967124938965
],
[
2.070164918899536
],
[
1.9818686246871948
],
[
2.1571404933929443
],
[
2.1169273853302
],
[
2.0065789222717285
],
[
2.1169273853302
],
[
1.9891115427017212
],
[
1.9818686246871948
],
[
1.9474576711654663
],
[
1.9564188718795776
],
[
1.9891115427017212
],
[
1.9341787099838257
],
[
1.8959901332855225
],
[
1.901063323020935
],
[
1.9474576711654663
],
[
1.934796690940857
],
[
1.9374574422836304
],
[
1.9341787099838257
],
[
1.9407787322998047
],
[
1.9699151515960693
],
[
1.8598341941833496
],
[
1.8094450235366821
],
[
1.8064963817596436
],
[
1.9699151515960693
],
[
2.0872342586517334
],
[
1.9790338277816772
],
[
1.8064963817596436
],
[
1.8598341941833496
],
[
2.0872342586517334
],
[
2.2168161869049072
],
[
1.8094450235366821
],
[
1.9790338277816772
],
[
2.2168161869049072
],
[
1.9374574422836304
],
[
1.9364348649978638
],
[
1.9407787322998047
],
[
2.0196967124938965
],
[
1.901063323020935
],
[
2.070164918899536
],
[
1.9564188718795776
],
[
1.934796690940857
],
[
1.9364348649978638
],
[
2.028562068939209
],
[
1.9224709272384644
],
[
1.9230666160583496
]
] |
Cc1ccc(CCN2C(=O)CCC3CN(Cc4cnn(C)c4)CCC32)o1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
1,
14,
14,
15,
15,
16,
16,
17,
16,
18,
18,
19,
18,
20,
20,
21,
21,
22,
21,
23,
20,
24,
13,
4,
24,
14,
12,
7
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
1,
15,
14,
16,
15,
17,
16,
18,
16,
19,
18,
20,
18,
21,
20,
22,
21,
23,
21,
24,
20,
4,
13,
14,
24,
7,
12
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
6,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
4,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
26,
26,
3,
3,
4,
5,
6,
6,
7,
8,
49,
9,
9,
10,
11,
12,
12,
13,
14,
53,
53,
15,
15,
16,
17,
18,
19,
20,
21,
22,
22,
52,
52,
23,
24,
48,
48,
25,
25,
27,
27,
28,
51,
29,
29,
30,
30,
31,
34,
34,
33,
33,
35,
35,
38,
38,
37,
37,
39,
39,
40,
40,
46,
41,
41,
43,
43,
45,
45,
50,
50,
47,
47
],
[
2,
26,
4,
28,
51,
1,
26,
6,
3,
8,
49,
5,
10,
25,
7,
49,
12,
9,
14,
53,
11,
16,
23,
24,
13,
53,
18,
15,
20,
17,
22,
19,
52,
24,
13,
14,
21,
48,
7,
8,
52,
23,
1,
2,
30,
47,
27,
51,
32,
34,
29,
36,
38,
31,
34,
31,
32,
40,
46,
35,
38,
35,
36,
42,
44,
50,
39,
46,
41,
44,
41,
42,
27,
28,
39,
40
]
] |
[
[
2.1198439598083496
],
[
2.068124532699585
],
[
1.9243838787078857
],
[
2.132551431655884
],
[
2.0626604557037354
],
[
2.1198439598083496
],
[
2.0945491790771484
],
[
2.0408847332000732
],
[
1.9243838787078857
],
[
2.198634624481201
],
[
2.0006792545318604
],
[
2.0408847332000732
],
[
2.0955047607421875
],
[
2.1163697242736816
],
[
2.198634624481201
],
[
2.0838205814361572
],
[
2.111224412918091
],
[
2.0955047607421875
],
[
2.121443748474121
],
[
2.0791385173797607
],
[
2.111224412918091
],
[
2.10674786567688
],
[
2.081775665283203
],
[
2.0802345275878906
],
[
2.121443748474121
],
[
2.0825774669647217
],
[
2.0940659046173096
],
[
2.10674786567688
],
[
2.0940234661102295
],
[
2.0940659046173096
],
[
2.107131004333496
],
[
2.0940234661102295
],
[
2.081775665283203
],
[
2.121150493621826
],
[
2.0791385173797607
],
[
2.0825774669647217
],
[
2.107131004333496
],
[
2.1163697242736816
],
[
2.0006792545318604
],
[
2.0838205814361572
],
[
2.0802345275878906
],
[
2.121150493621826
],
[
2.068124532699585
],
[
2.0945491790771484
],
[
2.0835790634155273
],
[
2.09774112701416
],
[
2.132551431655884
],
[
2.0876851081848145
],
[
2.0654830932617188
],
[
2.1275291442871094
],
[
2.0835790634155273
],
[
2.0121970176696777
],
[
2.0733087062835693
],
[
2.0654830932617188
],
[
2.090141773223877
],
[
2.1275291442871094
],
[
2.090141773223877
],
[
2.1089766025543213
],
[
2.096426010131836
],
[
2.0121970176696777
],
[
2.1976518630981445
],
[
2.0733087062835693
],
[
2.1976518630981445
],
[
2.0447192192077637
],
[
2.0643556118011475
],
[
2.09774112701416
],
[
2.1089766025543213
],
[
2.077758550643921
],
[
2.0447192192077637
],
[
2.1740808486938477
],
[
2.0643556118011475
],
[
2.1740808486938477
],
[
2.0626604557037354
],
[
2.0876851081848145
],
[
2.096426010131836
],
[
2.077758550643921
]
] |
[
[
0,
1,
1,
2,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
14,
15,
15,
16,
16,
17,
16,
18,
18,
19,
18,
20,
20,
21,
21,
22,
21,
23,
20,
24,
13,
4,
24,
14,
12,
7
],
[
1,
0,
2,
1,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
15,
14,
16,
15,
17,
16,
18,
16,
19,
18,
20,
18,
21,
20,
22,
21,
23,
21,
24,
20,
4,
13,
14,
24,
7,
12
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3
] |
[
[
0,
3,
4,
43,
5,
6,
7,
8,
8,
9,
10,
47,
47,
11,
11,
12,
13,
14,
15,
16,
17,
18,
18,
46,
46,
19,
20,
42,
21,
21,
22,
45,
23,
24,
24,
25,
28,
28,
27,
27,
29,
29,
32,
32,
31,
31,
33,
33,
34,
34,
40,
35,
35,
37,
37,
39,
39,
44,
41,
41
],
[
2,
1,
6,
21,
43,
8,
5,
10,
47,
7,
12,
19,
20,
9,
47,
14,
11,
16,
13,
18,
15,
46,
20,
9,
10,
17,
42,
4,
46,
19,
24,
41,
45,
26,
28,
23,
30,
32,
25,
28,
25,
26,
34,
40,
29,
32,
29,
30,
36,
38,
44,
33,
40,
35,
38,
35,
36,
22,
33,
34
]
] |
[
[
2.1198439598083496
],
[
2.1198439598083496
],
[
2.0955047607421875
],
[
2.1163697242736816
],
[
2.0838205814361572
],
[
2.111224412918091
],
[
2.0955047607421875
],
[
2.121443748474121
],
[
2.0791385173797607
],
[
2.111224412918091
],
[
2.10674786567688
],
[
2.081775665283203
],
[
2.0802345275878906
],
[
2.121443748474121
],
[
2.0825774669647217
],
[
2.0940659046173096
],
[
2.10674786567688
],
[
2.0940234661102295
],
[
2.0940659046173096
],
[
2.107131004333496
],
[
2.0940234661102295
],
[
2.081775665283203
],
[
2.121150493621826
],
[
2.0791385173797607
],
[
2.0825774669647217
],
[
2.107131004333496
],
[
2.1163697242736816
],
[
2.0838205814361572
],
[
2.0802345275878906
],
[
2.121150493621826
],
[
2.0835790634155273
],
[
2.09774112701416
],
[
2.0876851081848145
],
[
2.0654830932617188
],
[
2.1275291442871094
],
[
2.0835790634155273
],
[
2.0121970176696777
],
[
2.0733087062835693
],
[
2.0654830932617188
],
[
2.090141773223877
],
[
2.1275291442871094
],
[
2.090141773223877
],
[
2.1089766025543213
],
[
2.096426010131836
],
[
2.0121970176696777
],
[
2.1976518630981445
],
[
2.0733087062835693
],
[
2.1976518630981445
],
[
2.0447192192077637
],
[
2.0643556118011475
],
[
2.09774112701416
],
[
2.1089766025543213
],
[
2.077758550643921
],
[
2.0447192192077637
],
[
2.1740808486938477
],
[
2.0643556118011475
],
[
2.1740808486938477
],
[
2.0876851081848145
],
[
2.096426010131836
],
[
2.077758550643921
]
] |
O=C(COc1ccc2ccccc2c1)c1cc(O)c(O)c([N+](=O)[O-])c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
6,
20,
20,
2,
16,
11
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
6,
2,
20,
11,
16
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
3,
5,
2,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
2,
3,
4,
41,
5,
5,
6,
7,
8,
9,
10,
10,
11,
12,
38,
13,
13,
14,
15,
16,
16,
17,
20,
20,
19,
19,
21,
21,
22,
43,
43,
23,
23,
24,
25,
26,
27,
28,
29,
30,
30,
42,
42,
31,
32,
33,
33,
34,
35,
37,
40,
40,
39,
39
],
[
2,
4,
41,
1,
6,
39,
3,
41,
8,
5,
10,
7,
12,
38,
9,
14,
40,
11,
38,
16,
13,
18,
20,
15,
22,
43,
17,
20,
17,
18,
24,
31,
32,
21,
43,
26,
23,
28,
25,
30,
27,
42,
32,
21,
22,
29,
34,
42,
31,
36,
33,
35,
3,
4,
11,
12
]
] |
[
[
2.1801934242248535
],
[
2.0717954635620117
],
[
2.1362857818603516
],
[
2.1801934242248535
],
[
2.104597568511963
],
[
2.1148486137390137
],
[
2.0717954635620117
],
[
2.073539972305298
],
[
2.095032215118408
],
[
2.104597568511963
],
[
2.1044697761535645
],
[
2.095032215118408
],
[
2.0704541206359863
],
[
2.0735247135162354
],
[
2.1044697761535645
],
[
2.1693224906921387
],
[
2.1148486137390137
],
[
2.0704541206359863
],
[
2.1377933025360107
],
[
2.0863566398620605
],
[
2.1693224906921387
],
[
2.138888359069824
],
[
2.0543060302734375
],
[
2.0863566398620605
],
[
2.042818069458008
],
[
2.1568057537078857
],
[
2.138888359069824
],
[
2.0889604091644287
],
[
2.0543060302734375
],
[
2.0889604091644287
],
[
2.1002657413482666
],
[
2.0965232849121094
],
[
2.147214889526367
],
[
2.042818069458008
],
[
2.0835328102111816
],
[
2.0937814712524414
],
[
2.1002657413482666
],
[
2.0952036380767822
],
[
2.0937814712524414
],
[
2.0957107543945312
],
[
2.0952036380767822
],
[
2.0965232849121094
],
[
2.038909435272217
],
[
2.1568057537078857
],
[
2.0835328102111816
],
[
2.0957107543945312
],
[
1.9299628734588623
],
[
2.147214889526367
],
[
2.038909435272217
],
[
1.884811282157898
],
[
1.9299628734588623
],
[
1.884811282157898
],
[
2.1362857818603516
],
[
2.073539972305298
],
[
2.0735247135162354
],
[
2.1377933025360107
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
8,
9,
9,
10,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
18,
19,
6,
20,
20,
2,
16,
11
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
9,
8,
10,
9,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
19,
18,
20,
6,
2,
20,
11,
16
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
2,
2,
2,
2,
2,
2,
3,
4,
4,
0
] |
[
[
0,
2,
2,
3,
4,
33,
5,
5,
6,
7,
8,
9,
10,
10,
11,
30,
13,
13,
14,
17,
18,
35,
19,
20,
21,
22,
23,
24,
25,
26,
34,
27,
32,
32,
31,
31
],
[
2,
4,
33,
1,
6,
31,
3,
33,
8,
5,
10,
7,
12,
30,
9,
32,
11,
30,
16,
15,
20,
27,
35,
22,
19,
24,
21,
26,
23,
34,
18,
25,
3,
4,
11,
12
]
] |
[
[
2.1801934242248535
],
[
2.0717954635620117
],
[
2.1362857818603516
],
[
2.1801934242248535
],
[
2.104597568511963
],
[
2.1148486137390137
],
[
2.0717954635620117
],
[
2.073539972305298
],
[
2.095032215118408
],
[
2.104597568511963
],
[
2.1044697761535645
],
[
2.095032215118408
],
[
2.0704541206359863
],
[
2.0735247135162354
],
[
2.1044697761535645
],
[
2.1148486137390137
],
[
2.0704541206359863
],
[
2.1377933025360107
],
[
2.138888359069824
],
[
2.138888359069824
],
[
2.1002657413482666
],
[
2.0965232849121094
],
[
2.0835328102111816
],
[
2.0937814712524414
],
[
2.1002657413482666
],
[
2.0952036380767822
],
[
2.0937814712524414
],
[
2.0957107543945312
],
[
2.0952036380767822
],
[
2.0965232849121094
],
[
2.0835328102111816
],
[
2.0957107543945312
],
[
2.1362857818603516
],
[
2.073539972305298
],
[
2.0735247135162354
],
[
2.1377933025360107
]
] |
C=Cc1cccc(C=CC(=O)c2ccccc2OCC)c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
8,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
19,
21,
21,
22,
15,
23,
23,
24,
5,
25,
25,
1,
23,
7,
12,
9,
22,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
8,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
19,
22,
21,
23,
15,
24,
23,
25,
5,
1,
25,
7,
23,
9,
12,
16,
22
]
] |
[
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
51,
3,
3,
4,
5,
6,
7,
8,
8,
9,
10,
48,
11,
11,
12,
12,
13,
14,
14,
53,
53,
15,
15,
16,
16,
24,
17,
17,
18,
55,
19,
19,
20,
21,
22,
54,
54,
23,
25,
25,
26,
27,
28,
28,
29,
30,
30,
44,
44,
31,
31,
32,
57,
33,
33,
34,
35,
36,
36,
37,
40,
39,
39,
41,
41,
42,
56,
56,
43,
52,
52,
45,
45,
47,
47,
50,
50,
49,
49
],
[
2,
51,
4,
49,
1,
51,
6,
3,
8,
5,
10,
48,
7,
12,
50,
9,
48,
14,
53,
11,
16,
24,
45,
46,
13,
53,
18,
55,
26,
15,
24,
20,
23,
17,
55,
22,
19,
54,
17,
18,
21,
15,
16,
28,
25,
30,
44,
27,
32,
57,
52,
46,
29,
44,
34,
43,
31,
57,
36,
33,
38,
40,
35,
42,
37,
40,
37,
38,
56,
31,
32,
41,
13,
14,
29,
30,
52,
45,
1,
2,
9,
10
]
] |
[
[
2.1002540588378906
],
[
2.035627603530884
],
[
2.0266342163085938
],
[
2.0299859046936035
],
[
2.1002540588378906
],
[
2.1467294692993164
],
[
2.15254282951355
],
[
2.0266342163085938
],
[
2.0189085006713867
],
[
2.15254282951355
],
[
2.0887956619262695
],
[
2.191131591796875
],
[
2.0189085006713867
],
[
2.0275330543518066
],
[
2.0299859046936035
],
[
2.0887956619262695
],
[
2.001715660095215
],
[
2.0587005615234375
],
[
2.088634967803955
],
[
2.0275330543518066
],
[
2.1336827278137207
],
[
2.01409912109375
],
[
2.1229515075683594
],
[
2.074812889099121
],
[
2.0587005615234375
],
[
2.1336922645568848
],
[
2.070206880569458
],
[
2.091857671737671
],
[
2.1385316848754883
],
[
2.1336827278137207
],
[
2.135268211364746
],
[
1.5264623165130615
],
[
1.52644944190979
],
[
2.070206880569458
],
[
1.496225357055664
],
[
1.5193639993667603
],
[
1.5264623165130615
],
[
1.52644944190979
],
[
2.091857671737671
],
[
1.496225357055664
],
[
1.5193639993667603
],
[
2.01409912109375
],
[
2.135268211364746
],
[
2.117586374282837
],
[
2.1385316848754883
],
[
2.117823600769043
],
[
2.0389692783355713
],
[
2.117586374282837
],
[
2.156529664993286
],
[
2.156100034713745
],
[
2.1229515075683594
],
[
2.085181951522827
],
[
2.117823600769043
],
[
2.1263680458068848
],
[
2.1767265796661377
],
[
2.1784143447875977
],
[
2.156529664993286
],
[
1.9705272912979126
],
[
2.0322930812835693
],
[
2.1767265796661377
],
[
2.0527303218841553
],
[
2.1766421794891357
],
[
2.0322930812835693
],
[
2.0312938690185547
],
[
2.0527303218841553
],
[
2.0529773235321045
],
[
2.1766421794891357
],
[
2.0529773235321045
],
[
2.1784143447875977
],
[
2.156100034713745
],
[
1.9705272912979126
],
[
2.0312938690185547
],
[
2.088634967803955
],
[
2.1336922645568848
],
[
2.0389692783355713
],
[
2.1263680458068848
],
[
2.074812889099121
],
[
2.085181951522827
],
[
2.035627603530884
],
[
2.1467294692993164
],
[
2.191131591796875
],
[
2.001715660095215
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
7,
8,
9,
10,
10,
11,
11,
12,
8,
13,
13,
14,
14,
15,
16,
17,
17,
18,
18,
19,
19,
20,
19,
21,
21,
22,
15,
23,
23,
24,
5,
25,
25,
1,
23,
7,
12,
9,
22,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
8,
7,
10,
9,
11,
10,
12,
11,
13,
8,
14,
13,
15,
14,
17,
16,
18,
17,
19,
18,
20,
19,
21,
19,
22,
21,
23,
15,
24,
23,
25,
5,
1,
25,
7,
23,
9,
12,
16,
22
]
] |
[
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
1,
2,
2,
3,
3,
3,
3,
2,
2,
2,
4,
4,
4,
4,
4,
4,
4,
2,
2,
0
] |
[
[
0,
0,
2,
43,
3,
3,
4,
5,
6,
7,
8,
9,
40,
10,
45,
45,
11,
18,
12,
47,
13,
14,
15,
16,
46,
17,
19,
20,
21,
22,
23,
36,
36,
24,
49,
25,
26,
27,
28,
28,
29,
32,
31,
31,
33,
33,
34,
48,
35,
44,
37,
39,
39,
42,
42,
41
],
[
2,
43,
4,
41,
1,
43,
6,
3,
8,
5,
40,
7,
42,
18,
37,
38,
45,
20,
14,
17,
47,
16,
13,
46,
12,
15,
11,
22,
19,
36,
21,
44,
38,
26,
35,
49,
28,
25,
30,
32,
27,
34,
29,
32,
29,
30,
48,
24,
33,
10,
23,
44,
37,
1,
2,
9
]
] |
[
[
2.1002540588378906
],
[
2.035627603530884
],
[
2.0266342163085938
],
[
2.0299859046936035
],
[
2.1002540588378906
],
[
2.1467294692993164
],
[
2.15254282951355
],
[
2.0266342163085938
],
[
2.0189085006713867
],
[
2.15254282951355
],
[
2.191131591796875
],
[
2.0189085006713867
],
[
2.0299859046936035
],
[
2.01409912109375
],
[
2.1229515075683594
],
[
2.074812889099121
],
[
2.1336922645568848
],
[
2.1385316848754883
],
[
1.5264623165130615
],
[
1.52644944190979
],
[
1.496225357055664
],
[
1.5193639993667603
],
[
1.5264623165130615
],
[
1.52644944190979
],
[
1.496225357055664
],
[
1.5193639993667603
],
[
2.01409912109375
],
[
2.117586374282837
],
[
2.1385316848754883
],
[
2.0389692783355713
],
[
2.117586374282837
],
[
2.1229515075683594
],
[
2.085181951522827
],
[
2.1767265796661377
],
[
2.1784143447875977
],
[
1.9705272912979126
],
[
2.0322930812835693
],
[
2.1767265796661377
],
[
2.0527303218841553
],
[
2.1766421794891357
],
[
2.0322930812835693
],
[
2.0312938690185547
],
[
2.0527303218841553
],
[
2.0529773235321045
],
[
2.1766421794891357
],
[
2.0529773235321045
],
[
2.1784143447875977
],
[
1.9705272912979126
],
[
2.0312938690185547
],
[
2.1336922645568848
],
[
2.0389692783355713
],
[
2.074812889099121
],
[
2.085181951522827
],
[
2.035627603530884
],
[
2.1467294692993164
],
[
2.191131591796875
]
] |
Nc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)n1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
1,
10,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
9,
4,
21,
12,
19,
14
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
1,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
4,
9,
12,
21,
14,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
]
] |
[
[
0,
0,
2,
18,
18,
3,
3,
4,
5,
6,
6,
7,
8,
45,
9,
9,
10,
11,
12,
13,
14,
15,
16,
44,
44,
17,
19,
19,
22,
22,
21,
21,
23,
23,
24,
47,
47,
25,
25,
26,
26,
27,
28,
49,
49,
29,
29,
30,
31,
32,
33,
34,
35,
36,
36,
48,
48,
37,
38,
39,
39,
40,
40,
46,
46,
41,
43,
43
],
[
2,
18,
4,
20,
22,
1,
18,
6,
3,
8,
45,
5,
10,
17,
7,
45,
12,
9,
14,
11,
16,
13,
44,
7,
8,
15,
1,
2,
24,
47,
19,
22,
19,
20,
26,
41,
42,
23,
47,
28,
49,
25,
30,
37,
38,
27,
49,
32,
29,
34,
31,
36,
33,
48,
38,
27,
28,
35,
40,
48,
37,
46,
42,
23,
24,
39,
46,
41
]
] |
[
[
2.0318965911865234
],
[
2.159700632095337
],
[
1.9636348485946655
],
[
2.1081204414367676
],
[
2.0672736167907715
],
[
2.0318965911865234
],
[
2.049271821975708
],
[
1.9336543083190918
],
[
1.9636348485946655
],
[
2.1018059253692627
],
[
2.041836738586426
],
[
1.9336543083190918
],
[
2.073958396911621
],
[
2.046351432800293
],
[
2.1018059253692627
],
[
2.139145612716675
],
[
2.082834482192993
],
[
2.073958396911621
],
[
2.0620083808898926
],
[
2.082834482192993
],
[
2.1619482040405273
],
[
2.0620083808898926
],
[
2.046351432800293
],
[
2.041836738586426
],
[
2.139145612716675
],
[
2.1619482040405273
],
[
2.159700632095337
],
[
2.049271821975708
],
[
1.9330170154571533
],
[
1.9416600465774536
],
[
2.1081204414367676
],
[
2.107759475708008
],
[
2.0672736167907715
],
[
2.107759475708008
],
[
1.9618393182754517
],
[
1.9019190073013306
],
[
1.9792497158050537
],
[
1.9330170154571533
],
[
1.9695639610290527
],
[
2.0922985076904297
],
[
2.0983924865722656
],
[
1.9618393182754517
],
[
2.1004016399383545
],
[
2.0805435180664062
],
[
2.114067792892456
],
[
2.0922985076904297
],
[
2.091306209564209
],
[
2.094634532928467
],
[
2.1004016399383545
],
[
2.0950217247009277
],
[
2.094634532928467
],
[
2.1040878295898438
],
[
2.0950217247009277
],
[
2.0805435180664062
],
[
2.0871968269348145
],
[
2.0983924865722656
],
[
2.091306209564209
],
[
2.1040878295898438
],
[
2.012413740158081
],
[
2.114067792892456
],
[
2.0871968269348145
],
[
1.9019190073013306
],
[
1.941622257232666
],
[
1.9416600465774536
],
[
1.9695639610290527
],
[
2.012413740158081
],
[
1.9792497158050537
],
[
1.941622257232666
]
] |
[
[
0,
1,
2,
3,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
10,
11,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
9,
4,
21,
12,
19,
14
],
[
1,
0,
3,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
11,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
4,
9,
12,
21,
14,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
2,
2,
2,
2,
2,
2,
3,
3,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4
] |
[
[
4,
37,
5,
6,
7,
8,
9,
10,
11,
12,
36,
13,
16,
39,
39,
17,
18,
18,
19,
20,
41,
41,
21,
21,
22,
23,
24,
25,
26,
27,
28,
28,
40,
40,
29,
30,
31,
31,
32,
32,
38,
33,
35,
35
],
[
6,
13,
37,
8,
5,
10,
7,
12,
9,
36,
4,
11,
18,
33,
34,
39,
20,
41,
17,
22,
29,
30,
19,
41,
24,
21,
26,
23,
28,
25,
40,
30,
19,
20,
27,
32,
40,
29,
38,
34,
16,
31,
38,
33
]
] |
[
[
2.073958396911621
],
[
2.046351432800293
],
[
2.139145612716675
],
[
2.082834482192993
],
[
2.073958396911621
],
[
2.0620083808898926
],
[
2.082834482192993
],
[
2.1619482040405273
],
[
2.0620083808898926
],
[
2.046351432800293
],
[
2.139145612716675
],
[
2.1619482040405273
],
[
1.9618393182754517
],
[
1.9019190073013306
],
[
1.9792497158050537
],
[
1.9695639610290527
],
[
2.0922985076904297
],
[
2.0983924865722656
],
[
1.9618393182754517
],
[
2.1004016399383545
],
[
2.0805435180664062
],
[
2.114067792892456
],
[
2.0922985076904297
],
[
2.091306209564209
],
[
2.094634532928467
],
[
2.1004016399383545
],
[
2.0950217247009277
],
[
2.094634532928467
],
[
2.1040878295898438
],
[
2.0950217247009277
],
[
2.0805435180664062
],
[
2.0871968269348145
],
[
2.0983924865722656
],
[
2.091306209564209
],
[
2.1040878295898438
],
[
2.012413740158081
],
[
2.114067792892456
],
[
2.0871968269348145
],
[
1.9019190073013306
],
[
1.941622257232666
],
[
1.9695639610290527
],
[
2.012413740158081
],
[
1.9792497158050537
],
[
1.941622257232666
]
] |
CN(CCc1ccccn1)C(=O)C1Cc2ccccc2CN1C
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
2,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
12,
16,
16,
17,
8,
4,
17,
9
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
2,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
12,
17,
16,
4,
8,
9,
17
]
] |
[
[
2,
0,
1
],
[
2,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
6,
0,
1,
5,
0,
0,
0,
0,
0
],
[
5,
0,
2,
5,
0,
0,
0,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
6,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
4,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
2,
3,
4,
16,
16,
5,
5,
6,
6,
7,
8,
35,
9,
9,
10,
11,
12,
13,
14,
34,
34,
15,
17,
17,
18,
37,
19,
19,
20,
21,
22,
22,
23,
24,
24,
30,
25,
25,
27,
27,
29,
29,
31,
31,
32,
36,
36,
33
],
[
2,
4,
16,
1,
6,
18,
37,
3,
16,
8,
35,
5,
10,
15,
7,
35,
12,
9,
14,
11,
34,
7,
8,
13,
3,
4,
20,
33,
17,
37,
22,
19,
24,
30,
21,
26,
28,
32,
23,
30,
25,
28,
25,
26,
23,
24,
36,
17,
18,
31
]
] |
[
[
3.1065502166748047
],
[
2.1754870414733887
],
[
2.0531275272369385
],
[
3.1065502166748047
],
[
2.1921792030334473
],
[
2.1043448448181152
],
[
2.098815441131592
],
[
2.1754870414733887
],
[
2.053971767425537
],
[
2.377880573272705
],
[
2.0465712547302246
],
[
2.1921792030334473
],
[
1.8882899284362793
],
[
1.9237430095672607
],
[
2.377880573272705
],
[
1.8585844039916992
],
[
1.871480107307434
],
[
1.8882899284362793
],
[
1.882591724395752
],
[
1.871480107307434
],
[
1.9237430095672607
],
[
2.0465712547302246
],
[
1.8585844039916992
],
[
1.882591724395752
],
[
2.0531275272369385
],
[
2.053971767425537
],
[
2.104903221130371
],
[
2.104804515838623
],
[
2.1043448448181152
],
[
2.0799784660339355
],
[
2.086732864379883
],
[
2.104903221130371
],
[
2.0899150371551514
],
[
2.102884292602539
],
[
2.086732864379883
],
[
2.0536491870880127
],
[
2.054368019104004
],
[
2.087008237838745
],
[
2.0899150371551514
],
[
2.0903611183166504
],
[
2.0536491870880127
],
[
2.175128936767578
],
[
2.054368019104004
],
[
2.175128936767578
],
[
2.102884292602539
],
[
2.0903611183166504
],
[
2.104804515838623
],
[
2.098815441131592
],
[
2.0799784660339355
],
[
2.087008237838745
]
] |
[
[
0,
1,
1,
2,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
2,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
12,
16,
16,
17,
8,
4,
17,
9
],
[
1,
0,
2,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
2,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
12,
17,
16,
4,
8,
9,
17
]
] |
[
[
2,
0,
1
],
[
2,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
1,
1,
1,
1,
1,
1,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
2,
3,
14,
14,
4,
4,
6,
33,
7,
7,
8,
9,
10,
11,
12,
32,
32,
13,
15,
16,
35,
17,
17,
18,
19,
20,
20,
21,
22,
22,
28,
23,
23,
25,
25,
27,
27,
29,
29,
30,
34,
34,
31
],
[
2,
14,
1,
16,
35,
6,
33,
8,
13,
5,
33,
10,
7,
12,
9,
32,
5,
6,
11,
3,
18,
31,
15,
35,
20,
17,
22,
28,
19,
24,
26,
30,
21,
28,
23,
26,
23,
24,
21,
22,
34,
15,
16,
29
]
] |
[
[
3.1065502166748047
],
[
2.0531275272369385
],
[
3.1065502166748047
],
[
2.1043448448181152
],
[
2.098815441131592
],
[
2.377880573272705
],
[
2.0465712547302246
],
[
1.8882899284362793
],
[
1.9237430095672607
],
[
2.377880573272705
],
[
1.8585844039916992
],
[
1.871480107307434
],
[
1.8882899284362793
],
[
1.882591724395752
],
[
1.871480107307434
],
[
1.9237430095672607
],
[
2.0465712547302246
],
[
1.8585844039916992
],
[
1.882591724395752
],
[
2.0531275272369385
],
[
2.104903221130371
],
[
2.104804515838623
],
[
2.1043448448181152
],
[
2.0799784660339355
],
[
2.086732864379883
],
[
2.104903221130371
],
[
2.0899150371551514
],
[
2.102884292602539
],
[
2.086732864379883
],
[
2.0536491870880127
],
[
2.054368019104004
],
[
2.087008237838745
],
[
2.0899150371551514
],
[
2.0903611183166504
],
[
2.0536491870880127
],
[
2.175128936767578
],
[
2.054368019104004
],
[
2.175128936767578
],
[
2.102884292602539
],
[
2.0903611183166504
],
[
2.104804515838623
],
[
2.098815441131592
],
[
2.0799784660339355
],
[
2.087008237838745
]
] |
N#CC(=Cc1ccc[nH]1)c1ccc([N+](=O)[O-])cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
3,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
12,
16,
16,
17,
16,
18,
18,
19,
19,
20,
20,
21,
19,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
29,
31,
31,
32,
31,
33,
24,
34,
34,
35,
34,
36,
36,
37,
36,
38,
15,
1,
34,
18,
15,
9,
38,
22,
20,
11,
33,
26
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
8,
3,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
12,
17,
16,
18,
16,
19,
18,
20,
19,
21,
20,
22,
19,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
29,
32,
31,
33,
31,
34,
24,
35,
34,
36,
34,
37,
36,
38,
36,
1,
15,
18,
34,
9,
15,
22,
38,
11,
20,
26,
33
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
77,
77,
3,
3,
4,
4,
5,
6,
14,
7,
7,
8,
8,
9,
11,
11,
13,
13,
15,
15,
16,
16,
17,
18,
81,
81,
19,
19,
20,
20,
21,
22,
22,
85,
85,
23,
23,
24,
24,
30,
30,
25,
25,
28,
28,
27,
27,
76,
76,
80,
80,
29,
29,
31,
31,
34,
34,
33,
33,
35,
35,
36,
36,
79,
79,
79,
37,
37,
38,
38,
42,
42,
84,
84,
39,
39,
41,
41,
43,
43,
44,
83,
45,
45,
46,
46,
47,
48,
66,
66,
66,
49,
49,
50,
50,
51,
52,
87,
53,
53,
54,
55,
56,
56,
57,
60,
60,
59,
59,
61,
61,
64,
63,
63,
86,
86,
65,
65,
78,
78,
67,
67,
70,
70,
69,
69,
69,
71,
71,
71,
74,
73,
73,
82,
82,
75,
75
],
[
2,
77,
4,
80,
29,
1,
77,
6,
14,
3,
8,
16,
5,
14,
10,
12,
7,
9,
12,
9,
10,
5,
6,
18,
81,
15,
20,
76,
29,
17,
81,
22,
85,
19,
24,
30,
39,
40,
21,
85,
26,
28,
32,
34,
23,
30,
76,
80,
25,
28,
1,
2,
17,
18,
25,
26,
23,
24,
36,
79,
31,
34,
31,
32,
38,
42,
67,
68,
70,
35,
79,
84,
40,
44,
83,
21,
22,
37,
42,
84,
39,
37,
38,
46,
75,
43,
83,
48,
66,
45,
50,
78,
68,
70,
47,
66,
52,
87,
49,
54,
65,
51,
87,
56,
53,
58,
60,
55,
62,
64,
57,
60,
57,
58,
86,
61,
64,
51,
52,
61,
62,
35,
36,
47,
48,
72,
74,
78,
67,
70,
78,
67,
68,
82,
71,
74,
43,
44,
71,
72
]
] |
[
[
1.9065265655517578
],
[
1.9735147953033447
],
[
1.9886620044708252
],
[
2.0973105430603027
],
[
2.1125741004943848
],
[
1.9065265655517578
],
[
1.9731037616729736
],
[
1.8837809562683105
],
[
1.8931138515472412
],
[
1.9886620044708252
],
[
1.9343338012695312
],
[
1.9454457759857178
],
[
1.8837809562683105
],
[
1.9232454299926758
],
[
2.2187647819519043
],
[
1.9656574726104736
],
[
1.9343338012695312
],
[
2.2187647819519043
],
[
2.0969738960266113
],
[
1.9656574726104736
],
[
2.0969738960266113
],
[
1.8931138515472412
],
[
1.9232454299926758
],
[
2.0878820419311523
],
[
2.0962178707122803
],
[
1.9454457759857178
],
[
2.1023452281951904
],
[
2.0973105430603027
],
[
2.0732762813568115
],
[
2.0878820419311523
],
[
2.0971314907073975
],
[
2.0968546867370605
],
[
2.0739574432373047
],
[
2.1023452281951904
],
[
2.08329176902771
],
[
2.095309019088745
],
[
2.03930926322937
],
[
2.12368106842041
],
[
2.0968546867370605
],
[
2.1122450828552246
],
[
2.12459135055542
],
[
2.113173484802246
],
[
2.0908823013305664
],
[
2.054112434387207
],
[
2.08329176902771
],
[
2.104490280151367
],
[
2.1125741004943848
],
[
2.0732762813568115
],
[
2.12459135055542
],
[
2.0453593730926514
],
[
1.9735147953033447
],
[
1.9731037616729736
],
[
2.0962178707122803
],
[
2.0971314907073975
],
[
2.113173484802246
],
[
2.0453593730926514
],
[
2.095309019088745
],
[
2.104490280151367
],
[
2.1193346977233887
],
[
2.1914749145507812
],
[
2.0908823013305664
],
[
2.1381242275238037
],
[
2.054112434387207
],
[
2.1381242275238037
],
[
2.1415457725524902
],
[
2.008845806121826
],
[
1.854064702987671
],
[
2.0049266815185547
],
[
1.8674025535583496
],
[
2.1193346977233887
],
[
1.9705392122268677
],
[
2.03930926322937
],
[
2.120151996612549
],
[
1.9129797220230103
],
[
1.8763607740402222
],
[
2.0739574432373047
],
[
2.1122450828552246
],
[
2.1415457725524902
],
[
2.1317458152770996
],
[
2.12368106842041
],
[
2.120151996612549
],
[
2.008845806121826
],
[
2.1317458152770996
],
[
1.9097331762313843
],
[
1.9574182033538818
],
[
1.9129797220230103
],
[
1.8613311052322388
],
[
1.8512651920318604
],
[
1.894520878791809
],
[
1.9097331762313843
],
[
2.006425380706787
],
[
1.854064702987671
],
[
1.9721684455871582
],
[
1.84913969039917
],
[
1.8512651920318604
],
[
1.9616806507110596
],
[
1.8606314659118652
],
[
1.9189112186431885
],
[
2.006425380706787
],
[
1.9463729858398438
],
[
2.001556873321533
],
[
1.8606314659118652
],
[
1.9252620935440063
],
[
1.9292654991149902
],
[
1.9463729858398438
],
[
1.924541711807251
],
[
1.9482656717300415
],
[
1.9292654991149902
],
[
1.9952800273895264
],
[
1.9407544136047363
],
[
1.924541711807251
],
[
1.9591156244277954
],
[
1.9482656717300415
],
[
1.9591156244277954
],
[
2.001556873321533
],
[
1.9952800273895264
],
[
1.9359965324401855
],
[
1.9189112186431885
],
[
1.9252620935440063
],
[
1.9407544136047363
],
[
1.9359965324401855
],
[
2.1914749145507812
],
[
1.9705392122268677
],
[
1.894520878791809
],
[
1.9616806507110596
],
[
1.9932019710540771
],
[
1.9431915283203125
],
[
2.0049266815185547
],
[
1.9721684455871582
],
[
1.9069819450378418
],
[
1.8674025535583496
],
[
1.84913969039917
],
[
1.9069819450378418
],
[
1.9574182033538818
],
[
1.9932019710540771
],
[
1.8800251483917236
],
[
1.8763607740402222
],
[
1.8613311052322388
],
[
1.9431915283203125
],
[
1.8800251483917236
]
] |
[
[
0,
1,
1,
2,
2,
3,
4,
5,
5,
6,
5,
7,
3,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
12,
16,
16,
17,
16,
18,
18,
19,
19,
20,
20,
21,
19,
22,
22,
23,
23,
24,
26,
27,
27,
28,
28,
29,
29,
30,
29,
31,
31,
32,
31,
33,
24,
34,
34,
35,
34,
36,
36,
37,
36,
38,
15,
1,
34,
18,
15,
9,
38,
22,
20,
11,
33,
26
],
[
1,
0,
2,
1,
3,
2,
5,
4,
6,
5,
7,
5,
8,
3,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
12,
17,
16,
18,
16,
19,
18,
20,
19,
21,
20,
22,
19,
23,
22,
24,
23,
27,
26,
28,
27,
29,
28,
30,
29,
31,
29,
32,
31,
33,
31,
34,
24,
35,
34,
36,
34,
37,
36,
38,
36,
1,
15,
18,
34,
9,
15,
22,
38,
11,
20,
26,
33
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
1,
1,
1,
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
2,
3,
3,
3,
3,
3,
3,
3,
3,
0,
0,
0,
0,
0
] |
[
[
0,
0,
2,
71,
71,
3,
3,
4,
5,
12,
6,
6,
9,
9,
11,
11,
13,
14,
14,
15,
16,
75,
75,
17,
17,
18,
18,
19,
20,
20,
79,
79,
21,
21,
22,
22,
28,
28,
23,
23,
26,
26,
25,
25,
70,
70,
74,
74,
27,
27,
29,
29,
32,
32,
31,
31,
33,
33,
34,
34,
73,
73,
73,
35,
35,
36,
36,
40,
40,
78,
78,
37,
37,
39,
39,
41,
41,
42,
77,
43,
43,
44,
45,
60,
60,
60,
46,
81,
47,
48,
49,
50,
50,
51,
54,
54,
53,
53,
55,
55,
58,
57,
57,
80,
59,
59,
72,
72,
61,
64,
64,
63,
63,
63,
65,
65,
65,
68,
67,
67,
76,
76,
69,
69
],
[
2,
71,
4,
74,
27,
1,
71,
12,
3,
14,
8,
10,
7,
10,
7,
8,
5,
16,
75,
13,
18,
70,
27,
15,
75,
20,
79,
17,
22,
28,
37,
38,
19,
79,
24,
26,
30,
32,
21,
28,
70,
74,
23,
26,
1,
2,
15,
16,
23,
24,
21,
22,
34,
73,
29,
32,
29,
30,
36,
40,
61,
62,
64,
33,
73,
78,
38,
42,
77,
19,
20,
35,
40,
78,
37,
35,
36,
44,
69,
41,
77,
60,
43,
72,
62,
64,
48,
59,
81,
50,
47,
52,
54,
49,
56,
58,
51,
54,
51,
52,
80,
55,
58,
46,
55,
56,
33,
34,
45,
66,
68,
72,
61,
64,
72,
61,
62,
76,
65,
68,
41,
42,
65,
66
]
] |
[
[
1.9065265655517578
],
[
1.9735147953033447
],
[
1.9886620044708252
],
[
2.0973105430603027
],
[
2.1125741004943848
],
[
1.9065265655517578
],
[
1.9731037616729736
],
[
1.8931138515472412
],
[
1.9886620044708252
],
[
1.9454457759857178
],
[
2.2187647819519043
],
[
1.9656574726104736
],
[
2.2187647819519043
],
[
2.0969738960266113
],
[
1.9656574726104736
],
[
2.0969738960266113
],
[
1.8931138515472412
],
[
2.0878820419311523
],
[
2.0962178707122803
],
[
1.9454457759857178
],
[
2.1023452281951904
],
[
2.0973105430603027
],
[
2.0732762813568115
],
[
2.0878820419311523
],
[
2.0971314907073975
],
[
2.0968546867370605
],
[
2.0739574432373047
],
[
2.1023452281951904
],
[
2.08329176902771
],
[
2.095309019088745
],
[
2.03930926322937
],
[
2.12368106842041
],
[
2.0968546867370605
],
[
2.1122450828552246
],
[
2.12459135055542
],
[
2.113173484802246
],
[
2.0908823013305664
],
[
2.054112434387207
],
[
2.08329176902771
],
[
2.104490280151367
],
[
2.1125741004943848
],
[
2.0732762813568115
],
[
2.12459135055542
],
[
2.0453593730926514
],
[
1.9735147953033447
],
[
1.9731037616729736
],
[
2.0962178707122803
],
[
2.0971314907073975
],
[
2.113173484802246
],
[
2.0453593730926514
],
[
2.095309019088745
],
[
2.104490280151367
],
[
2.1193346977233887
],
[
2.1914749145507812
],
[
2.0908823013305664
],
[
2.1381242275238037
],
[
2.054112434387207
],
[
2.1381242275238037
],
[
2.1415457725524902
],
[
2.008845806121826
],
[
1.854064702987671
],
[
2.0049266815185547
],
[
1.8674025535583496
],
[
2.1193346977233887
],
[
1.9705392122268677
],
[
2.03930926322937
],
[
2.120151996612549
],
[
1.9129797220230103
],
[
1.8763607740402222
],
[
2.0739574432373047
],
[
2.1122450828552246
],
[
2.1415457725524902
],
[
2.1317458152770996
],
[
2.12368106842041
],
[
2.120151996612549
],
[
2.008845806121826
],
[
2.1317458152770996
],
[
1.9097331762313843
],
[
1.9574182033538818
],
[
1.9129797220230103
],
[
1.8613311052322388
],
[
1.894520878791809
],
[
1.9097331762313843
],
[
1.854064702987671
],
[
1.9721684455871582
],
[
1.84913969039917
],
[
1.9463729858398438
],
[
2.001556873321533
],
[
1.9252620935440063
],
[
1.9292654991149902
],
[
1.9463729858398438
],
[
1.924541711807251
],
[
1.9482656717300415
],
[
1.9292654991149902
],
[
1.9952800273895264
],
[
1.9407544136047363
],
[
1.924541711807251
],
[
1.9591156244277954
],
[
1.9482656717300415
],
[
1.9591156244277954
],
[
2.001556873321533
],
[
1.9952800273895264
],
[
1.9359965324401855
],
[
1.9252620935440063
],
[
1.9407544136047363
],
[
1.9359965324401855
],
[
2.1914749145507812
],
[
1.9705392122268677
],
[
1.894520878791809
],
[
1.9932019710540771
],
[
1.9431915283203125
],
[
2.0049266815185547
],
[
1.9721684455871582
],
[
1.9069819450378418
],
[
1.8674025535583496
],
[
1.84913969039917
],
[
1.9069819450378418
],
[
1.9574182033538818
],
[
1.9932019710540771
],
[
1.8800251483917236
],
[
1.8763607740402222
],
[
1.8613311052322388
],
[
1.9431915283203125
],
[
1.8800251483917236
]
] |
CC1OC(CC(=O)O)Cc2cc3c(c(O)c21)C(=O)C1=C(C3=O)C2CC(OC3CCC(O)C(C)O3)C1(O)C(C)O2
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
18,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
26,
28,
24,
29,
29,
30,
15,
31,
31,
32,
9,
33,
33,
5,
32,
12,
30,
21
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
18,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
26,
29,
24,
30,
29,
31,
15,
32,
31,
33,
9,
5,
33,
12,
32,
21,
30
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
2,
0,
0
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
2,
3,
4,
4,
5,
8,
8,
7,
7,
9,
9,
10,
67,
11,
11,
12,
13,
14,
15,
16,
16,
17,
18,
18,
64,
19,
19,
22,
22,
21,
21,
23,
23,
24,
69,
25,
25,
26,
27,
28,
28,
29,
30,
60,
31,
31,
32,
33,
34,
34,
34,
35,
40,
40,
37,
37,
37,
39,
39,
39,
41,
41,
41,
42,
71,
43,
43,
44,
45,
46,
46,
47,
48,
56,
49,
49,
50,
50,
51,
53,
53,
55,
55,
57,
57,
58,
70,
70,
59,
61,
61,
62,
68,
68,
63,
66,
66,
65,
65
],
[
2,
4,
1,
6,
8,
3,
10,
67,
5,
8,
5,
6,
12,
65,
9,
67,
14,
11,
16,
13,
18,
64,
15,
20,
22,
66,
17,
64,
24,
69,
19,
22,
19,
20,
26,
63,
23,
69,
28,
25,
30,
60,
27,
32,
62,
29,
60,
34,
31,
36,
38,
40,
33,
42,
71,
35,
38,
40,
35,
36,
40,
35,
36,
38,
44,
59,
41,
71,
46,
43,
48,
56,
45,
50,
58,
47,
56,
52,
54,
49,
51,
54,
51,
52,
47,
48,
70,
41,
42,
57,
29,
30,
68,
23,
24,
61,
9,
10,
17,
18
]
] |
[
[
1.921560287475586
],
[
2.0220866203308105
],
[
1.921560287475586
],
[
2.1830508708953857
],
[
1.9185560941696167
],
[
2.0220866203308105
],
[
1.9496634006500244
],
[
1.8776936531066895
],
[
2.1830508708953857
],
[
2.1814255714416504
],
[
1.9185560941696167
],
[
2.1814255714416504
],
[
1.9422930479049683
],
[
1.9661517143249512
],
[
1.9496634006500244
],
[
1.9755662679672241
],
[
1.9277817010879517
],
[
1.9422930479049683
],
[
1.9794862270355225
],
[
1.9277817010879517
],
[
2.1452102661132812
],
[
2.0313029289245605
],
[
1.9794862270355225
],
[
2.12412166595459
],
[
2.0544495582580566
],
[
1.9661517143249512
],
[
2.1452102661132812
],
[
2.0586724281311035
],
[
1.919606328010559
],
[
1.933287262916565
],
[
2.12412166595459
],
[
2.103394031524658
],
[
2.0544495582580566
],
[
2.103394031524658
],
[
1.9463738203048706
],
[
1.9431034326553345
],
[
1.919606328010559
],
[
1.918997049331665
],
[
1.9497991800308228
],
[
1.9463738203048706
],
[
1.9604897499084473
],
[
1.9386889934539795
],
[
1.9497991800308228
],
[
1.9437928199768066
],
[
1.9446393251419067
],
[
1.9604897499084473
],
[
1.9603193998336792
],
[
2.079514980316162
],
[
1.9437928199768066
],
[
1.88914155960083
],
[
1.857804298400879
],
[
1.7821117639541626
],
[
2.079514980316162
],
[
2.097017526626587
],
[
2.08286714553833
],
[
1.88914155960083
],
[
2.1309709548950195
],
[
1.890293002128601
],
[
1.857804298400879
],
[
2.1309709548950195
],
[
1.8824386596679688
],
[
1.7821117639541626
],
[
1.890293002128601
],
[
1.8824386596679688
],
[
2.0829837322235107
],
[
2.089156150817871
],
[
2.097017526626587
],
[
2.1032679080963135
],
[
2.109971523284912
],
[
2.0829837322235107
],
[
2.0441043376922607
],
[
2.0754480361938477
],
[
2.109971523284912
],
[
2.2251436710357666
],
[
2.1051101684570312
],
[
2.0441043376922607
],
[
2.163604736328125
],
[
1.9720826148986816
],
[
2.2107415199279785
],
[
2.2251436710357666
],
[
1.9720826148986816
],
[
2.1003291606903076
],
[
2.2107415199279785
],
[
2.1003291606903076
],
[
2.0754480361938477
],
[
2.163604736328125
],
[
2.089156150817871
],
[
2.08286714553833
],
[
2.1032679080963135
],
[
2.1051101684570312
],
[
1.9386889934539795
],
[
1.9603193998336792
],
[
1.9431034326553345
],
[
1.933287262916565
],
[
1.918997049331665
],
[
1.9446393251419067
],
[
1.8776936531066895
],
[
1.9755662679672241
],
[
2.0313029289245605
],
[
2.0586724281311035
]
] |
[
[
0,
1,
3,
4,
5,
6,
6,
7,
7,
8,
8,
9,
10,
11,
12,
13,
13,
14,
14,
15,
18,
19,
18,
20,
18,
21,
21,
22,
22,
23,
23,
24,
26,
27,
26,
28,
24,
29,
29,
30,
15,
31,
31,
32,
9,
33,
33,
5,
32,
12,
30,
21
],
[
1,
0,
4,
3,
6,
5,
7,
6,
8,
7,
9,
8,
11,
10,
13,
12,
14,
13,
15,
14,
19,
18,
20,
18,
21,
18,
22,
21,
23,
22,
24,
23,
27,
26,
28,
26,
29,
24,
30,
29,
31,
15,
32,
31,
33,
9,
5,
33,
12,
32,
21,
30
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
3,
3,
3,
3,
3,
4,
4,
5,
5,
5,
5,
6,
7,
8,
8,
8,
8,
8,
8,
8,
9,
10,
10,
10,
8,
8,
5,
5,
3
] |
[
[
4,
47,
5,
6,
7,
8,
9,
10,
11,
44,
14,
49,
15,
16,
17,
18,
19,
40,
24,
24,
21,
21,
23,
23,
25,
25,
26,
51,
27,
27,
28,
29,
30,
31,
36,
33,
35,
37,
38,
50,
50,
39,
41,
42,
48,
43,
46,
45
],
[
6,
45,
47,
8,
5,
10,
7,
44,
9,
46,
16,
43,
49,
18,
15,
40,
17,
42,
26,
51,
22,
24,
20,
24,
20,
22,
28,
39,
25,
51,
30,
27,
36,
29,
38,
34,
32,
31,
50,
25,
26,
37,
19,
48,
14,
41,
4,
11
]
] |
[
[
1.9422930479049683
],
[
1.9661517143249512
],
[
1.9755662679672241
],
[
1.9277817010879517
],
[
1.9422930479049683
],
[
1.9794862270355225
],
[
1.9277817010879517
],
[
2.0313029289245605
],
[
1.9794862270355225
],
[
1.9661517143249512
],
[
1.9463738203048706
],
[
1.9431034326553345
],
[
1.918997049331665
],
[
1.9497991800308228
],
[
1.9463738203048706
],
[
1.9386889934539795
],
[
1.9497991800308228
],
[
1.9446393251419067
],
[
2.097017526626587
],
[
2.08286714553833
],
[
2.1309709548950195
],
[
1.890293002128601
],
[
2.1309709548950195
],
[
1.8824386596679688
],
[
1.890293002128601
],
[
1.8824386596679688
],
[
2.0829837322235107
],
[
2.089156150817871
],
[
2.097017526626587
],
[
2.1032679080963135
],
[
2.109971523284912
],
[
2.0829837322235107
],
[
2.0754480361938477
],
[
2.109971523284912
],
[
2.1051101684570312
],
[
2.1003291606903076
],
[
2.1003291606903076
],
[
2.0754480361938477
],
[
2.089156150817871
],
[
2.08286714553833
],
[
2.1032679080963135
],
[
2.1051101684570312
],
[
1.9386889934539795
],
[
1.9431034326553345
],
[
1.918997049331665
],
[
1.9446393251419067
],
[
1.9755662679672241
],
[
2.0313029289245605
]
] |
CCOC(=O)C1CCCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)C1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
14,
16,
16,
17,
16,
18,
18,
19,
18,
20,
20,
21,
21,
22,
21,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
31,
32,
32,
33,
20,
34,
34,
35,
34,
13
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
14,
17,
16,
18,
16,
19,
18,
20,
18,
21,
20,
22,
21,
23,
21,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
31,
33,
32,
34,
20,
35,
34,
13,
34
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
]
] |
[
[
0,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
17,
18,
19,
20,
20,
21,
24,
24,
23,
23,
25,
25,
26,
26,
71,
71,
27,
27,
30,
30,
29,
29,
31,
31,
34,
34,
33,
33,
35,
35,
38,
38,
37,
37,
39,
39,
40,
40,
66,
66,
41,
41,
44,
43,
43,
45,
45,
46,
47,
48,
49,
50,
51,
52,
53,
54,
55,
56,
57,
58,
59,
60,
61,
62,
63,
65,
70,
70,
67,
67,
69,
69
],
[
2,
4,
1,
6,
3,
8,
5,
10,
7,
12,
9,
14,
11,
16,
13,
18,
15,
20,
17,
22,
24,
19,
26,
71,
21,
24,
21,
22,
28,
30,
67,
68,
25,
71,
32,
34,
27,
30,
27,
28,
36,
38,
31,
34,
31,
32,
40,
66,
35,
38,
35,
36,
42,
44,
70,
68,
39,
66,
46,
41,
44,
41,
42,
48,
45,
50,
47,
52,
49,
54,
51,
56,
53,
58,
55,
60,
57,
62,
59,
64,
61,
63,
25,
26,
39,
40,
70,
67
]
] |
[
[
1.944706916809082
],
[
1.9410309791564941
],
[
1.944706916809082
],
[
1.9808329343795776
],
[
1.9410309791564941
],
[
2.0243921279907227
],
[
1.9808329343795776
],
[
1.9813792705535889
],
[
2.0243921279907227
],
[
1.979572057723999
],
[
1.9813792705535889
],
[
2.024193525314331
],
[
1.979572057723999
],
[
1.982374668121338
],
[
2.024193525314331
],
[
1.936164379119873
],
[
1.982374668121338
],
[
1.9528453350067139
],
[
1.936164379119873
],
[
2.129207134246826
],
[
2.1038198471069336
],
[
1.9528453350067139
],
[
2.1423137187957764
],
[
2.0618181228637695
],
[
2.129207134246826
],
[
2.0496253967285156
],
[
2.1038198471069336
],
[
2.0496253967285156
],
[
2.0737435817718506
],
[
2.1154050827026367
],
[
2.100389003753662
],
[
2.1190667152404785
],
[
2.1423137187957764
],
[
2.079028606414795
],
[
2.1203064918518066
],
[
2.0632174015045166
],
[
2.0737435817718506
],
[
2.0938801765441895
],
[
2.1154050827026367
],
[
2.0938801765441895
],
[
2.0527567863464355
],
[
2.119213581085205
],
[
2.1203064918518066
],
[
2.0995819568634033
],
[
2.0632174015045166
],
[
2.0995819568634033
],
[
2.056013584136963
],
[
2.085275888442993
],
[
2.0527567863464355
],
[
2.1111536026000977
],
[
2.119213581085205
],
[
2.1111536026000977
],
[
2.0444109439849854
],
[
2.1006431579589844
],
[
2.100389003753662
],
[
2.0629591941833496
],
[
2.056013584136963
],
[
2.1417973041534424
],
[
1.9484268426895142
],
[
2.0444109439849854
],
[
2.1295719146728516
],
[
2.1006431579589844
],
[
2.1295719146728516
],
[
2.027355432510376
],
[
1.9484268426895142
],
[
1.9998127222061157
],
[
2.027355432510376
],
[
2.020228862762451
],
[
1.9998127222061157
],
[
2.0249834060668945
],
[
2.020228862762451
],
[
2.0203857421875
],
[
2.0249834060668945
],
[
2.016918659210205
],
[
2.0203857421875
],
[
2.019059419631958
],
[
2.016918659210205
],
[
1.9781675338745117
],
[
2.019059419631958
],
[
1.9450411796569824
],
[
1.9781675338745117
],
[
1.9450411796569824
],
[
2.0618181228637695
],
[
2.079028606414795
],
[
2.085275888442993
],
[
2.1417973041534424
],
[
2.1190667152404785
],
[
2.0629591941833496
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
13,
14,
14,
15,
14,
16,
16,
17,
16,
18,
18,
19,
18,
20,
21,
22,
21,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
31,
32,
32,
33,
20,
34,
34,
35,
34,
13
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
14,
13,
15,
14,
16,
14,
17,
16,
18,
16,
19,
18,
20,
18,
22,
21,
23,
21,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
31,
33,
32,
34,
20,
35,
34,
13,
34
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
1,
1
] |
[
[
0,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
17,
18,
19,
20,
21,
23,
24,
24,
67,
67,
25,
28,
28,
27,
27,
29,
29,
32,
32,
31,
31,
33,
33,
36,
35,
35,
37,
37,
62,
62,
40,
39,
41,
42,
43,
44,
45,
46,
47,
48,
49,
50,
51,
52,
53,
54,
55,
56,
57,
58,
59,
61,
66,
63,
65,
65
],
[
2,
4,
1,
6,
3,
8,
5,
10,
7,
12,
9,
14,
11,
16,
13,
18,
15,
20,
17,
22,
19,
21,
26,
28,
63,
64,
67,
30,
32,
25,
28,
25,
26,
34,
36,
29,
32,
29,
30,
62,
33,
36,
33,
34,
66,
64,
42,
40,
38,
44,
41,
46,
43,
48,
45,
50,
47,
52,
49,
54,
51,
56,
53,
58,
55,
60,
57,
59,
24,
37,
66,
63
]
] |
[
[
1.944706916809082
],
[
1.9410309791564941
],
[
1.944706916809082
],
[
1.9808329343795776
],
[
1.9410309791564941
],
[
2.0243921279907227
],
[
1.9808329343795776
],
[
1.9813792705535889
],
[
2.0243921279907227
],
[
1.979572057723999
],
[
1.9813792705535889
],
[
2.024193525314331
],
[
1.979572057723999
],
[
1.982374668121338
],
[
2.024193525314331
],
[
1.936164379119873
],
[
1.982374668121338
],
[
1.9528453350067139
],
[
1.936164379119873
],
[
2.129207134246826
],
[
1.9528453350067139
],
[
2.129207134246826
],
[
2.0737435817718506
],
[
2.1154050827026367
],
[
2.100389003753662
],
[
2.1190667152404785
],
[
2.079028606414795
],
[
2.1203064918518066
],
[
2.0632174015045166
],
[
2.0737435817718506
],
[
2.0938801765441895
],
[
2.1154050827026367
],
[
2.0938801765441895
],
[
2.0527567863464355
],
[
2.119213581085205
],
[
2.1203064918518066
],
[
2.0995819568634033
],
[
2.0632174015045166
],
[
2.0995819568634033
],
[
2.085275888442993
],
[
2.0527567863464355
],
[
2.1111536026000977
],
[
2.119213581085205
],
[
2.1111536026000977
],
[
2.100389003753662
],
[
2.0629591941833496
],
[
1.9484268426895142
],
[
2.1295719146728516
],
[
2.1295719146728516
],
[
2.027355432510376
],
[
1.9484268426895142
],
[
1.9998127222061157
],
[
2.027355432510376
],
[
2.020228862762451
],
[
1.9998127222061157
],
[
2.0249834060668945
],
[
2.020228862762451
],
[
2.0203857421875
],
[
2.0249834060668945
],
[
2.016918659210205
],
[
2.0203857421875
],
[
2.019059419631958
],
[
2.016918659210205
],
[
1.9781675338745117
],
[
2.019059419631958
],
[
1.9450411796569824
],
[
1.9781675338745117
],
[
1.9450411796569824
],
[
2.079028606414795
],
[
2.085275888442993
],
[
2.1190667152404785
],
[
2.0629591941833496
]
] |
CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
6,
10,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
17,
18,
17,
19,
15,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
28,
30,
30,
31,
31,
32,
32,
33,
32,
34,
34,
35,
8,
3,
20,
10,
35,
30,
22,
5
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
6,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
17,
19,
17,
20,
15,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
30,
28,
31,
30,
32,
31,
33,
32,
34,
32,
35,
34,
3,
8,
10,
20,
30,
35,
5,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
34,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
34,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
4,
4,
3,
3,
5,
5,
6,
71,
71,
7,
7,
8,
8,
9,
10,
10,
77,
77,
11,
11,
12,
18,
18,
18,
13,
13,
14,
14,
70,
70,
15,
17,
17,
19,
19,
22,
73,
73,
21,
21,
21,
23,
23,
23,
24,
25,
26,
27,
28,
28,
28,
29,
32,
32,
38,
38,
31,
31,
31,
33,
33,
33,
35,
35,
37,
37,
72,
72,
72,
39,
39,
39,
40,
41,
41,
42,
42,
76,
76,
43,
44,
45,
45,
46,
47,
48,
49,
50,
51,
52,
53,
54,
54,
55,
58,
58,
57,
57,
59,
59,
60,
75,
61,
61,
62,
62,
63,
66,
65,
65,
67,
67,
68,
74,
74,
69
],
[
2,
4,
6,
71,
1,
4,
1,
2,
8,
15,
16,
5,
71,
10,
77,
7,
12,
18,
43,
44,
9,
77,
14,
20,
22,
73,
11,
18,
70,
16,
5,
6,
13,
70,
15,
11,
12,
24,
39,
40,
19,
22,
73,
19,
20,
73,
26,
23,
28,
25,
30,
32,
38,
27,
34,
36,
72,
40,
29,
32,
38,
29,
30,
38,
33,
36,
33,
34,
19,
20,
22,
29,
30,
32,
42,
72,
39,
76,
44,
9,
10,
41,
46,
76,
43,
48,
45,
50,
47,
52,
49,
54,
51,
56,
58,
53,
60,
75,
55,
58,
55,
56,
62,
69,
59,
75,
64,
66,
61,
68,
63,
66,
63,
64,
74,
59,
60,
67
]
] |
[
[
1.9306395053863525
],
[
1.928467869758606
],
[
2.0883936882019043
],
[
2.1514384746551514
],
[
1.9306395053863525
],
[
1.9748303890228271
],
[
1.928467869758606
],
[
1.9748303890228271
],
[
2.132443428039551
],
[
2.10953426361084
],
[
2.146841049194336
],
[
2.0883936882019043
],
[
2.042616128921509
],
[
2.1061575412750244
],
[
2.0647192001342773
],
[
2.132443428039551
],
[
2.0432722568511963
],
[
2.1149473190307617
],
[
2.065220355987549
],
[
2.0860514640808105
],
[
2.1061575412750244
],
[
2.1117749214172363
],
[
2.131171703338623
],
[
1.8599870204925537
],
[
1.9394103288650513
],
[
1.8829176425933838
],
[
2.0432722568511963
],
[
2.1240787506103516
],
[
2.10953426361084
],
[
2.0266940593719482
],
[
2.1514384746551514
],
[
2.042616128921509
],
[
2.131171703338623
],
[
2.146841049194336
],
[
2.0266940593719482
],
[
2.1149473190307617
],
[
2.1240787506103516
],
[
1.998357892036438
],
[
2.017993211746216
],
[
1.9481184482574463
],
[
1.8599870204925537
],
[
1.9028692245483398
],
[
1.9850260019302368
],
[
1.9394103288650513
],
[
1.9028692245483398
],
[
1.8940554857254028
],
[
1.9451018571853638
],
[
1.998357892036438
],
[
1.967155933380127
],
[
1.9451018571853638
],
[
1.8724136352539062
],
[
1.9545117616653442
],
[
1.8904823064804077
],
[
1.967155933380127
],
[
2.207218885421753
],
[
1.9988086223602295
],
[
2.017993211746216
],
[
1.9882898330688477
],
[
1.8724136352539062
],
[
1.8269675970077515
],
[
1.9327564239501953
],
[
1.9545117616653442
],
[
1.8269675970077515
],
[
1.9834556579589844
],
[
2.207218885421753
],
[
2.0754401683807373
],
[
1.9988086223602295
],
[
2.0754401683807373
],
[
1.8829176425933838
],
[
1.9850260019302368
],
[
1.8940554857254028
],
[
1.8904823064804077
],
[
1.9327564239501953
],
[
1.9834556579589844
],
[
1.9958600997924805
],
[
1.9481184482574463
],
[
1.9882898330688477
],
[
2.065220355987549
],
[
2.13082218170166
],
[
2.0647192001342773
],
[
2.1117749214172363
],
[
1.9958600997924805
],
[
1.941369652748108
],
[
2.0860514640808105
],
[
2.13082218170166
],
[
1.9032585620880127
],
[
1.941369652748108
],
[
1.8857479095458984
],
[
1.9032585620880127
],
[
1.9518812894821167
],
[
1.8857479095458984
],
[
2.11137056350708
],
[
1.9518812894821167
],
[
2.106548309326172
],
[
2.0094313621520996
],
[
2.11137056350708
],
[
2.278200626373291
],
[
2.0710842609405518
],
[
2.106548309326172
],
[
2.167058229446411
],
[
2.0094313621520996
],
[
2.167058229446411
],
[
1.9547680616378784
],
[
1.6166176795959473
],
[
2.278200626373291
],
[
1.9338719844818115
],
[
2.130129337310791
],
[
1.97914719581604
],
[
1.9547680616378784
],
[
1.940239667892456
],
[
2.130129337310791
],
[
2.1738853454589844
],
[
1.97914719581604
],
[
2.1738853454589844
],
[
1.6166176795959473
],
[
2.0710842609405518
],
[
1.9338719844818115
],
[
1.940239667892456
]
] |
[
[
0,
1,
1,
2,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
6,
10,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
15,
16,
17,
18,
17,
19,
15,
20,
20,
21,
21,
22,
22,
23,
23,
24,
25,
26,
28,
29,
30,
31,
31,
32,
32,
33,
32,
34,
34,
35,
8,
3,
20,
10,
35,
30,
22,
5
],
[
1,
0,
2,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
6,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
15,
18,
17,
19,
17,
20,
15,
21,
20,
22,
21,
23,
22,
24,
23,
26,
25,
29,
28,
31,
30,
32,
31,
33,
32,
34,
32,
35,
34,
3,
8,
10,
20,
30,
35,
5,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
2,
2,
2,
1,
1,
1,
1,
1,
3,
3,
4,
5,
5,
6,
6,
6,
6,
6,
6
] |
[
[
0,
3,
4,
59,
59,
5,
6,
6,
7,
8,
8,
65,
65,
9,
9,
10,
16,
16,
16,
11,
11,
12,
12,
58,
13,
15,
15,
17,
17,
20,
61,
61,
19,
19,
19,
21,
21,
21,
22,
23,
24,
25,
26,
26,
27,
34,
34,
29,
29,
31,
33,
60,
60,
60,
35,
35,
36,
37,
37,
38,
38,
64,
64,
39,
40,
41,
41,
43,
48,
63,
49,
50,
50,
51,
54,
53,
53,
55,
55,
56,
62,
57
],
[
2,
1,
6,
13,
14,
59,
8,
65,
5,
10,
16,
39,
40,
7,
65,
12,
18,
20,
61,
9,
16,
58,
14,
4,
11,
58,
13,
9,
10,
22,
35,
36,
17,
20,
61,
17,
18,
61,
24,
21,
26,
23,
28,
34,
25,
60,
36,
27,
34,
32,
30,
17,
18,
20,
27,
28,
38,
60,
35,
64,
40,
7,
8,
37,
42,
64,
39,
41,
50,
57,
63,
52,
54,
49,
56,
51,
54,
51,
52,
62,
48,
55
]
] |
[
[
1.9306395053863525
],
[
1.9306395053863525
],
[
2.132443428039551
],
[
2.10953426361084
],
[
2.146841049194336
],
[
2.042616128921509
],
[
2.1061575412750244
],
[
2.0647192001342773
],
[
2.132443428039551
],
[
2.0432722568511963
],
[
2.1149473190307617
],
[
2.065220355987549
],
[
2.0860514640808105
],
[
2.1061575412750244
],
[
2.1117749214172363
],
[
2.131171703338623
],
[
1.8599870204925537
],
[
1.9394103288650513
],
[
1.8829176425933838
],
[
2.0432722568511963
],
[
2.1240787506103516
],
[
2.10953426361084
],
[
2.0266940593719482
],
[
2.042616128921509
],
[
2.131171703338623
],
[
2.146841049194336
],
[
2.0266940593719482
],
[
2.1149473190307617
],
[
2.1240787506103516
],
[
1.998357892036438
],
[
2.017993211746216
],
[
1.9481184482574463
],
[
1.8599870204925537
],
[
1.9028692245483398
],
[
1.9850260019302368
],
[
1.9394103288650513
],
[
1.9028692245483398
],
[
1.8940554857254028
],
[
1.9451018571853638
],
[
1.998357892036438
],
[
1.967155933380127
],
[
1.9451018571853638
],
[
1.8724136352539062
],
[
1.8904823064804077
],
[
1.967155933380127
],
[
2.017993211746216
],
[
1.9882898330688477
],
[
1.8724136352539062
],
[
1.9327564239501953
],
[
2.0754401683807373
],
[
2.0754401683807373
],
[
1.8829176425933838
],
[
1.9850260019302368
],
[
1.8940554857254028
],
[
1.8904823064804077
],
[
1.9327564239501953
],
[
1.9958600997924805
],
[
1.9481184482574463
],
[
1.9882898330688477
],
[
2.065220355987549
],
[
2.13082218170166
],
[
2.0647192001342773
],
[
2.1117749214172363
],
[
1.9958600997924805
],
[
1.941369652748108
],
[
2.0860514640808105
],
[
2.13082218170166
],
[
1.941369652748108
],
[
1.9547680616378784
],
[
1.6166176795959473
],
[
1.9338719844818115
],
[
2.130129337310791
],
[
1.97914719581604
],
[
1.9547680616378784
],
[
1.940239667892456
],
[
2.130129337310791
],
[
2.1738853454589844
],
[
1.97914719581604
],
[
2.1738853454589844
],
[
1.6166176795959473
],
[
1.9338719844818115
],
[
1.940239667892456
]
] |
CC(C)c1cc2c(cc1Br)C1(C)CCCC(C)(C(=O)O)C1CC2=NOCCNC(=O)c1cc(Br)cs1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
6,
8,
6,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
9,
17,
17,
18,
18,
19,
19,
20,
19,
21,
21,
22,
18,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
27,
29,
29,
30,
30,
31,
5,
32,
32,
33,
33,
2,
16,
11,
26,
17,
30,
25
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
6,
9,
6,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
9,
18,
17,
19,
18,
20,
19,
21,
19,
22,
21,
23,
18,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
27,
30,
29,
31,
30,
32,
5,
33,
32,
2,
33,
11,
16,
17,
26,
25,
30
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
2,
3,
4,
67,
5,
5,
6,
7,
8,
8,
9,
10,
10,
10,
62,
11,
11,
16,
16,
13,
13,
13,
15,
15,
15,
17,
17,
17,
18,
32,
32,
19,
19,
20,
20,
21,
22,
69,
23,
23,
24,
25,
26,
27,
28,
29,
30,
68,
68,
31,
33,
33,
34,
34,
71,
71,
35,
35,
36,
36,
44,
37,
37,
40,
39,
39,
41,
41,
43,
45,
45,
46,
47,
48,
48,
49,
50,
50,
73,
73,
70,
70,
51,
51,
52,
52,
53,
53,
56,
55,
55,
57,
57,
58,
58,
72,
72,
59,
61,
61,
63,
63,
64,
66,
66,
65
],
[
2,
4,
67,
1,
6,
65,
3,
67,
8,
5,
10,
62,
7,
12,
14,
16,
64,
9,
62,
18,
32,
11,
14,
16,
11,
12,
16,
11,
12,
14,
20,
34,
71,
17,
32,
22,
69,
19,
24,
31,
21,
69,
26,
23,
28,
25,
30,
27,
68,
21,
22,
29,
17,
18,
36,
44,
51,
52,
33,
71,
38,
40,
46,
35,
44,
42,
37,
40,
37,
38,
41,
35,
36,
48,
45,
50,
73,
47,
70,
52,
59,
60,
33,
34,
49,
73,
54,
56,
70,
51,
58,
53,
56,
53,
54,
72,
60,
49,
50,
57,
72,
59,
9,
10,
66,
3,
4,
63
]
] |
[
[
2.041971206665039
],
[
2.199230909347534
],
[
1.998740315437317
],
[
2.041971206665039
],
[
2.0982046127319336
],
[
2.107799768447876
],
[
2.199230909347534
],
[
2.0851807594299316
],
[
2.0886101722717285
],
[
2.0982046127319336
],
[
2.091503620147705
],
[
2.1045219898223877
],
[
2.0886101722717285
],
[
1.8718558549880981
],
[
1.8737035989761353
],
[
1.7749892473220825
],
[
2.0815958976745605
],
[
2.091503620147705
],
[
2.086329936981201
],
[
2.017548084259033
],
[
2.0267300605773926
],
[
1.8718558549880981
],
[
2.112039566040039
],
[
1.8984146118164062
],
[
1.8737035989761353
],
[
2.112039566040039
],
[
1.9028384685516357
],
[
1.7749892473220825
],
[
1.8984146118164062
],
[
1.9028384685516357
],
[
2.007207155227661
],
[
2.146514892578125
],
[
2.103975772857666
],
[
2.017548084259033
],
[
2.0925121307373047
],
[
2.1222643852233887
],
[
2.116424322128296
],
[
2.007207155227661
],
[
2.092311382293701
],
[
2.1684584617614746
],
[
2.1222643852233887
],
[
2.0443711280822754
],
[
2.064457893371582
],
[
2.092311382293701
],
[
2.1590137481689453
],
[
2.064457893371582
],
[
2.0376429557800293
],
[
2.1590137481689453
],
[
2.1684584617614746
],
[
2.116424322128296
],
[
2.0443711280822754
],
[
2.0376429557800293
],
[
2.0267300605773926
],
[
2.0925121307373047
],
[
2.1502041816711426
],
[
2.097611665725708
],
[
2.047903060913086
],
[
2.4235782623291016
],
[
2.146514892578125
],
[
2.0325934886932373
],
[
2.1029584407806396
],
[
2.0155904293060303
],
[
2.183629035949707
],
[
2.1502041816711426
],
[
2.0350229740142822
],
[
1.9928476810455322
],
[
2.1029584407806396
],
[
2.1645541191101074
],
[
2.0155904293060303
],
[
2.1645541191101074
],
[
1.9928476810455322
],
[
2.097611665725708
],
[
2.0350229740142822
],
[
1.9756532907485962
],
[
2.183629035949707
],
[
2.228728771209717
],
[
2.1999118328094482
],
[
1.9756532907485962
],
[
2.047903060913086
],
[
1.8116556406021118
],
[
1.984346866607666
],
[
2.2128453254699707
],
[
2.103975772857666
],
[
2.0325934886932373
],
[
2.228728771209717
],
[
1.8545137643814087
],
[
2.268627882003784
],
[
1.9591717720031738
],
[
2.4235782623291016
],
[
1.8116556406021118
],
[
1.81434965133667
],
[
2.268627882003784
],
[
2.055345296859741
],
[
1.9591717720031738
],
[
2.055345296859741
],
[
1.984346866607666
],
[
2.0859570503234863
],
[
2.1999118328094482
],
[
1.8545137643814087
],
[
1.81434965133667
],
[
2.2128453254699707
],
[
2.0859570503234863
],
[
2.1045219898223877
],
[
2.086329936981201
],
[
2.107799768447876
],
[
1.998740315437317
],
[
2.0851807594299316
],
[
2.0815958976745605
]
] |
[
[
0,
1,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
6,
8,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
17,
18,
19,
20,
19,
21,
21,
22,
18,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
27,
29,
29,
30,
30,
31,
5,
32,
32,
33,
33,
2,
16,
11,
26,
17,
30,
25
],
[
1,
0,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
6,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
18,
17,
20,
19,
21,
19,
22,
21,
23,
18,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
27,
30,
29,
31,
30,
32,
5,
33,
32,
2,
33,
11,
16,
17,
26,
25,
30
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
1,
1,
1,
1,
1,
2,
3,
4,
4,
4,
4,
4,
4,
5,
5,
6,
6,
6,
6,
5,
5,
5,
5,
5,
5,
5,
5,
5,
1,
1
] |
[
[
2,
55,
3,
4,
5,
6,
6,
7,
8,
8,
50,
9,
9,
11,
11,
13,
13,
14,
57,
15,
16,
17,
18,
19,
20,
21,
22,
56,
23,
24,
59,
59,
25,
32,
28,
27,
29,
31,
33,
34,
35,
36,
36,
37,
38,
38,
61,
61,
58,
39,
39,
40,
40,
41,
41,
44,
43,
43,
45,
45,
46,
46,
60,
60,
47,
49,
49,
51,
51,
52,
54,
53
],
[
4,
53,
55,
6,
3,
8,
50,
5,
10,
12,
52,
7,
50,
9,
12,
9,
10,
16,
23,
57,
18,
15,
20,
17,
22,
19,
56,
14,
21,
32,
39,
40,
59,
34,
30,
28,
26,
29,
25,
36,
33,
38,
61,
35,
58,
40,
47,
48,
24,
37,
61,
42,
44,
58,
39,
46,
41,
44,
41,
42,
60,
48,
37,
38,
45,
60,
47,
7,
8,
54,
2,
51
]
] |
[
[
2.0982046127319336
],
[
2.107799768447876
],
[
2.0851807594299316
],
[
2.0886101722717285
],
[
2.0982046127319336
],
[
2.091503620147705
],
[
2.1045219898223877
],
[
2.0886101722717285
],
[
1.8718558549880981
],
[
1.8737035989761353
],
[
2.0815958976745605
],
[
2.091503620147705
],
[
2.086329936981201
],
[
1.8718558549880981
],
[
2.112039566040039
],
[
1.8737035989761353
],
[
2.112039566040039
],
[
2.092311382293701
],
[
2.1684584617614746
],
[
2.0443711280822754
],
[
2.064457893371582
],
[
2.092311382293701
],
[
2.1590137481689453
],
[
2.064457893371582
],
[
2.0376429557800293
],
[
2.1590137481689453
],
[
2.1684584617614746
],
[
2.0443711280822754
],
[
2.0376429557800293
],
[
2.097611665725708
],
[
2.047903060913086
],
[
2.4235782623291016
],
[
2.0325934886932373
],
[
2.183629035949707
],
[
1.9928476810455322
],
[
2.1645541191101074
],
[
2.1645541191101074
],
[
1.9928476810455322
],
[
2.097611665725708
],
[
1.9756532907485962
],
[
2.183629035949707
],
[
2.228728771209717
],
[
2.1999118328094482
],
[
1.9756532907485962
],
[
2.047903060913086
],
[
1.8116556406021118
],
[
1.984346866607666
],
[
2.2128453254699707
],
[
2.0325934886932373
],
[
2.228728771209717
],
[
1.8545137643814087
],
[
2.268627882003784
],
[
1.9591717720031738
],
[
2.4235782623291016
],
[
1.8116556406021118
],
[
1.81434965133667
],
[
2.268627882003784
],
[
2.055345296859741
],
[
1.9591717720031738
],
[
2.055345296859741
],
[
1.984346866607666
],
[
2.0859570503234863
],
[
2.1999118328094482
],
[
1.8545137643814087
],
[
1.81434965133667
],
[
2.2128453254699707
],
[
2.0859570503234863
],
[
2.1045219898223877
],
[
2.086329936981201
],
[
2.107799768447876
],
[
2.0851807594299316
],
[
2.0815958976745605
]
] |
COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3c2c(C)nn3C)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
4,
12,
12,
13,
13,
14,
14,
15,
15,
16,
12,
17,
17,
18,
17,
19,
19,
20,
19,
2,
11,
6,
16,
14
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
4,
13,
12,
14,
13,
15,
14,
16,
15,
17,
12,
18,
17,
19,
17,
20,
19,
2,
19,
6,
11,
14,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
]
] |
[
[
0,
2,
2,
3,
4,
41,
41,
5,
5,
6,
6,
7,
8,
22,
22,
9,
9,
10,
10,
11,
12,
43,
13,
13,
14,
15,
16,
17,
18,
19,
20,
42,
42,
21,
23,
23,
24,
32,
32,
25,
25,
26,
26,
27,
28,
45,
29,
29,
30,
44,
44,
31,
33,
33,
36,
36,
35,
35,
40,
40,
37,
37,
39,
39
],
[
2,
4,
41,
1,
6,
37,
38,
3,
41,
8,
22,
5,
10,
24,
32,
7,
22,
12,
43,
9,
14,
21,
11,
43,
16,
13,
18,
15,
20,
17,
42,
11,
12,
19,
7,
8,
26,
34,
36,
23,
32,
28,
45,
25,
30,
31,
27,
45,
44,
27,
28,
29,
23,
24,
40,
38,
33,
36,
3,
4,
33,
34,
40,
37
]
] |
[
[
1.9079645872116089
],
[
1.8754678964614868
],
[
1.9408035278320312
],
[
1.9079645872116089
],
[
1.9641789197921753
],
[
1.9239070415496826
],
[
1.9585689306259155
],
[
1.8754678964614868
],
[
1.9299381971359253
],
[
1.9081494808197021
],
[
1.9141820669174194
],
[
1.9641789197921753
],
[
2.00447678565979
],
[
1.982885479927063
],
[
1.9146301746368408
],
[
1.9081494808197021
],
[
1.884629249572754
],
[
1.9630881547927856
],
[
1.8567358255386353
],
[
2.00447678565979
],
[
1.9578534364700317
],
[
1.959614872932434
],
[
1.9630881547927856
],
[
1.9322153329849243
],
[
1.953177809715271
],
[
1.9578534364700317
],
[
1.9441883563995361
],
[
1.953177809715271
],
[
1.94324791431427
],
[
1.9441883563995361
],
[
1.959614872932434
],
[
1.8567358255386353
],
[
1.9322153329849243
],
[
1.94324791431427
],
[
1.9141820669174194
],
[
1.884629249572754
],
[
2.010064125061035
],
[
1.9252928495407104
],
[
1.9396703243255615
],
[
1.982885479927063
],
[
1.9752177000045776
],
[
2.1095457077026367
],
[
2.0240612030029297
],
[
2.010064125061035
],
[
1.0154956579208374
],
[
1.108140230178833
],
[
2.1095457077026367
],
[
1.017980694770813
],
[
1.108140230178833
],
[
2.0240612030029297
],
[
1.017980694770813
],
[
1.0154956579208374
],
[
1.9146301746368408
],
[
1.9752177000045776
],
[
1.9239070415496826
],
[
1.9010355472564697
],
[
1.9252928495407104
],
[
1.8986339569091797
],
[
1.9408035278320312
],
[
1.9299381971359253
],
[
1.9396703243255615
],
[
1.8986339569091797
],
[
1.9585689306259155
],
[
1.9010355472564697
]
] |
[
[
0,
1,
2,
3,
3,
4,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
4,
12,
14,
15,
15,
16,
12,
17,
17,
18,
17,
19,
19,
20,
19,
2,
11,
6,
16,
14
],
[
1,
0,
3,
2,
4,
3,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
4,
15,
14,
16,
15,
17,
12,
18,
17,
19,
17,
20,
19,
2,
19,
6,
11,
14,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
1,
1,
2,
3,
3,
3,
3,
3,
3,
1,
4,
5,
5,
5,
1,
1,
1,
1
] |
[
[
2,
31,
31,
3,
4,
5,
16,
6,
33,
7,
8,
9,
10,
11,
12,
13,
14,
32,
15,
17,
22,
22,
18,
35,
19,
20,
34,
21,
23,
26,
26,
25,
25,
30,
27,
27,
29,
29
],
[
4,
27,
28,
31,
16,
3,
22,
8,
15,
33,
10,
7,
12,
9,
14,
11,
32,
6,
13,
5,
24,
26,
20,
21,
35,
34,
18,
19,
17,
30,
28,
23,
26,
2,
23,
24,
30,
27
]
] |
[
[
1.9641789197921753
],
[
1.9239070415496826
],
[
1.9585689306259155
],
[
1.9299381971359253
],
[
1.9141820669174194
],
[
1.9641789197921753
],
[
1.9146301746368408
],
[
1.9578534364700317
],
[
1.959614872932434
],
[
1.9322153329849243
],
[
1.953177809715271
],
[
1.9578534364700317
],
[
1.9441883563995361
],
[
1.953177809715271
],
[
1.94324791431427
],
[
1.9441883563995361
],
[
1.959614872932434
],
[
1.9322153329849243
],
[
1.94324791431427
],
[
1.9141820669174194
],
[
1.9252928495407104
],
[
1.9396703243255615
],
[
1.0154956579208374
],
[
1.108140230178833
],
[
1.017980694770813
],
[
1.108140230178833
],
[
1.017980694770813
],
[
1.0154956579208374
],
[
1.9146301746368408
],
[
1.9239070415496826
],
[
1.9010355472564697
],
[
1.9252928495407104
],
[
1.8986339569091797
],
[
1.9299381971359253
],
[
1.9396703243255615
],
[
1.8986339569091797
],
[
1.9585689306259155
],
[
1.9010355472564697
]
] |
OCC1OC(OC2CCCCC2)C(CC2CO2)C(O)C1O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
1,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
24,
26,
24,
27,
23,
28,
28,
29,
8,
3,
19,
10,
29,
20,
18,
13
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
1,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
24,
27,
24,
28,
23,
29,
28,
3,
8,
10,
19,
20,
29,
13,
18
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
18,
18,
3,
3,
4,
4,
5,
6,
59,
59,
7,
7,
8,
9,
10,
11,
12,
13,
14,
14,
58,
58,
15,
17,
17,
19,
19,
20,
61,
61,
21,
21,
22,
23,
24,
24,
25,
26,
65,
65,
27,
27,
28,
29,
30,
31,
32,
33,
34,
34,
64,
64,
35,
36,
36,
60,
60,
37,
37,
38,
38,
39,
39,
40,
63,
41,
41,
42,
43,
44,
44,
45,
46,
46,
46,
54,
47,
47,
49,
49,
49,
51,
51,
51,
53,
53,
53,
55,
55,
56,
62,
62,
57
],
[
2,
18,
4,
20,
61,
1,
18,
6,
59,
3,
8,
15,
16,
5,
59,
10,
7,
12,
9,
14,
11,
58,
16,
5,
6,
13,
58,
15,
1,
2,
22,
37,
38,
19,
61,
24,
21,
26,
65,
23,
28,
35,
36,
25,
65,
30,
27,
32,
29,
34,
31,
64,
36,
25,
26,
33,
60,
38,
19,
20,
64,
35,
40,
63,
60,
37,
42,
57,
39,
63,
44,
41,
46,
54,
43,
48,
50,
52,
56,
45,
54,
47,
50,
52,
47,
48,
52,
47,
48,
50,
45,
46,
62,
39,
40,
55
]
] |
[
[
2.1570370197296143
],
[
2.1231184005737305
],
[
2.221013307571411
],
[
2.2008187770843506
],
[
2.056440830230713
],
[
2.1570370197296143
],
[
2.002917766571045
],
[
2.1679697036743164
],
[
2.0467240810394287
],
[
2.221013307571411
],
[
2.0978832244873047
],
[
2.123331308364868
],
[
2.084813117980957
],
[
2.1679697036743164
],
[
2.068119764328003
],
[
2.103151321411133
],
[
2.0978832244873047
],
[
2.0898993015289307
],
[
2.103151321411133
],
[
2.0838184356689453
],
[
2.0898993015289307
],
[
2.123331308364868
],
[
2.075014591217041
],
[
2.0467240810394287
],
[
2.068119764328003
],
[
2.0838184356689453
],
[
2.084813117980957
],
[
2.075014591217041
],
[
2.1231184005737305
],
[
2.002917766571045
],
[
1.9331148862838745
],
[
1.9796116352081299
],
[
1.909583330154419
],
[
2.2008187770843506
],
[
2.0250234603881836
],
[
1.9513442516326904
],
[
1.9331148862838745
],
[
2.0885143280029297
],
[
2.100949287414551
],
[
1.9513442516326904
],
[
2.1030778884887695
],
[
2.0732994079589844
],
[
2.124527931213379
],
[
2.0885143280029297
],
[
2.0924015045166016
],
[
2.0942962169647217
],
[
2.1030778884887695
],
[
2.093676805496216
],
[
2.0942962169647217
],
[
2.109457492828369
],
[
2.093676805496216
],
[
2.0732994079589844
],
[
2.085298538208008
],
[
2.100949287414551
],
[
2.0924015045166016
],
[
2.109457492828369
],
[
1.9796116352081299
],
[
1.9847195148468018
],
[
2.056440830230713
],
[
2.0250234603881836
],
[
2.124527931213379
],
[
2.085298538208008
],
[
2.083735466003418
],
[
2.1345295906066895
],
[
1.909583330154419
],
[
1.9847195148468018
],
[
2.1109213829040527
],
[
2.1084299087524414
],
[
2.083735466003418
],
[
2.064391613006592
],
[
2.1039681434631348
],
[
2.1109213829040527
],
[
2.104877471923828
],
[
2.0727763175964355
],
[
2.1039681434631348
],
[
1.961386799812317
],
[
1.9742319583892822
],
[
1.9760277271270752
],
[
2.105689525604248
],
[
2.104877471923828
],
[
2.105184555053711
],
[
1.961386799812317
],
[
1.8476781845092773
],
[
1.8487344980239868
],
[
1.9742319583892822
],
[
1.8476781845092773
],
[
1.844832420349121
],
[
1.9760277271270752
],
[
1.8487344980239868
],
[
1.844832420349121
],
[
2.0727763175964355
],
[
2.105184555053711
],
[
2.1084299087524414
],
[
2.1345295906066895
],
[
2.064391613006592
],
[
2.105689525604248
]
] |
[
[
0,
1,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
24,
25,
24,
26,
24,
27,
23,
28,
28,
29,
8,
3,
19,
10,
29,
20,
18,
13
],
[
1,
0,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
25,
24,
26,
24,
27,
24,
28,
23,
29,
28,
3,
8,
10,
19,
20,
29,
13,
18
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
2,
2,
2,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
4,
4,
4,
4,
3,
3
] |
[
[
2,
51,
51,
3,
4,
5,
6,
7,
8,
9,
10,
10,
50,
11,
13,
13,
14,
53,
53,
15,
16,
17,
18,
18,
19,
20,
57,
57,
21,
21,
22,
23,
24,
25,
26,
27,
28,
28,
56,
56,
29,
30,
30,
52,
31,
31,
32,
32,
33,
33,
34,
55,
35,
35,
36,
37,
38,
39,
46,
41,
41,
43,
43,
45,
45,
47,
48,
54,
54,
49
],
[
4,
11,
12,
51,
6,
3,
8,
5,
10,
7,
50,
12,
2,
9,
50,
11,
16,
31,
32,
53,
18,
15,
20,
57,
17,
22,
29,
30,
19,
57,
24,
21,
26,
23,
28,
25,
56,
30,
19,
20,
27,
52,
32,
14,
56,
29,
34,
55,
52,
31,
36,
49,
33,
55,
38,
35,
46,
37,
48,
42,
44,
40,
44,
40,
42,
39,
54,
33,
34,
47
]
] |
[
[
2.0978832244873047
],
[
2.123331308364868
],
[
2.084813117980957
],
[
2.068119764328003
],
[
2.103151321411133
],
[
2.0978832244873047
],
[
2.0898993015289307
],
[
2.103151321411133
],
[
2.0838184356689453
],
[
2.0898993015289307
],
[
2.123331308364868
],
[
2.075014591217041
],
[
2.068119764328003
],
[
2.0838184356689453
],
[
2.084813117980957
],
[
2.075014591217041
],
[
1.9331148862838745
],
[
1.9796116352081299
],
[
1.909583330154419
],
[
2.0250234603881836
],
[
1.9513442516326904
],
[
1.9331148862838745
],
[
2.0885143280029297
],
[
2.100949287414551
],
[
1.9513442516326904
],
[
2.1030778884887695
],
[
2.0732994079589844
],
[
2.124527931213379
],
[
2.0885143280029297
],
[
2.0924015045166016
],
[
2.0942962169647217
],
[
2.1030778884887695
],
[
2.093676805496216
],
[
2.0942962169647217
],
[
2.109457492828369
],
[
2.093676805496216
],
[
2.0732994079589844
],
[
2.085298538208008
],
[
2.100949287414551
],
[
2.0924015045166016
],
[
2.109457492828369
],
[
1.9796116352081299
],
[
1.9847195148468018
],
[
2.0250234603881836
],
[
2.124527931213379
],
[
2.085298538208008
],
[
2.083735466003418
],
[
2.1345295906066895
],
[
1.909583330154419
],
[
1.9847195148468018
],
[
2.1109213829040527
],
[
2.1084299087524414
],
[
2.083735466003418
],
[
2.064391613006592
],
[
2.1039681434631348
],
[
2.1109213829040527
],
[
2.0727763175964355
],
[
2.1039681434631348
],
[
2.105689525604248
],
[
1.8476781845092773
],
[
1.8487344980239868
],
[
1.8476781845092773
],
[
1.844832420349121
],
[
1.8487344980239868
],
[
1.844832420349121
],
[
2.0727763175964355
],
[
2.1084299087524414
],
[
2.1345295906066895
],
[
2.064391613006592
],
[
2.105689525604248
]
] |
O=C(Nc1ccccc1F)N1CCc2ccccc2C1c1ccc(C(F)(F)F)cc1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
7,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
10,
16,
16,
17,
16,
5
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
10,
17,
16,
5,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
]
] |
[
[
0,
0,
4,
3,
3,
5,
5,
6,
7,
8,
8,
9,
10,
35,
35,
11,
11,
12,
12,
13,
16,
15,
15,
17,
17,
18,
18,
19,
20,
30,
30,
21,
21,
22,
23,
24,
24,
25,
27,
27,
29,
29,
34,
34,
31,
31,
33,
33
],
[
2,
4,
6,
1,
4,
1,
2,
8,
5,
10,
35,
7,
12,
31,
32,
9,
35,
14,
16,
11,
18,
13,
16,
13,
14,
20,
30,
17,
22,
34,
32,
19,
30,
24,
21,
26,
28,
23,
25,
28,
25,
26,
9,
10,
19,
20,
34,
31
]
] |
[
[
2.173811197280884
],
[
1.9207816123962402
],
[
1.9864311218261719
],
[
2.173811197280884
],
[
2.188566207885742
],
[
1.9207816123962402
],
[
2.188566207885742
],
[
1.9264448881149292
],
[
1.9864311218261719
],
[
2.188845157623291
],
[
2.001893997192383
],
[
1.9264448881149292
],
[
2.1325671672821045
],
[
2.06658673286438
],
[
2.1082868576049805
],
[
2.188845157623291
],
[
2.0924220085144043
],
[
2.116701126098633
],
[
2.049757719039917
],
[
2.1325671672821045
],
[
2.1325674057006836
],
[
2.116701126098633
],
[
2.116701126098633
],
[
2.049757719039917
],
[
2.116701126098633
],
[
2.188845157623291
],
[
2.092421770095825
],
[
2.1325674057006836
],
[
1.9264447689056396
],
[
2.06658673286438
],
[
2.1082868576049805
],
[
2.188845157623291
],
[
2.001893997192383
],
[
1.98643159866333
],
[
1.9264447689056396
],
[
1.9207814931869507
],
[
2.188566207885742
],
[
1.98643159866333
],
[
1.9207814931869507
],
[
2.173811435699463
],
[
2.188566207885742
],
[
2.173811435699463
],
[
2.001893997192383
],
[
2.0924220085144043
],
[
2.092421770095825
],
[
2.001893997192383
],
[
2.1082868576049805
],
[
2.1082868576049805
]
] |
[
[
0,
1,
1,
2,
4,
5,
5,
6,
6,
7,
7,
8,
7,
9,
9,
10,
10,
11,
13,
14,
13,
15,
10,
16,
16,
17,
16,
5
],
[
1,
0,
2,
1,
5,
4,
6,
5,
7,
6,
8,
7,
9,
7,
10,
9,
11,
10,
14,
13,
15,
13,
16,
10,
17,
16,
5,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
0,
0,
0,
1,
2,
2,
2,
2,
2,
2,
2,
2,
3,
4,
4,
4,
2,
2
] |
[
[
0,
3,
4,
4,
6,
27,
27,
7,
7,
8,
8,
9,
12,
11,
11,
13,
13,
14,
14,
15,
22,
22,
17,
17,
19,
21,
26,
26,
23,
23,
25,
25
],
[
2,
1,
6,
27,
8,
23,
24,
5,
27,
10,
12,
7,
14,
9,
12,
9,
10,
16,
22,
13,
26,
24,
15,
22,
20,
18,
5,
6,
15,
16,
26,
23
]
] |
[
[
2.173811197280884
],
[
2.173811197280884
],
[
2.188845157623291
],
[
2.001893997192383
],
[
2.1325671672821045
],
[
2.06658673286438
],
[
2.1082868576049805
],
[
2.188845157623291
],
[
2.0924220085144043
],
[
2.116701126098633
],
[
2.049757719039917
],
[
2.1325671672821045
],
[
2.1325674057006836
],
[
2.116701126098633
],
[
2.116701126098633
],
[
2.049757719039917
],
[
2.116701126098633
],
[
2.188845157623291
],
[
2.092421770095825
],
[
2.1325674057006836
],
[
2.06658673286438
],
[
2.1082868576049805
],
[
2.188845157623291
],
[
2.001893997192383
],
[
2.173811435699463
],
[
2.173811435699463
],
[
2.001893997192383
],
[
2.0924220085144043
],
[
2.092421770095825
],
[
2.001893997192383
],
[
2.1082868576049805
],
[
2.1082868576049805
]
] |
CC(=O)OCC1=CC(=O)C=C(COC(C)=O)C1=O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
6,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
15,
16,
9,
17,
17,
18,
18,
19,
17,
20,
20,
21,
21,
22,
22,
23,
23,
24,
4,
25,
25,
26,
26,
1,
21,
8,
24,
20
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
6,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
15,
17,
9,
18,
17,
19,
18,
20,
17,
21,
20,
22,
21,
23,
22,
24,
23,
25,
4,
26,
25,
1,
26,
8,
21,
20,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
2,
0,
1
],
[
2,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
2,
5,
0,
0,
0,
0,
0
],
[
6,
0,
1,
5,
0,
0,
0,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
53,
3,
3,
4,
5,
6,
6,
7,
8,
48,
9,
9,
10,
10,
11,
14,
14,
13,
13,
15,
15,
16,
16,
55,
55,
17,
17,
18,
32,
32,
19,
19,
20,
20,
21,
24,
23,
23,
25,
25,
26,
27,
28,
29,
31,
33,
33,
34,
38,
38,
35,
35,
37,
39,
39,
40,
40,
57,
54,
54,
41,
41,
42,
43,
43,
44,
45,
46,
56,
56,
47,
49,
49,
50,
52,
52,
51
],
[
2,
53,
4,
51,
1,
53,
6,
3,
8,
48,
5,
10,
50,
7,
48,
12,
14,
9,
16,
55,
11,
14,
11,
12,
18,
32,
41,
42,
15,
55,
20,
34,
38,
17,
32,
22,
24,
19,
26,
21,
24,
21,
22,
28,
25,
30,
27,
29,
17,
18,
36,
40,
57,
33,
38,
35,
33,
34,
54,
42,
47,
15,
16,
39,
57,
44,
54,
41,
46,
43,
56,
39,
40,
45,
7,
8,
52,
1,
2,
49
]
] |
[
[
2.1064412593841553
],
[
2.1018736362457275
],
[
2.1013736724853516
],
[
2.107210159301758
],
[
2.1064412593841553
],
[
2.0739214420318604
],
[
2.1077592372894287
],
[
2.1013736724853516
],
[
2.0449750423431396
],
[
2.073153018951416
],
[
2.1077592372894287
],
[
2.2271060943603516
],
[
2.1027255058288574
],
[
2.0449750423431396
],
[
2.164879083633423
],
[
2.18198561668396
],
[
1.9975789785385132
],
[
2.2271060943603516
],
[
2.213233709335327
],
[
2.2278072834014893
],
[
2.18198561668396
],
[
2.101433753967285
],
[
1.9975789785385132
],
[
2.101433753967285
],
[
2.0935444831848145
],
[
1.8905036449432373
],
[
1.9495285749435425
],
[
2.364595890045166
],
[
2.213233709335327
],
[
1.841691255569458
],
[
2.2109527587890625
],
[
2.2936339378356934
],
[
1.844960331916809
],
[
2.0935444831848145
],
[
2.2987191677093506
],
[
2.1955788135528564
],
[
1.9500837326049805
],
[
2.2109527587890625
],
[
1.9858102798461914
],
[
2.1955788135528564
],
[
2.1371870040893555
],
[
1.9500837326049805
],
[
2.1371870040893555
],
[
1.9658236503601074
],
[
1.9858102798461914
],
[
1.9216796159744263
],
[
1.9658236503601074
],
[
1.9216796159744263
],
[
1.8905036449432373
],
[
2.2987191677093506
],
[
3.0382964611053467
],
[
1.8979982137680054
],
[
2.4413108825683594
],
[
2.2936339378356934
],
[
2.1408350467681885
],
[
3.0382964611053467
],
[
1.844960331916809
],
[
2.1408350467681885
],
[
1.9495285749435425
],
[
1.9624176025390625
],
[
1.7714488506317139
],
[
2.2278072834014893
],
[
1.841691255569458
],
[
1.8979982137680054
],
[
1.9418705701828003
],
[
1.7881693840026855
],
[
2.364595890045166
],
[
1.9624176025390625
],
[
1.8428285121917725
],
[
1.7881693840026855
],
[
1.7714488506317139
],
[
2.4413108825683594
],
[
1.9418705701828003
],
[
1.8428285121917725
],
[
2.073153018951416
],
[
2.164879083633423
],
[
2.107210159301758
],
[
2.1018736362457275
],
[
2.0739214420318604
],
[
2.1027255058288574
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
6,
7,
8,
9,
11,
12,
11,
13,
13,
14,
14,
15,
15,
16,
9,
17,
17,
18,
18,
19,
17,
20,
20,
21,
21,
22,
22,
23,
23,
24,
4,
25,
25,
26,
26,
1,
21,
8,
24,
20
],
[
1,
0,
2,
1,
3,
2,
4,
3,
7,
6,
9,
8,
12,
11,
13,
11,
14,
13,
15,
14,
16,
15,
17,
9,
18,
17,
19,
18,
20,
17,
21,
20,
22,
21,
23,
22,
24,
23,
25,
4,
26,
25,
1,
26,
8,
21,
20,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
2,
0,
1
],
[
2,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
0,
1,
2,
2,
3,
3,
4,
5,
5,
5,
5,
5,
5,
3,
3,
3,
3,
3,
3,
3,
3,
0,
0
] |
[
[
0,
0,
2,
43,
3,
3,
4,
5,
6,
7,
38,
10,
45,
45,
11,
22,
22,
14,
13,
15,
16,
17,
18,
19,
21,
23,
24,
28,
28,
25,
25,
27,
29,
29,
30,
30,
47,
44,
31,
31,
32,
33,
33,
34,
35,
36,
46,
46,
37,
39,
40,
42,
42,
41
],
[
2,
43,
4,
41,
1,
43,
6,
3,
38,
5,
40,
22,
31,
32,
45,
24,
28,
16,
14,
12,
18,
15,
20,
17,
19,
11,
26,
30,
47,
23,
28,
25,
23,
24,
44,
32,
37,
10,
29,
47,
34,
44,
31,
36,
33,
46,
29,
30,
35,
7,
42,
1,
2,
39
]
] |
[
[
2.1064412593841553
],
[
2.1018736362457275
],
[
2.1013736724853516
],
[
2.107210159301758
],
[
2.1064412593841553
],
[
2.0739214420318604
],
[
2.1077592372894287
],
[
2.1013736724853516
],
[
2.073153018951416
],
[
2.1077592372894287
],
[
2.1027255058288574
],
[
1.8905036449432373
],
[
1.9495285749435425
],
[
2.364595890045166
],
[
1.841691255569458
],
[
2.2936339378356934
],
[
1.844960331916809
],
[
1.9858102798461914
],
[
2.1371870040893555
],
[
2.1371870040893555
],
[
1.9658236503601074
],
[
1.9858102798461914
],
[
1.9216796159744263
],
[
1.9658236503601074
],
[
1.9216796159744263
],
[
1.8905036449432373
],
[
3.0382964611053467
],
[
1.8979982137680054
],
[
2.4413108825683594
],
[
2.2936339378356934
],
[
2.1408350467681885
],
[
3.0382964611053467
],
[
1.844960331916809
],
[
2.1408350467681885
],
[
1.9495285749435425
],
[
1.9624176025390625
],
[
1.7714488506317139
],
[
1.841691255569458
],
[
1.8979982137680054
],
[
1.9418705701828003
],
[
1.7881693840026855
],
[
2.364595890045166
],
[
1.9624176025390625
],
[
1.8428285121917725
],
[
1.7881693840026855
],
[
1.7714488506317139
],
[
2.4413108825683594
],
[
1.9418705701828003
],
[
1.8428285121917725
],
[
2.073153018951416
],
[
2.107210159301758
],
[
2.1018736362457275
],
[
2.0739214420318604
],
[
2.1027255058288574
]
] |
Cc1ccc(NC(=O)c2c(NC(=O)CCCCl)c(C#N)c3n2CCC3)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
7,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
13,
16,
16,
17,
6,
18,
18,
19,
18,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
30,
32,
30,
33,
25,
34,
34,
35,
21,
36,
36,
37,
36,
38,
36,
39,
21,
40,
40,
41,
40,
42,
4,
43,
43,
44,
44,
1,
40,
5,
17,
10,
35,
22
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
13,
17,
16,
18,
6,
19,
18,
20,
18,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
30,
33,
30,
34,
25,
35,
34,
36,
21,
37,
36,
38,
36,
39,
36,
40,
21,
41,
40,
42,
40,
43,
4,
44,
43,
1,
44,
5,
40,
10,
17,
22,
35
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
2,
0,
1
],
[
2,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
2,
5,
0,
0,
0,
0,
0
],
[
6,
0,
1,
5,
0,
0,
0,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
89,
3,
3,
4,
5,
6,
6,
7,
8,
8,
84,
9,
9,
10,
10,
91,
91,
91,
11,
11,
12,
12,
34,
34,
13,
13,
16,
15,
15,
17,
17,
18,
18,
19,
20,
93,
21,
21,
22,
23,
24,
24,
25,
26,
30,
27,
27,
29,
31,
31,
32,
92,
92,
33,
35,
35,
38,
37,
37,
39,
39,
40,
40,
40,
41,
42,
42,
70,
70,
70,
78,
78,
78,
43,
43,
43,
44,
95,
45,
45,
46,
47,
48,
48,
49,
50,
66,
51,
51,
52,
53,
54,
55,
56,
57,
58,
58,
58,
59,
61,
61,
61,
63,
63,
63,
65,
65,
65,
67,
67,
68,
94,
94,
69,
71,
71,
71,
73,
73,
73,
75,
75,
75,
77,
77,
77,
90,
90,
79,
79,
79,
81,
81,
81,
83,
83,
83,
85,
85,
86,
88,
88,
87
],
[
2,
89,
4,
87,
1,
89,
6,
3,
8,
84,
5,
10,
91,
86,
7,
84,
12,
34,
79,
80,
82,
9,
91,
14,
16,
36,
38,
11,
34,
18,
13,
16,
13,
14,
20,
93,
17,
22,
33,
19,
93,
24,
21,
26,
30,
23,
28,
32,
25,
30,
27,
25,
26,
92,
19,
20,
31,
11,
12,
40,
35,
38,
35,
36,
42,
70,
78,
39,
44,
95,
72,
74,
76,
90,
80,
82,
41,
70,
78,
46,
69,
43,
95,
48,
45,
50,
66,
47,
52,
68,
49,
66,
54,
51,
56,
53,
58,
55,
60,
62,
64,
57,
59,
62,
64,
59,
60,
64,
59,
60,
62,
49,
50,
94,
43,
44,
67,
41,
42,
78,
71,
74,
76,
71,
72,
76,
71,
72,
74,
9,
10,
41,
42,
70,
90,
79,
82,
90,
79,
80,
7,
8,
88,
1,
2,
85
]
] |
[
[
2.100735664367676
],
[
2.1042118072509766
],
[
2.1032941341400146
],
[
2.1028494834899902
],
[
2.100735664367676
],
[
2.0770606994628906
],
[
2.1058058738708496
],
[
2.1032941341400146
],
[
2.099153518676758
],
[
2.0709586143493652
],
[
2.1058058738708496
],
[
2.166839599609375
],
[
2.0311999320983887
],
[
2.1057302951812744
],
[
2.099153518676758
],
[
2.112755060195923
],
[
2.1589910984039307
],
[
2.0115561485290527
],
[
1.9834343194961548
],
[
1.8725367784500122
],
[
1.9497184753417969
],
[
2.166839599609375
],
[
2.0850110054016113
],
[
1.9103102684020996
],
[
2.340461015701294
],
[
1.9780527353286743
],
[
2.2733280658721924
],
[
2.1589910984039307
],
[
2.112607955932617
],
[
2.075456142425537
],
[
1.9103102684020996
],
[
2.0323410034179688
],
[
2.340461015701294
],
[
2.0323410034179688
],
[
2.1173617839813232
],
[
2.0861032009124756
],
[
2.075456142425537
],
[
2.1032865047454834
],
[
2.1062777042388916
],
[
2.1173617839813232
],
[
2.0788424015045166
],
[
2.0953941345214844
],
[
2.1032865047454834
],
[
2.0991714000701904
],
[
2.088366985321045
],
[
2.0953941345214844
],
[
3.131579875946045
],
[
2.0934014320373535
],
[
2.0991714000701904
],
[
2.095602512359619
],
[
3.131579875946045
],
[
2.088366985321045
],
[
2.095602512359619
],
[
2.1062777042388916
],
[
2.0861032009124756
],
[
2.0788424015045166
],
[
2.0934014320373535
],
[
2.0115561485290527
],
[
2.112607955932617
],
[
2.0146725177764893
],
[
1.9780527353286743
],
[
2.0315442085266113
],
[
2.2733280658721924
],
[
2.0315442085266113
],
[
1.8277196884155273
],
[
1.9279351234436035
],
[
1.9325401782989502
],
[
2.0146725177764893
],
[
1.974028468132019
],
[
2.015800952911377
],
[
1.9569591283798218
],
[
1.9686089754104614
],
[
1.9518015384674072
],
[
1.9834343194961548
],
[
1.8934659957885742
],
[
1.916057825088501
],
[
1.8277196884155273
],
[
1.9708534479141235
],
[
1.9479119777679443
],
[
1.9547827243804932
],
[
1.957200288772583
],
[
1.974028468132019
],
[
1.9091148376464844
],
[
1.9454145431518555
],
[
1.9547827243804932
],
[
1.8746864795684814
],
[
1.9162180423736572
],
[
1.9454145431518555
],
[
2.008315086364746
],
[
1.9565393924713135
],
[
1.8746864795684814
],
[
1.930188775062561
],
[
1.9455296993255615
],
[
2.008315086364746
],
[
2.0039656162261963
],
[
1.9455296993255615
],
[
2.021169424057007
],
[
2.0039656162261963
],
[
1.9491205215454102
],
[
1.9659883975982666
],
[
1.9084367752075195
],
[
2.021169424057007
],
[
1.9491205215454102
],
[
1.9041824340820312
],
[
1.8689992427825928
],
[
1.9659883975982666
],
[
1.9041824340820312
],
[
1.8625975847244263
],
[
1.9084367752075195
],
[
1.8689992427825928
],
[
1.8625975847244263
],
[
1.9162180423736572
],
[
1.930188775062561
],
[
1.957200288772583
],
[
2.015800952911377
],
[
1.9091148376464844
],
[
1.9565393924713135
],
[
1.9279351234436035
],
[
1.9708534479141235
],
[
1.8584473133087158
],
[
1.9569591283798218
],
[
1.8673936128616333
],
[
1.847381830215454
],
[
1.9686089754104614
],
[
1.8673936128616333
],
[
1.8642029762268066
],
[
1.9518015384674072
],
[
1.847381830215454
],
[
1.8642029762268066
],
[
2.0311999320983887
],
[
2.0850110054016113
],
[
1.9325401782989502
],
[
1.9479119777679443
],
[
1.8584473133087158
],
[
1.8725367784500122
],
[
1.8934659957885742
],
[
1.8417396545410156
],
[
1.9497184753417969
],
[
1.916057825088501
],
[
1.8417396545410156
],
[
2.0709586143493652
],
[
2.112755060195923
],
[
2.1028494834899902
],
[
2.1042118072509766
],
[
2.0770606994628906
],
[
2.1057302951812744
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
7,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
13,
16,
16,
17,
6,
18,
18,
19,
18,
20,
20,
21,
22,
23,
23,
24,
24,
25,
27,
28,
28,
29,
29,
30,
30,
31,
30,
32,
30,
33,
25,
34,
34,
35,
36,
37,
36,
38,
36,
39,
21,
40,
40,
41,
40,
42,
4,
43,
43,
44,
44,
1,
40,
5,
17,
10,
35,
22
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
13,
17,
16,
18,
6,
19,
18,
20,
18,
21,
20,
23,
22,
24,
23,
25,
24,
28,
27,
29,
28,
30,
29,
31,
30,
32,
30,
33,
30,
34,
25,
35,
34,
37,
36,
38,
36,
39,
36,
40,
21,
41,
40,
42,
40,
43,
4,
44,
43,
1,
44,
5,
40,
10,
17,
22,
35
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
2,
0,
1
],
[
2,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
2,
3,
3,
3,
3,
3,
3,
3,
1,
1,
4,
4,
4,
4,
0,
0,
0,
0,
0
] |
[
[
0,
0,
2,
81,
3,
3,
4,
5,
6,
6,
7,
8,
8,
76,
9,
9,
10,
10,
83,
83,
83,
11,
11,
12,
12,
34,
34,
13,
13,
16,
15,
15,
17,
17,
18,
18,
19,
20,
85,
21,
21,
22,
23,
24,
24,
25,
26,
30,
27,
27,
29,
31,
31,
32,
84,
84,
33,
35,
35,
38,
37,
37,
39,
39,
40,
41,
70,
70,
70,
42,
87,
43,
44,
45,
46,
47,
60,
48,
50,
51,
52,
52,
52,
53,
55,
55,
55,
57,
57,
57,
59,
59,
59,
61,
62,
86,
63,
65,
65,
67,
67,
69,
69,
82,
82,
71,
73,
73,
73,
75,
75,
75,
77,
77,
78,
80,
80,
79
],
[
2,
81,
4,
79,
1,
81,
6,
3,
8,
76,
5,
10,
83,
78,
7,
76,
12,
34,
71,
72,
74,
9,
83,
14,
16,
36,
38,
11,
34,
18,
13,
16,
13,
14,
20,
85,
17,
22,
33,
19,
85,
24,
21,
26,
30,
23,
28,
32,
25,
30,
27,
25,
26,
84,
19,
20,
31,
11,
12,
40,
35,
38,
35,
36,
70,
39,
82,
72,
74,
44,
63,
87,
46,
43,
60,
45,
62,
50,
52,
49,
54,
56,
58,
51,
53,
56,
58,
53,
54,
58,
53,
54,
56,
47,
86,
42,
61,
66,
68,
64,
68,
64,
66,
9,
10,
41,
82,
71,
74,
82,
71,
72,
7,
8,
80,
1,
2,
77
]
] |
[
[
2.100735664367676
],
[
2.1042118072509766
],
[
2.1032941341400146
],
[
2.1028494834899902
],
[
2.100735664367676
],
[
2.0770606994628906
],
[
2.1058058738708496
],
[
2.1032941341400146
],
[
2.099153518676758
],
[
2.0709586143493652
],
[
2.1058058738708496
],
[
2.166839599609375
],
[
2.0311999320983887
],
[
2.1057302951812744
],
[
2.099153518676758
],
[
2.112755060195923
],
[
2.1589910984039307
],
[
2.0115561485290527
],
[
1.9834343194961548
],
[
1.8725367784500122
],
[
1.9497184753417969
],
[
2.166839599609375
],
[
2.0850110054016113
],
[
1.9103102684020996
],
[
2.340461015701294
],
[
1.9780527353286743
],
[
2.2733280658721924
],
[
2.1589910984039307
],
[
2.112607955932617
],
[
2.075456142425537
],
[
1.9103102684020996
],
[
2.0323410034179688
],
[
2.340461015701294
],
[
2.0323410034179688
],
[
2.1173617839813232
],
[
2.0861032009124756
],
[
2.075456142425537
],
[
2.1032865047454834
],
[
2.1062777042388916
],
[
2.1173617839813232
],
[
2.0788424015045166
],
[
2.0953941345214844
],
[
2.1032865047454834
],
[
2.0991714000701904
],
[
2.088366985321045
],
[
2.0953941345214844
],
[
3.131579875946045
],
[
2.0934014320373535
],
[
2.0991714000701904
],
[
2.095602512359619
],
[
3.131579875946045
],
[
2.088366985321045
],
[
2.095602512359619
],
[
2.1062777042388916
],
[
2.0861032009124756
],
[
2.0788424015045166
],
[
2.0934014320373535
],
[
2.0115561485290527
],
[
2.112607955932617
],
[
2.0146725177764893
],
[
1.9780527353286743
],
[
2.0315442085266113
],
[
2.2733280658721924
],
[
2.0315442085266113
],
[
1.9325401782989502
],
[
2.0146725177764893
],
[
1.9834343194961548
],
[
1.8934659957885742
],
[
1.916057825088501
],
[
1.9547827243804932
],
[
1.957200288772583
],
[
1.9091148376464844
],
[
1.9454145431518555
],
[
1.9547827243804932
],
[
1.9162180423736572
],
[
1.9454145431518555
],
[
1.9565393924713135
],
[
2.0039656162261963
],
[
2.021169424057007
],
[
2.0039656162261963
],
[
1.9491205215454102
],
[
1.9659883975982666
],
[
1.9084367752075195
],
[
2.021169424057007
],
[
1.9491205215454102
],
[
1.9041824340820312
],
[
1.8689992427825928
],
[
1.9659883975982666
],
[
1.9041824340820312
],
[
1.8625975847244263
],
[
1.9084367752075195
],
[
1.8689992427825928
],
[
1.8625975847244263
],
[
1.9162180423736572
],
[
1.957200288772583
],
[
1.9091148376464844
],
[
1.9565393924713135
],
[
1.8673936128616333
],
[
1.847381830215454
],
[
1.8673936128616333
],
[
1.8642029762268066
],
[
1.847381830215454
],
[
1.8642029762268066
],
[
2.0311999320983887
],
[
2.0850110054016113
],
[
1.9325401782989502
],
[
1.8725367784500122
],
[
1.8934659957885742
],
[
1.8417396545410156
],
[
1.9497184753417969
],
[
1.916057825088501
],
[
1.8417396545410156
],
[
2.0709586143493652
],
[
2.112755060195923
],
[
2.1028494834899902
],
[
2.1042118072509766
],
[
2.0770606994628906
],
[
2.1057302951812744
]
] |
Cc1ccc(C2=C(C(O)=Nc3ccc(C#N)cc3)C(O)=NC(C3CCC(OCCCC(F)(F)F)CC3)(C(F)(F)F)C2(F)F)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
14,
16,
14,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
8,
23,
23,
5,
22,
17
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
14,
17,
14,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
8,
5,
23,
17,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
5,
6,
7,
8,
8,
9,
10,
47,
11,
11,
12,
13,
14,
14,
15,
16,
44,
17,
17,
18,
18,
19,
22,
21,
21,
23,
23,
24,
25,
26,
26,
26,
27,
32,
32,
29,
29,
29,
31,
31,
31,
33,
33,
33,
34,
49,
35,
35,
36,
37,
38,
39,
40,
41,
42,
48,
48,
43,
46,
46,
45,
45
],
[
2,
4,
1,
6,
3,
8,
5,
10,
47,
7,
12,
45,
9,
47,
14,
11,
16,
44,
13,
18,
46,
15,
44,
20,
22,
17,
24,
19,
22,
19,
20,
26,
23,
28,
30,
32,
25,
34,
49,
27,
30,
32,
27,
28,
32,
27,
28,
30,
36,
43,
33,
49,
38,
35,
40,
37,
42,
39,
48,
33,
34,
41,
9,
10,
15,
16
]
] |
[
[
1.8899747133255005
],
[
1.9735839366912842
],
[
1.8899747133255005
],
[
1.9422938823699951
],
[
1.9735839366912842
],
[
1.9442087411880493
],
[
1.9422938823699951
],
[
2.176851987838745
],
[
2.117609739303589
],
[
1.9442087411880493
],
[
1.9563688039779663
],
[
1.5226876735687256
],
[
2.176851987838745
],
[
1.9886246919631958
],
[
1.9516944885253906
],
[
1.9563688039779663
],
[
2.278881311416626
],
[
2.0052998065948486
],
[
1.9516944885253906
],
[
2.1302390098571777
],
[
1.5226876735687256
],
[
2.278881311416626
],
[
1.9989405870437622
],
[
2.2086355686187744
],
[
1.98957097530365
],
[
2.1302390098571777
],
[
1.9418911933898926
],
[
2.2086355686187744
],
[
2.084601402282715
],
[
1.98957097530365
],
[
2.084601402282715
],
[
1.9385404586791992
],
[
1.9418911933898926
],
[
1.8847050666809082
],
[
1.8825957775115967
],
[
1.8075391054153442
],
[
1.9385404586791992
],
[
2.088930130004883
],
[
2.084125518798828
],
[
1.8847050666809082
],
[
2.094572067260742
],
[
1.8852920532226562
],
[
1.8825957775115967
],
[
2.094572067260742
],
[
1.8882973194122314
],
[
1.8075391054153442
],
[
1.8852920532226562
],
[
1.8882973194122314
],
[
2.0833377838134766
],
[
2.082470417022705
],
[
2.088930130004883
],
[
2.110001564025879
],
[
2.0951786041259766
],
[
2.0833377838134766
],
[
2.099651336669922
],
[
2.0951786041259766
],
[
2.095468521118164
],
[
2.099651336669922
],
[
2.082470417022705
],
[
2.084125518798828
],
[
2.110001564025879
],
[
2.095468521118164
],
[
2.117609739303589
],
[
1.9886246919631958
],
[
2.0052998065948486
],
[
1.9989405870437622
]
] |
[
[
0,
1,
3,
4,
5,
6,
6,
7,
7,
8,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
14,
16,
14,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
8,
23,
23,
5,
22,
17
],
[
1,
0,
4,
3,
6,
5,
7,
6,
8,
7,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
14,
17,
14,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
8,
5,
23,
17,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
3,
3,
3,
3,
4,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
3
] |
[
[
4,
37,
5,
6,
7,
8,
9,
34,
12,
11,
13,
14,
15,
16,
16,
16,
17,
22,
22,
19,
19,
19,
21,
21,
21,
23,
23,
23,
24,
39,
25,
25,
26,
27,
28,
29,
30,
31,
32,
38,
38,
33,
36,
35
],
[
6,
35,
37,
8,
5,
34,
7,
36,
14,
12,
10,
16,
13,
18,
20,
22,
15,
24,
39,
17,
20,
22,
17,
18,
22,
17,
18,
20,
26,
33,
23,
39,
28,
25,
30,
27,
32,
29,
38,
23,
24,
31,
4,
9
]
] |
[
[
1.9563688039779663
],
[
1.5226876735687256
],
[
1.9886246919631958
],
[
1.9516944885253906
],
[
1.9563688039779663
],
[
2.0052998065948486
],
[
1.9516944885253906
],
[
1.5226876735687256
],
[
1.9418911933898926
],
[
2.084601402282715
],
[
2.084601402282715
],
[
1.9385404586791992
],
[
1.9418911933898926
],
[
1.8847050666809082
],
[
1.8825957775115967
],
[
1.8075391054153442
],
[
1.9385404586791992
],
[
2.088930130004883
],
[
2.084125518798828
],
[
1.8847050666809082
],
[
2.094572067260742
],
[
1.8852920532226562
],
[
1.8825957775115967
],
[
2.094572067260742
],
[
1.8882973194122314
],
[
1.8075391054153442
],
[
1.8852920532226562
],
[
1.8882973194122314
],
[
2.0833377838134766
],
[
2.082470417022705
],
[
2.088930130004883
],
[
2.110001564025879
],
[
2.0951786041259766
],
[
2.0833377838134766
],
[
2.099651336669922
],
[
2.0951786041259766
],
[
2.095468521118164
],
[
2.099651336669922
],
[
2.082470417022705
],
[
2.084125518798828
],
[
2.110001564025879
],
[
2.095468521118164
],
[
1.9886246919631958
],
[
2.0052998065948486
]
] |
CCOCCc1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1
|
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
5,
6,
6,
7,
7,
8,
7,
9,
7,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
15,
18,
18,
19,
18,
20,
18,
21,
12,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
26,
28,
28,
29,
28,
30,
30,
31,
30,
32,
32,
33,
23,
34,
34,
35,
35,
36,
36,
37,
36,
38,
36,
39,
39,
40,
39,
41,
39,
42,
11,
5,
32,
24,
34,
11
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
7,
10,
7,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
15,
19,
18,
20,
18,
21,
18,
22,
12,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
26,
29,
28,
30,
28,
31,
30,
32,
30,
33,
32,
34,
23,
35,
34,
36,
35,
37,
36,
38,
36,
39,
36,
40,
39,
41,
39,
42,
39,
5,
11,
24,
32,
11,
34
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
13,
0,
4,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
13,
0,
4,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
]
] |
[
[
0,
2,
2,
3,
6,
5,
5,
7,
7,
8,
8,
9,
10,
85,
85,
85,
11,
11,
12,
12,
12,
13,
18,
15,
15,
15,
17,
17,
17,
19,
19,
19,
20,
20,
20,
84,
84,
21,
22,
22,
89,
89,
23,
23,
23,
24,
42,
25,
25,
26,
27,
28,
28,
28,
29,
34,
34,
34,
31,
31,
31,
33,
33,
33,
35,
35,
35,
37,
37,
37,
39,
39,
39,
41,
41,
41,
43,
43,
44,
44,
45,
46,
46,
66,
66,
47,
47,
48,
87,
87,
49,
49,
50,
50,
51,
54,
54,
53,
53,
55,
55,
58,
58,
57,
57,
59,
59,
62,
62,
61,
61,
86,
86,
63,
63,
65,
65,
88,
88,
88,
67,
67,
68,
69,
69,
70,
70,
70,
71,
76,
76,
76,
73,
73,
73,
75,
75,
75,
77,
77,
77,
79,
79,
79,
81,
81,
81,
83,
83,
83
],
[
2,
4,
6,
1,
8,
3,
6,
3,
4,
10,
85,
7,
12,
21,
22,
89,
9,
85,
14,
16,
18,
11,
20,
13,
16,
18,
13,
14,
18,
13,
14,
16,
84,
22,
89,
9,
10,
19,
24,
42,
67,
68,
84,
21,
89,
26,
44,
23,
42,
28,
25,
30,
32,
34,
27,
36,
38,
40,
29,
32,
34,
29,
30,
34,
29,
30,
32,
35,
38,
40,
35,
36,
40,
35,
36,
38,
23,
24,
46,
66,
43,
48,
87,
88,
68,
45,
66,
50,
63,
64,
47,
87,
52,
54,
49,
56,
58,
51,
54,
51,
52,
60,
62,
55,
58,
55,
56,
86,
64,
59,
62,
47,
48,
59,
60,
86,
63,
84,
21,
22,
45,
46,
70,
88,
67,
72,
74,
76,
69,
78,
80,
82,
71,
74,
76,
71,
72,
76,
71,
72,
74,
77,
80,
82,
77,
78,
82,
77,
78,
80
]
] |
[
[
1.9896806478500366
],
[
2.1771023273468018
],
[
1.8868706226348877
],
[
1.9896806478500366
],
[
2.239462375640869
],
[
2.1771023273468018
],
[
2.21913480758667
],
[
1.8868706226348877
],
[
2.21913480758667
],
[
2.1805758476257324
],
[
2.1207191944122314
],
[
2.239462375640869
],
[
1.9327871799468994
],
[
1.8548552989959717
],
[
2.0252740383148193
],
[
2.0265536308288574
],
[
2.1805758476257324
],
[
1.9816638231277466
],
[
1.917457938194275
],
[
1.9268133640289307
],
[
1.6653937101364136
],
[
1.9327871799468994
],
[
1.9814773797988892
],
[
1.917457938194275
],
[
2.123727798461914
],
[
1.8833847045898438
],
[
1.9268133640289307
],
[
2.123727798461914
],
[
1.8903604745864868
],
[
1.6653937101364136
],
[
1.8833847045898438
],
[
1.8903604745864868
],
[
1.8548552989959717
],
[
1.9191135168075562
],
[
1.88480806350708
],
[
2.1207191944122314
],
[
1.9816638231277466
],
[
1.9814773797988892
],
[
2.0479557514190674
],
[
1.8642590045928955
],
[
1.7761601209640503
],
[
1.953458309173584
],
[
2.0252740383148193
],
[
1.9191135168075562
],
[
1.7488925457000732
],
[
1.9143863916397095
],
[
1.8859529495239258
],
[
2.0479557514190674
],
[
1.9138861894607544
],
[
2.1048455238342285
],
[
1.9143863916397095
],
[
1.9753050804138184
],
[
1.9300334453582764
],
[
1.907397747039795
],
[
2.1048455238342285
],
[
1.8926714658737183
],
[
1.9070723056793213
],
[
1.9175848960876465
],
[
1.9753050804138184
],
[
1.9031295776367188
],
[
1.8805180788040161
],
[
1.9300334453582764
],
[
1.9031295776367188
],
[
1.8634799718856812
],
[
1.907397747039795
],
[
1.8805180788040161
],
[
1.8634799718856812
],
[
1.8926714658737183
],
[
1.918670892715454
],
[
1.918107032775879
],
[
1.9070723056793213
],
[
1.918670892715454
],
[
1.9096112251281738
],
[
1.9175848960876465
],
[
1.918107032775879
],
[
1.9096112251281738
],
[
1.8642590045928955
],
[
1.9138861894607544
],
[
1.9045898914337158
],
[
1.8796842098236084
],
[
1.8859529495239258
],
[
2.1012213230133057
],
[
2.0518972873687744
],
[
1.7761601209640503
],
[
1.9745045900344849
],
[
1.9045898914337158
],
[
1.9926166534423828
],
[
2.140286922454834
],
[
2.021005392074585
],
[
2.129833221435547
],
[
2.1012213230133057
],
[
2.129899263381958
],
[
2.1638686656951904
],
[
2.068141222000122
],
[
2.140286922454834
],
[
2.087287425994873
],
[
2.0274667739868164
],
[
2.1638686656951904
],
[
2.051126718521118
],
[
2.068141222000122
],
[
2.051126718521118
],
[
2.0570101737976074
],
[
2.1748931407928467
],
[
2.087287425994873
],
[
2.168405055999756
],
[
2.0274667739868164
],
[
2.168405055999756
],
[
2.021005392074585
],
[
2.1323156356811523
],
[
2.0570101737976074
],
[
2.047595739364624
],
[
2.0518972873687744
],
[
2.129899263381958
],
[
2.1748931407928467
],
[
2.047595739364624
],
[
2.129833221435547
],
[
2.1323156356811523
],
[
2.0265536308288574
],
[
1.88480806350708
],
[
1.7488925457000732
],
[
1.8796842098236084
],
[
1.9926166534423828
],
[
2.127739429473877
],
[
1.953458309173584
],
[
1.9745045900344849
],
[
1.9743729829788208
],
[
1.9814112186431885
],
[
1.8633421659469604
],
[
2.127739429473877
],
[
1.8930011987686157
],
[
1.9106523990631104
],
[
1.8943963050842285
],
[
1.9743729829788208
],
[
1.8996152877807617
],
[
1.8656524419784546
],
[
1.9814112186431885
],
[
1.8996152877807617
],
[
1.872788906097412
],
[
1.8633421659469604
],
[
1.8656524419784546
],
[
1.872788906097412
],
[
1.8930011987686157
],
[
1.9242401123046875
],
[
1.9170234203338623
],
[
1.9106523990631104
],
[
1.9242401123046875
],
[
1.9239603281021118
],
[
1.8943963050842285
],
[
1.9170234203338623
],
[
1.9239603281021118
]
] |
[
[
0,
1,
2,
3,
4,
5,
5,
6,
6,
7,
7,
8,
7,
9,
7,
10,
10,
11,
11,
12,
14,
15,
15,
16,
15,
17,
15,
18,
18,
19,
18,
20,
18,
21,
12,
22,
22,
23,
24,
25,
25,
26,
26,
27,
26,
28,
28,
29,
28,
30,
30,
31,
30,
32,
32,
33,
23,
34,
35,
36,
36,
37,
36,
38,
36,
39,
39,
40,
39,
41,
39,
42,
11,
5,
32,
24,
34,
11
],
[
1,
0,
3,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
7,
10,
7,
11,
10,
12,
11,
15,
14,
16,
15,
17,
15,
18,
15,
19,
18,
20,
18,
21,
18,
22,
12,
23,
22,
25,
24,
26,
25,
27,
26,
28,
26,
29,
28,
30,
28,
31,
30,
32,
30,
33,
32,
34,
23,
36,
35,
37,
36,
38,
36,
39,
36,
40,
39,
41,
39,
42,
39,
5,
11,
24,
32,
11,
34
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
3,
4,
4,
4,
4,
4,
4,
4,
4,
2,
2,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
2,
6,
6,
6,
6,
6,
6,
6,
6
] |
[
[
4,
4,
6,
73,
73,
73,
7,
7,
8,
8,
8,
9,
14,
11,
11,
11,
13,
13,
13,
15,
15,
15,
16,
16,
16,
72,
72,
17,
18,
77,
19,
19,
19,
34,
20,
20,
20,
26,
26,
26,
23,
23,
23,
25,
25,
25,
27,
27,
27,
29,
29,
29,
31,
31,
31,
33,
33,
33,
35,
36,
37,
56,
38,
75,
75,
39,
40,
40,
41,
44,
44,
43,
43,
45,
45,
48,
48,
47,
47,
49,
49,
52,
52,
51,
51,
74,
53,
53,
55,
55,
76,
76,
76,
57,
58,
58,
58,
64,
64,
64,
61,
61,
61,
63,
63,
63,
65,
65,
65,
67,
67,
67,
69,
69,
69,
71,
71,
71
],
[
6,
73,
8,
17,
18,
77,
5,
73,
10,
12,
14,
7,
16,
9,
12,
14,
9,
10,
14,
9,
10,
12,
72,
18,
77,
5,
6,
15,
34,
57,
72,
17,
77,
36,
22,
24,
26,
28,
30,
32,
21,
24,
26,
21,
22,
26,
21,
22,
24,
27,
30,
32,
27,
28,
32,
27,
28,
30,
19,
56,
35,
76,
40,
53,
54,
75,
42,
44,
39,
46,
48,
41,
44,
41,
42,
50,
52,
45,
48,
45,
46,
74,
54,
49,
52,
38,
49,
50,
74,
53,
72,
17,
18,
37,
60,
62,
64,
66,
68,
70,
59,
62,
64,
59,
60,
64,
59,
60,
62,
65,
68,
70,
65,
66,
70,
65,
66,
68
]
] |
[
[
2.1805758476257324
],
[
2.1207191944122314
],
[
1.9327871799468994
],
[
1.8548552989959717
],
[
2.0252740383148193
],
[
2.0265536308288574
],
[
2.1805758476257324
],
[
1.9816638231277466
],
[
1.917457938194275
],
[
1.9268133640289307
],
[
1.6653937101364136
],
[
1.9327871799468994
],
[
1.9814773797988892
],
[
1.917457938194275
],
[
2.123727798461914
],
[
1.8833847045898438
],
[
1.9268133640289307
],
[
2.123727798461914
],
[
1.8903604745864868
],
[
1.6653937101364136
],
[
1.8833847045898438
],
[
1.8903604745864868
],
[
1.8548552989959717
],
[
1.9191135168075562
],
[
1.88480806350708
],
[
2.1207191944122314
],
[
1.9816638231277466
],
[
1.9814773797988892
],
[
1.8642590045928955
],
[
1.7761601209640503
],
[
2.0252740383148193
],
[
1.9191135168075562
],
[
1.7488925457000732
],
[
1.8859529495239258
],
[
1.9753050804138184
],
[
1.9300334453582764
],
[
1.907397747039795
],
[
1.8926714658737183
],
[
1.9070723056793213
],
[
1.9175848960876465
],
[
1.9753050804138184
],
[
1.9031295776367188
],
[
1.8805180788040161
],
[
1.9300334453582764
],
[
1.9031295776367188
],
[
1.8634799718856812
],
[
1.907397747039795
],
[
1.8805180788040161
],
[
1.8634799718856812
],
[
1.8926714658737183
],
[
1.918670892715454
],
[
1.918107032775879
],
[
1.9070723056793213
],
[
1.918670892715454
],
[
1.9096112251281738
],
[
1.9175848960876465
],
[
1.918107032775879
],
[
1.9096112251281738
],
[
1.8642590045928955
],
[
1.8796842098236084
],
[
1.8859529495239258
],
[
1.7761601209640503
],
[
2.140286922454834
],
[
2.021005392074585
],
[
2.129833221435547
],
[
2.129899263381958
],
[
2.1638686656951904
],
[
2.068141222000122
],
[
2.140286922454834
],
[
2.087287425994873
],
[
2.0274667739868164
],
[
2.1638686656951904
],
[
2.051126718521118
],
[
2.068141222000122
],
[
2.051126718521118
],
[
2.0570101737976074
],
[
2.1748931407928467
],
[
2.087287425994873
],
[
2.168405055999756
],
[
2.0274667739868164
],
[
2.168405055999756
],
[
2.021005392074585
],
[
2.1323156356811523
],
[
2.0570101737976074
],
[
2.047595739364624
],
[
2.129899263381958
],
[
2.1748931407928467
],
[
2.047595739364624
],
[
2.129833221435547
],
[
2.1323156356811523
],
[
2.0265536308288574
],
[
1.88480806350708
],
[
1.7488925457000732
],
[
1.8796842098236084
],
[
1.9743729829788208
],
[
1.9814112186431885
],
[
1.8633421659469604
],
[
1.8930011987686157
],
[
1.9106523990631104
],
[
1.8943963050842285
],
[
1.9743729829788208
],
[
1.8996152877807617
],
[
1.8656524419784546
],
[
1.9814112186431885
],
[
1.8996152877807617
],
[
1.872788906097412
],
[
1.8633421659469604
],
[
1.8656524419784546
],
[
1.872788906097412
],
[
1.8930011987686157
],
[
1.9242401123046875
],
[
1.9170234203338623
],
[
1.9106523990631104
],
[
1.9242401123046875
],
[
1.9239603281021118
],
[
1.8943963050842285
],
[
1.9170234203338623
],
[
1.9239603281021118
]
] |
COC(=O)NC1=CS(=O)(=O)OC12C(CO[Si](C)(C)C(C)(C)C)OC(n1cc(C)c(=O)n(C)c1=O)C2O[Si](C)(C)C(C)(C)C
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
5,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
20,
22,
19,
23,
23,
24,
11,
25,
25,
26,
4,
27,
27,
28,
28,
1,
26,
8,
24,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
8,
5,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
20,
23,
19,
24,
23,
25,
11,
26,
25,
27,
4,
28,
27,
1,
28,
8,
26,
16,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
57,
3,
3,
4,
5,
6,
6,
7,
8,
8,
8,
52,
9,
9,
14,
14,
11,
11,
11,
13,
13,
13,
15,
15,
15,
16,
59,
17,
17,
18,
19,
20,
20,
21,
22,
22,
48,
23,
23,
26,
25,
25,
27,
27,
28,
29,
30,
30,
31,
32,
61,
33,
33,
34,
35,
36,
36,
37,
38,
38,
44,
39,
39,
41,
41,
43,
43,
45,
45,
46,
60,
60,
47,
49,
49,
50,
58,
58,
51,
53,
53,
54,
56,
56,
55
],
[
2,
57,
4,
55,
1,
57,
6,
3,
8,
52,
5,
10,
12,
14,
54,
7,
52,
16,
59,
9,
12,
14,
9,
10,
14,
9,
10,
12,
18,
51,
15,
59,
20,
17,
22,
48,
19,
24,
26,
50,
21,
48,
28,
23,
26,
23,
24,
30,
27,
32,
61,
29,
34,
47,
31,
61,
36,
33,
38,
44,
35,
40,
42,
46,
37,
44,
39,
42,
39,
40,
37,
38,
60,
31,
32,
45,
21,
22,
58,
15,
16,
49,
7,
8,
56,
1,
2,
53
]
] |
[
[
2.1000590324401855
],
[
2.099076271057129
],
[
2.102250099182129
],
[
2.10256290435791
],
[
2.1000590324401855
],
[
2.0834274291992188
],
[
2.086655616760254
],
[
2.102250099182129
],
[
2.0890402793884277
],
[
2.104358196258545
],
[
2.086655616760254
],
[
1.8787840604782104
],
[
1.8770751953125
],
[
1.8097625970840454
],
[
2.0865161418914795
],
[
2.0890402793884277
],
[
2.0886571407318115
],
[
2.0350821018218994
],
[
2.034363031387329
],
[
1.8787840604782104
],
[
2.110567569732666
],
[
1.8849737644195557
],
[
1.8770751953125
],
[
2.110567569732666
],
[
1.8801811933517456
],
[
1.8097625970840454
],
[
1.8849737644195557
],
[
1.8801811933517456
],
[
1.9181740283966064
],
[
1.912348985671997
],
[
2.0350821018218994
],
[
1.963938593864441
],
[
1.9227497577667236
],
[
1.9181740283966064
],
[
2.1232895851135254
],
[
1.960268497467041
],
[
1.9227497577667236
],
[
2.1455626487731934
],
[
1.9891706705093384
],
[
1.9298222064971924
],
[
2.1232895851135254
],
[
2.0358269214630127
],
[
2.107484817504883
],
[
2.1455626487731934
],
[
2.1484076976776123
],
[
1.9891706705093384
],
[
2.1484076976776123
],
[
1.9416389465332031
],
[
2.107484817504883
],
[
2.099515914916992
],
[
2.106081485748291
],
[
1.9416389465332031
],
[
2.104246139526367
],
[
2.1032650470733643
],
[
2.099515914916992
],
[
2.0771448612213135
],
[
2.0973434448242188
],
[
2.104246139526367
],
[
2.0652542114257812
],
[
2.0872721672058105
],
[
2.0973434448242188
],
[
2.1988437175750732
],
[
1.969663381576538
],
[
2.0969831943511963
],
[
2.0652542114257812
],
[
2.130631923675537
],
[
2.1988437175750732
],
[
2.114652156829834
],
[
1.969663381576538
],
[
2.114652156829834
],
[
2.0872721672058105
],
[
2.130631923675537
],
[
2.1032650470733643
],
[
2.106081485748291
],
[
2.0771448612213135
],
[
2.0969831943511963
],
[
1.960268497467041
],
[
2.0358269214630127
],
[
1.912348985671997
],
[
2.034363031387329
],
[
1.963938593864441
],
[
1.9298222064971924
],
[
2.104358196258545
],
[
2.0886571407318115
],
[
2.10256290435791
],
[
2.099076271057129
],
[
2.0834274291992188
],
[
2.0865161418914795
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
8,
9,
9,
10,
10,
11,
12,
13,
16,
17,
17,
18,
18,
19,
20,
21,
20,
22,
19,
23,
23,
24,
11,
25,
25,
26,
4,
27,
27,
28,
28,
1,
26,
8,
24,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
9,
8,
10,
9,
11,
10,
13,
12,
17,
16,
18,
17,
19,
18,
21,
20,
22,
20,
23,
19,
24,
23,
25,
11,
26,
25,
27,
4,
28,
27,
1,
28,
8,
26,
16,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
2,
2,
3,
4,
5,
5,
5,
5,
6,
6,
6,
5,
5,
1,
1,
0,
0
] |
[
[
0,
0,
2,
45,
3,
3,
4,
5,
6,
6,
7,
8,
8,
40,
9,
9,
11,
11,
13,
13,
14,
47,
15,
16,
17,
18,
19,
36,
22,
49,
23,
24,
25,
26,
27,
32,
29,
31,
33,
34,
48,
35,
37,
38,
46,
39,
41,
41,
42,
44,
44,
43
],
[
2,
45,
4,
43,
1,
45,
6,
3,
8,
40,
5,
10,
12,
42,
7,
40,
9,
12,
9,
10,
16,
39,
47,
18,
15,
36,
17,
38,
24,
35,
49,
26,
23,
32,
25,
34,
30,
28,
27,
48,
22,
33,
19,
46,
14,
37,
7,
8,
44,
1,
2,
41
]
] |
[
[
2.1000590324401855
],
[
2.099076271057129
],
[
2.102250099182129
],
[
2.10256290435791
],
[
2.1000590324401855
],
[
2.0834274291992188
],
[
2.086655616760254
],
[
2.102250099182129
],
[
2.0890402793884277
],
[
2.104358196258545
],
[
2.086655616760254
],
[
1.8787840604782104
],
[
1.8770751953125
],
[
2.0865161418914795
],
[
2.0890402793884277
],
[
2.0886571407318115
],
[
1.8787840604782104
],
[
2.110567569732666
],
[
1.8770751953125
],
[
2.110567569732666
],
[
1.9181740283966064
],
[
1.912348985671997
],
[
1.963938593864441
],
[
1.9227497577667236
],
[
1.9181740283966064
],
[
1.960268497467041
],
[
1.9227497577667236
],
[
1.9298222064971924
],
[
2.104246139526367
],
[
2.1032650470733643
],
[
2.0771448612213135
],
[
2.0973434448242188
],
[
2.104246139526367
],
[
2.0872721672058105
],
[
2.0973434448242188
],
[
2.0969831943511963
],
[
2.114652156829834
],
[
2.114652156829834
],
[
2.0872721672058105
],
[
2.1032650470733643
],
[
2.0771448612213135
],
[
2.0969831943511963
],
[
1.960268497467041
],
[
1.912348985671997
],
[
1.963938593864441
],
[
1.9298222064971924
],
[
2.104358196258545
],
[
2.0886571407318115
],
[
2.10256290435791
],
[
2.099076271057129
],
[
2.0834274291992188
],
[
2.0865161418914795
]
] |
Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C(=O)O)cc3)CC2)cc1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
3,
5,
3,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
16,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
10,
24,
24,
25,
25,
7,
23,
18
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
3,
6,
3,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
16,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
10,
25,
24,
7,
25,
18,
23
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
4,
4,
4,
3,
3,
5,
5,
10,
7,
7,
7,
9,
9,
9,
11,
11,
11,
12,
12,
13,
14,
51,
15,
15,
16,
17,
18,
18,
19,
20,
46,
21,
21,
22,
23,
24,
25,
26,
27,
28,
29,
30,
30,
31,
34,
34,
33,
33,
35,
35,
36,
53,
37,
37,
38,
39,
40,
41,
42,
43,
44,
52,
52,
45,
47,
47,
48,
50,
50,
49
],
[
2,
4,
6,
8,
10,
1,
4,
1,
2,
12,
5,
8,
10,
5,
6,
10,
5,
6,
8,
14,
51,
11,
16,
49,
13,
51,
18,
15,
20,
46,
17,
22,
48,
19,
46,
24,
21,
26,
23,
28,
25,
30,
27,
32,
34,
29,
36,
53,
31,
34,
31,
32,
38,
45,
35,
53,
40,
37,
42,
39,
44,
41,
52,
35,
36,
43,
19,
20,
50,
13,
14,
47
]
] |
[
[
1.9487611055374146
],
[
2.0040781497955322
],
[
1.908668041229248
],
[
1.885366678237915
],
[
1.7735530138015747
],
[
1.9487611055374146
],
[
1.9823758602142334
],
[
2.0040781497955322
],
[
1.9823758602142334
],
[
2.029292345046997
],
[
1.908668041229248
],
[
2.107271194458008
],
[
1.8969348669052124
],
[
1.885366678237915
],
[
2.107271194458008
],
[
1.8626576662063599
],
[
1.7735530138015747
],
[
1.8969348669052124
],
[
1.8626576662063599
],
[
2.0948376655578613
],
[
2.0949766635894775
],
[
2.029292345046997
],
[
2.096891403198242
],
[
2.0917720794677734
],
[
2.0948376655578613
],
[
2.0924782752990723
],
[
2.097637176513672
],
[
2.096891403198242
],
[
2.201246738433838
],
[
2.0810654163360596
],
[
2.097637176513672
],
[
2.0450873374938965
],
[
2.1062488555908203
],
[
2.201246738433838
],
[
2.000847339630127
],
[
1.9083555936813354
],
[
2.0450873374938965
],
[
2.011493682861328
],
[
1.9083555936813354
],
[
1.961980938911438
],
[
2.011493682861328
],
[
1.9268732070922852
],
[
1.961980938911438
],
[
1.8999693393707275
],
[
1.9716817140579224
],
[
1.9268732070922852
],
[
2.1324658393859863
],
[
2.106597900390625
],
[
1.8999693393707275
],
[
1.9065532684326172
],
[
1.9716817140579224
],
[
1.9065532684326172
],
[
2.093200922012329
],
[
2.169118881225586
],
[
2.1324658393859863
],
[
2.0440380573272705
],
[
2.0631446838378906
],
[
2.093200922012329
],
[
2.159053325653076
],
[
2.0631446838378906
],
[
2.037712335586548
],
[
2.159053325653076
],
[
2.169118881225586
],
[
2.106597900390625
],
[
2.0440380573272705
],
[
2.037712335586548
],
[
2.0810654163360596
],
[
2.000847339630127
],
[
2.0917720794677734
],
[
2.0949766635894775
],
[
2.0924782752990723
],
[
2.1062488555908203
]
] |
[
[
0,
1,
1,
2,
1,
3,
3,
4,
3,
5,
3,
6,
7,
8,
8,
9,
9,
10,
12,
13,
15,
16,
16,
17,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
10,
24,
24,
25,
25,
7,
23,
18
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
3,
6,
3,
8,
7,
9,
8,
10,
9,
13,
12,
16,
15,
17,
16,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
10,
25,
24,
7,
25,
18,
23
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
2,
3,
3,
4,
5,
5,
5,
6,
6,
6,
6,
6,
6,
1,
1
] |
[
[
0,
0,
4,
4,
4,
3,
3,
5,
5,
7,
7,
7,
9,
9,
9,
11,
11,
11,
12,
39,
13,
14,
15,
16,
17,
34,
20,
23,
24,
41,
25,
26,
27,
28,
29,
30,
31,
32,
40,
33,
35,
36,
38,
37
],
[
2,
4,
6,
8,
10,
1,
4,
1,
2,
5,
8,
10,
5,
6,
10,
5,
6,
8,
14,
37,
39,
16,
13,
34,
15,
36,
22,
21,
26,
33,
41,
28,
25,
30,
27,
32,
29,
40,
24,
31,
17,
38,
12,
35
]
] |
[
[
1.9487611055374146
],
[
2.0040781497955322
],
[
1.908668041229248
],
[
1.885366678237915
],
[
1.7735530138015747
],
[
1.9487611055374146
],
[
1.9823758602142334
],
[
2.0040781497955322
],
[
1.9823758602142334
],
[
1.908668041229248
],
[
2.107271194458008
],
[
1.8969348669052124
],
[
1.885366678237915
],
[
2.107271194458008
],
[
1.8626576662063599
],
[
1.7735530138015747
],
[
1.8969348669052124
],
[
1.8626576662063599
],
[
2.096891403198242
],
[
2.0917720794677734
],
[
2.0924782752990723
],
[
2.097637176513672
],
[
2.096891403198242
],
[
2.0810654163360596
],
[
2.097637176513672
],
[
2.1062488555908203
],
[
1.8999693393707275
],
[
1.8999693393707275
],
[
2.093200922012329
],
[
2.169118881225586
],
[
2.0440380573272705
],
[
2.0631446838378906
],
[
2.093200922012329
],
[
2.159053325653076
],
[
2.0631446838378906
],
[
2.037712335586548
],
[
2.159053325653076
],
[
2.169118881225586
],
[
2.0440380573272705
],
[
2.037712335586548
],
[
2.0810654163360596
],
[
2.0917720794677734
],
[
2.0924782752990723
],
[
2.1062488555908203
]
] |
CN(C)S(=O)(=O)Nc1ccc(OCCNCC(O)c2cccnc2)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
6,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
14,
16,
16,
17,
17,
18,
13,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
19,
28,
10,
29,
29,
30,
30,
31,
31,
32,
32,
33,
33,
34,
34,
35,
33,
36,
36,
37,
37,
38,
36,
39,
29,
5,
39,
30,
28,
9,
25,
20
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
6,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
14,
17,
16,
18,
17,
19,
13,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
19,
29,
10,
30,
29,
31,
30,
32,
31,
33,
32,
34,
33,
35,
34,
36,
33,
37,
36,
38,
37,
39,
36,
5,
29,
30,
39,
9,
28,
20,
25
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
4,
5,
8,
8,
7,
7,
9,
9,
10,
10,
79,
79,
11,
11,
14,
13,
13,
15,
15,
16,
16,
17,
18,
18,
83,
19,
19,
20,
20,
56,
56,
21,
21,
24,
24,
23,
23,
25,
25,
26,
26,
36,
36,
27,
27,
30,
29,
29,
31,
31,
32,
33,
35,
37,
37,
38,
38,
54,
39,
39,
40,
85,
85,
41,
41,
42,
43,
44,
45,
46,
47,
48,
48,
84,
84,
49,
50,
51,
51,
53,
82,
82,
55,
55,
78,
78,
57,
57,
58,
58,
59,
59,
60,
81,
61,
61,
62,
63,
64,
64,
65,
66,
70,
70,
67,
67,
69,
71,
71,
72,
76,
73,
73,
75,
80,
80,
77,
77
],
[
2,
4,
1,
6,
8,
3,
10,
79,
5,
8,
5,
6,
12,
14,
57,
58,
9,
79,
16,
11,
14,
11,
12,
18,
83,
15,
20,
56,
55,
17,
83,
22,
24,
78,
58,
19,
56,
26,
36,
21,
24,
21,
22,
28,
30,
38,
54,
25,
36,
32,
27,
30,
27,
28,
34,
31,
33,
25,
26,
40,
85,
82,
37,
54,
42,
49,
50,
39,
85,
44,
41,
46,
43,
48,
45,
84,
50,
39,
40,
47,
52,
84,
49,
51,
17,
18,
37,
38,
9,
10,
19,
20,
60,
81,
78,
57,
62,
77,
59,
81,
64,
61,
66,
70,
63,
68,
72,
76,
65,
70,
67,
65,
66,
74,
80,
71,
76,
73,
59,
60,
71,
72
]
] |
[
[
1.8860387802124023
],
[
1.9891319274902344
],
[
1.8860387802124023
],
[
2.2058968544006348
],
[
1.9207475185394287
],
[
1.9891319274902344
],
[
2.1620309352874756
],
[
1.995376467704773
],
[
2.2058968544006348
],
[
2.1547186374664307
],
[
1.9207475185394287
],
[
2.1547186374664307
],
[
2.176025152206421
],
[
2.084615468978882
],
[
1.9620435237884521
],
[
1.929448127746582
],
[
2.1620309352874756
],
[
2.1256871223449707
],
[
2.165153741836548
],
[
2.176025152206421
],
[
2.0220580101013184
],
[
2.084615468978882
],
[
2.0220580101013184
],
[
2.0904805660247803
],
[
2.0409674644470215
],
[
2.165153741836548
],
[
2.1013808250427246
],
[
2.125328540802002
],
[
1.971218466758728
],
[
2.0904805660247803
],
[
2.151710271835327
],
[
2.1001224517822266
],
[
2.06634521484375
],
[
1.9620435237884521
],
[
1.9305055141448975
],
[
2.1013808250427246
],
[
2.0563881397247314
],
[
1.9228962659835815
],
[
1.9068013429641724
],
[
2.1001224517822266
],
[
2.1165971755981445
],
[
2.06634521484375
],
[
2.1165971755981445
],
[
2.175612449645996
],
[
1.9334092140197754
],
[
1.950495958328247
],
[
1.9600403308868408
],
[
1.9228962659835815
],
[
1.9801462888717651
],
[
1.996358036994934
],
[
2.175612449645996
],
[
2.1741249561309814
],
[
1.9334092140197754
],
[
2.1741249561309814
],
[
1.8881328105926514
],
[
1.996358036994934
],
[
1.8881328105926514
],
[
1.9068013429641724
],
[
1.9801462888717651
],
[
2.1199843883514404
],
[
2.093628168106079
],
[
1.971218466758728
],
[
1.950495958328247
],
[
2.0171308517456055
],
[
2.1107406616210938
],
[
2.094835042953491
],
[
2.020857334136963
],
[
2.1199843883514404
],
[
2.068598747253418
],
[
2.094804525375366
],
[
2.1107406616210938
],
[
2.094346046447754
],
[
2.094804525375366
],
[
2.102677583694458
],
[
2.094346046447754
],
[
2.094835042953491
],
[
2.1674675941467285
],
[
2.093628168106079
],
[
2.068598747253418
],
[
2.102677583694458
],
[
2.055398464202881
],
[
2.020857334136963
],
[
2.1674675941467285
],
[
2.055398464202881
],
[
2.0409674644470215
],
[
2.151710271835327
],
[
1.9600403308868408
],
[
2.0171308517456055
],
[
1.995376467704773
],
[
2.1256871223449707
],
[
2.125328540802002
],
[
2.0563881397247314
],
[
2.117067337036133
],
[
2.094705581665039
],
[
1.929448127746582
],
[
1.9305055141448975
],
[
2.106544017791748
],
[
2.1116943359375
],
[
2.117067337036133
],
[
2.0713751316070557
],
[
2.102797269821167
],
[
2.106544017791748
],
[
2.171090602874756
],
[
2.0849149227142334
],
[
2.102797269821167
],
[
2.0506420135498047
],
[
2.0284271240234375
],
[
2.0889105796813965
],
[
2.171090602874756
],
[
2.0271308422088623
],
[
2.0506420135498047
],
[
2.0849149227142334
],
[
2.0271308422088623
],
[
2.0426621437072754
],
[
2.1116943359375
],
[
2.0284271240234375
],
[
2.1657309532165527
],
[
2.0426621437072754
],
[
2.094705581665039
],
[
2.0713751316070557
],
[
2.0889105796813965
],
[
2.1657309532165527
]
] |
[
[
0,
1,
3,
4,
3,
5,
5,
6,
6,
7,
6,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
14,
15,
17,
18,
13,
19,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
26,
27,
19,
28,
10,
29,
30,
31,
31,
32,
32,
33,
34,
35,
33,
36,
37,
38,
36,
39,
29,
5,
39,
30,
28,
9,
25,
20
],
[
1,
0,
4,
3,
5,
3,
6,
5,
7,
6,
8,
6,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
15,
14,
18,
17,
19,
13,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
27,
26,
28,
19,
29,
10,
31,
30,
32,
31,
33,
32,
35,
34,
36,
33,
38,
37,
39,
36,
5,
29,
30,
39,
9,
28,
20,
25
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
3,
3,
4,
5,
5,
2,
6,
6,
6,
6,
6,
6,
7,
7,
2,
2,
8,
8,
8,
8,
9,
9,
8,
10,
10,
8
] |
[
[
4,
4,
3,
5,
6,
6,
59,
7,
7,
10,
9,
9,
11,
11,
12,
12,
13,
14,
14,
63,
15,
15,
16,
16,
42,
17,
17,
20,
19,
19,
21,
21,
26,
27,
40,
28,
65,
29,
30,
31,
32,
33,
34,
35,
36,
64,
37,
62,
62,
41,
58,
58,
43,
43,
44,
61,
45,
46,
47,
48,
49,
52,
53,
56,
60,
57
],
[
6,
59,
4,
2,
8,
10,
43,
5,
59,
12,
7,
10,
7,
8,
14,
63,
11,
16,
42,
41,
13,
63,
18,
20,
58,
15,
42,
26,
17,
20,
17,
18,
40,
21,
62,
30,
37,
65,
32,
29,
34,
31,
36,
33,
64,
28,
35,
13,
14,
27,
5,
6,
15,
16,
46,
57,
61,
48,
45,
52,
47,
56,
49,
60,
44,
53
]
] |
[
[
2.1620309352874756
],
[
1.995376467704773
],
[
2.1547186374664307
],
[
2.1547186374664307
],
[
2.176025152206421
],
[
2.084615468978882
],
[
1.9620435237884521
],
[
2.1620309352874756
],
[
2.1256871223449707
],
[
2.165153741836548
],
[
2.176025152206421
],
[
2.0220580101013184
],
[
2.084615468978882
],
[
2.0220580101013184
],
[
2.0904805660247803
],
[
2.0409674644470215
],
[
2.165153741836548
],
[
2.1013808250427246
],
[
2.125328540802002
],
[
1.971218466758728
],
[
2.0904805660247803
],
[
2.151710271835327
],
[
2.1001224517822266
],
[
2.06634521484375
],
[
1.9620435237884521
],
[
2.1013808250427246
],
[
2.0563881397247314
],
[
1.9068013429641724
],
[
2.1001224517822266
],
[
2.1165971755981445
],
[
2.06634521484375
],
[
2.1165971755981445
],
[
1.9600403308868408
],
[
1.9068013429641724
],
[
1.971218466758728
],
[
2.1107406616210938
],
[
2.094835042953491
],
[
2.068598747253418
],
[
2.094804525375366
],
[
2.1107406616210938
],
[
2.094346046447754
],
[
2.094804525375366
],
[
2.102677583694458
],
[
2.094346046447754
],
[
2.094835042953491
],
[
2.068598747253418
],
[
2.102677583694458
],
[
2.0409674644470215
],
[
2.151710271835327
],
[
1.9600403308868408
],
[
1.995376467704773
],
[
2.1256871223449707
],
[
2.125328540802002
],
[
2.0563881397247314
],
[
2.106544017791748
],
[
2.1116943359375
],
[
2.0713751316070557
],
[
2.102797269821167
],
[
2.106544017791748
],
[
2.0849149227142334
],
[
2.102797269821167
],
[
2.0889105796813965
],
[
2.0849149227142334
],
[
2.1116943359375
],
[
2.0713751316070557
],
[
2.0889105796813965
]
] |
CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3ccccc3OC)C2)C1c1ccc(OC)c(OC)c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
14,
17,
17,
18,
18,
19,
19,
20,
20,
21,
20,
22,
19,
23,
23,
24,
13,
25,
25,
26,
6,
27,
27,
1,
26,
10,
24,
17
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
14,
18,
17,
19,
18,
20,
19,
21,
20,
22,
20,
23,
19,
24,
23,
25,
13,
26,
25,
27,
6,
1,
27,
10,
26,
17,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
55,
3,
3,
4,
4,
5,
8,
7,
7,
9,
9,
10,
10,
11,
12,
52,
13,
13,
14,
14,
15,
18,
18,
17,
17,
19,
19,
20,
57,
21,
21,
22,
23,
24,
24,
25,
26,
26,
26,
48,
27,
27,
32,
32,
29,
29,
29,
31,
31,
31,
33,
33,
33,
34,
59,
35,
35,
36,
36,
37,
38,
38,
44,
39,
39,
41,
41,
43,
43,
45,
45,
46,
58,
58,
47,
49,
49,
50,
56,
56,
51,
54,
54,
53,
53
],
[
2,
55,
4,
53,
1,
55,
6,
8,
3,
10,
5,
8,
5,
6,
12,
52,
9,
14,
54,
11,
52,
16,
18,
13,
20,
57,
15,
18,
15,
16,
22,
51,
19,
57,
24,
21,
26,
48,
23,
28,
30,
32,
50,
25,
48,
34,
59,
27,
30,
32,
27,
28,
32,
27,
28,
30,
36,
47,
33,
59,
38,
44,
35,
40,
42,
46,
37,
44,
39,
42,
39,
40,
37,
38,
58,
33,
34,
45,
25,
26,
56,
19,
20,
49,
1,
2,
11,
12
]
] |
[
[
2.1000428199768066
],
[
2.1034457683563232
],
[
2.108792781829834
],
[
2.107417106628418
],
[
2.1000428199768066
],
[
2.078885793685913
],
[
2.103572368621826
],
[
2.0781357288360596
],
[
2.108792781829834
],
[
2.107991933822632
],
[
2.103572368621826
],
[
2.10056471824646
],
[
2.0781357288360596
],
[
2.10056471824646
],
[
2.0968637466430664
],
[
2.0843021869659424
],
[
2.107991933822632
],
[
2.085533380508423
],
[
2.107417106628418
],
[
2.0968637466430664
],
[
2.1013970375061035
],
[
2.013141632080078
],
[
2.265789031982422
],
[
2.085533380508423
],
[
1.933021068572998
],
[
1.9668444395065308
],
[
2.013141632080078
],
[
2.0039143562316895
],
[
2.265789031982422
],
[
2.0039143562316895
],
[
1.9718915224075317
],
[
1.990970253944397
],
[
1.933021068572998
],
[
1.9642817974090576
],
[
1.8943520784378052
],
[
1.9718915224075317
],
[
2.0130157470703125
],
[
1.9515451192855835
],
[
1.8943520784378052
],
[
1.8962863683700562
],
[
1.8975958824157715
],
[
1.9267661571502686
],
[
1.9050970077514648
],
[
2.0130157470703125
],
[
2.011370897293091
],
[
2.1884889602661133
],
[
2.1675221920013428
],
[
1.8962863683700562
],
[
2.113816738128662
],
[
1.8106449842453003
],
[
1.8975958824157715
],
[
2.113816738128662
],
[
1.811076283454895
],
[
1.9267661571502686
],
[
1.8106449842453003
],
[
1.811076283454895
],
[
1.83436918258667
],
[
1.8323330879211426
],
[
2.1884889602661133
],
[
1.9271363019943237
],
[
2.1929242610931396
],
[
1.8796443939208984
],
[
1.83436918258667
],
[
1.9479091167449951
],
[
1.951208233833313
],
[
1.9511579275131226
],
[
2.1929242610931396
],
[
2.2105889320373535
],
[
1.9479091167449951
],
[
1.9457001686096191
],
[
1.951208233833313
],
[
1.9457001686096191
],
[
1.8796443939208984
],
[
2.2105889320373535
],
[
1.8323330879211426
],
[
2.1675221920013428
],
[
1.9271363019943237
],
[
1.9511579275131226
],
[
1.9515451192855835
],
[
2.011370897293091
],
[
1.990970253944397
],
[
1.9668444395065308
],
[
1.9642817974090576
],
[
1.9050970077514648
],
[
2.1034457683563232
],
[
2.078885793685913
],
[
2.0843021869659424
],
[
2.1013970375061035
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
12,
13,
14,
15,
14,
16,
14,
17,
17,
18,
18,
19,
20,
21,
20,
22,
19,
23,
23,
24,
13,
25,
25,
26,
6,
27,
27,
1,
26,
10,
24,
17
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
12,
15,
14,
16,
14,
17,
14,
18,
17,
19,
18,
21,
20,
22,
20,
23,
19,
24,
23,
25,
13,
26,
25,
27,
6,
1,
27,
10,
26,
17,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
2,
2,
2,
1,
1,
0,
0,
0
] |
[
[
0,
0,
2,
51,
3,
3,
4,
4,
5,
8,
7,
7,
9,
9,
10,
10,
11,
12,
48,
13,
13,
14,
14,
15,
18,
18,
17,
17,
19,
19,
20,
53,
21,
21,
22,
23,
24,
25,
44,
30,
30,
27,
27,
29,
29,
31,
31,
32,
55,
33,
33,
34,
35,
40,
37,
39,
41,
42,
54,
54,
43,
45,
46,
52,
52,
47,
50,
50,
49,
49
],
[
2,
51,
4,
49,
1,
51,
6,
8,
3,
10,
5,
8,
5,
6,
12,
48,
9,
14,
50,
11,
48,
16,
18,
13,
20,
53,
15,
18,
15,
16,
22,
47,
19,
53,
24,
21,
44,
23,
46,
32,
55,
28,
30,
26,
30,
26,
28,
34,
43,
31,
55,
40,
33,
42,
38,
36,
35,
54,
31,
32,
41,
25,
52,
19,
20,
45,
1,
2,
11,
12
]
] |
[
[
2.1000428199768066
],
[
2.1034457683563232
],
[
2.108792781829834
],
[
2.107417106628418
],
[
2.1000428199768066
],
[
2.078885793685913
],
[
2.103572368621826
],
[
2.0781357288360596
],
[
2.108792781829834
],
[
2.107991933822632
],
[
2.103572368621826
],
[
2.10056471824646
],
[
2.0781357288360596
],
[
2.10056471824646
],
[
2.0968637466430664
],
[
2.0843021869659424
],
[
2.107991933822632
],
[
2.085533380508423
],
[
2.107417106628418
],
[
2.0968637466430664
],
[
2.1013970375061035
],
[
2.013141632080078
],
[
2.265789031982422
],
[
2.085533380508423
],
[
1.933021068572998
],
[
1.9668444395065308
],
[
2.013141632080078
],
[
2.0039143562316895
],
[
2.265789031982422
],
[
2.0039143562316895
],
[
1.9718915224075317
],
[
1.990970253944397
],
[
1.933021068572998
],
[
1.9642817974090576
],
[
1.8943520784378052
],
[
1.9718915224075317
],
[
1.9515451192855835
],
[
1.8943520784378052
],
[
1.9050970077514648
],
[
2.1884889602661133
],
[
2.1675221920013428
],
[
2.113816738128662
],
[
1.8106449842453003
],
[
2.113816738128662
],
[
1.811076283454895
],
[
1.8106449842453003
],
[
1.811076283454895
],
[
1.83436918258667
],
[
1.8323330879211426
],
[
2.1884889602661133
],
[
1.9271363019943237
],
[
1.8796443939208984
],
[
1.83436918258667
],
[
1.9511579275131226
],
[
1.9457001686096191
],
[
1.9457001686096191
],
[
1.8796443939208984
],
[
1.8323330879211426
],
[
2.1675221920013428
],
[
1.9271363019943237
],
[
1.9511579275131226
],
[
1.9515451192855835
],
[
1.990970253944397
],
[
1.9668444395065308
],
[
1.9642817974090576
],
[
1.9050970077514648
],
[
2.1034457683563232
],
[
2.078885793685913
],
[
2.0843021869659424
],
[
2.1013970375061035
]
] |
Cc1cc(C)cc(N=C(O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
4,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
6
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
4,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
6,
11
]
] |
[
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
4,
3,
3,
5,
5,
6,
6,
7,
10,
10,
9,
9,
11,
11,
12,
23,
13,
13,
14,
15,
16,
17,
18,
19,
20,
22,
22,
21
],
[
2,
4,
6,
1,
4,
1,
2,
8,
10,
5,
12,
23,
7,
10,
7,
8,
14,
21,
11,
23,
16,
13,
18,
15,
20,
17,
22,
11,
12,
19
]
] |
[
[
2.097562789916992
],
[
1.953892469406128
],
[
2.1101179122924805
],
[
2.097562789916992
],
[
2.2316906452178955
],
[
1.953892469406128
],
[
2.2316906452178955
],
[
2.1999661922454834
],
[
1.9765876531600952
],
[
2.1101179122924805
],
[
2.104299545288086
],
[
2.034857988357544
],
[
2.1999661922454834
],
[
2.1008572578430176
],
[
1.9765876531600952
],
[
2.1008572578430176
],
[
2.128091335296631
],
[
1.9994505643844604
],
[
2.104299545288086
],
[
2.1440017223358154
],
[
2.015615463256836
],
[
2.128091335296631
],
[
2.137761116027832
],
[
2.015615463256836
],
[
2.141392707824707
],
[
2.137761116027832
],
[
1.9994505643844604
],
[
2.034857988357544
],
[
2.1440017223358154
],
[
2.141392707824707
]
] |
[
[
0,
1,
1,
2,
4,
5,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
6
],
[
1,
0,
2,
1,
5,
4,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
6,
11
]
] |
[
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
1,
2,
2,
3,
3,
3,
3,
3,
3
] |
[
[
0,
3,
6,
17,
7,
8,
9,
10,
11,
12,
13,
14,
16,
15
],
[
2,
1,
8,
15,
17,
10,
7,
12,
9,
14,
11,
16,
6,
13
]
] |
[
[
2.097562789916992
],
[
2.097562789916992
],
[
2.128091335296631
],
[
1.9994505643844604
],
[
2.1440017223358154
],
[
2.015615463256836
],
[
2.128091335296631
],
[
2.137761116027832
],
[
2.015615463256836
],
[
2.141392707824707
],
[
2.137761116027832
],
[
1.9994505643844604
],
[
2.1440017223358154
],
[
2.141392707824707
]
] |
NC(=O)NC(=O)c1cnccn1
|
[
[
0,
1,
1,
2,
1,
3,
1,
4,
4,
5,
5,
6,
6,
7,
6,
8,
8,
9,
9,
10,
10,
11,
10,
4
],
[
1,
0,
2,
1,
3,
1,
4,
1,
5,
4,
6,
5,
7,
6,
8,
6,
9,
8,
10,
9,
11,
10,
4,
10
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
]
] |
[
[
0,
0,
0,
6,
6,
3,
3,
3,
5,
5,
5,
7,
7,
7,
8,
23,
23,
9,
9,
10,
10,
11,
14,
13,
13,
15,
15,
16,
17,
18,
18,
22,
22,
19,
21,
21
],
[
2,
4,
6,
8,
23,
1,
4,
6,
1,
2,
6,
1,
2,
4,
10,
19,
20,
7,
23,
12,
14,
9,
16,
11,
14,
11,
12,
18,
15,
22,
20,
7,
8,
17,
22,
19
]
] |
[
[
1.9163504838943481
],
[
1.8568180799484253
],
[
1.9303263425827026
],
[
2.1688027381896973
],
[
2.066434621810913
],
[
1.9163504838943481
],
[
1.8568181991577148
],
[
1.9303264617919922
],
[
1.8568180799484253
],
[
1.8568181991577148
],
[
1.9702911376953125
],
[
1.9303263425827026
],
[
1.9303264617919922
],
[
1.9702911376953125
],
[
2.165201425552368
],
[
2.0680882930755615
],
[
2.149325370788574
],
[
2.1688027381896973
],
[
2.047924041748047
],
[
2.11690616607666
],
[
2.0496726036071777
],
[
2.165201425552368
],
[
2.10207462310791
],
[
2.11690616607666
],
[
2.1165809631347656
],
[
2.0496726036071777
],
[
2.1165809631347656
],
[
2.1333606243133545
],
[
2.10207462310791
],
[
2.0680882930755615
],
[
2.065746545791626
],
[
2.066434621810913
],
[
2.047924041748047
],
[
2.1333606243133545
],
[
2.149325370788574
],
[
2.065746545791626
]
] |
[
[
0,
1,
1,
2,
1,
3,
1,
4,
4,
5,
5,
6,
6,
7,
6,
8,
8,
9,
9,
10,
10,
11,
10,
4
],
[
1,
0,
2,
1,
3,
1,
4,
1,
5,
4,
6,
5,
7,
6,
8,
6,
9,
8,
10,
9,
11,
10,
4,
10
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0,
6,
6,
3,
3,
3,
5,
5,
5,
7,
7,
7,
8,
23,
23,
9,
9,
10,
10,
11,
14,
13,
13,
15,
15,
16,
17,
18,
18,
22,
22,
19,
21,
21
],
[
2,
4,
6,
8,
23,
1,
4,
6,
1,
2,
6,
1,
2,
4,
10,
19,
20,
7,
23,
12,
14,
9,
16,
11,
14,
11,
12,
18,
15,
22,
20,
7,
8,
17,
22,
19
]
] |
[
[
1.9163504838943481
],
[
1.8568180799484253
],
[
1.9303263425827026
],
[
2.1688027381896973
],
[
2.066434621810913
],
[
1.9163504838943481
],
[
1.8568181991577148
],
[
1.9303264617919922
],
[
1.8568180799484253
],
[
1.8568181991577148
],
[
1.9702911376953125
],
[
1.9303263425827026
],
[
1.9303264617919922
],
[
1.9702911376953125
],
[
2.165201425552368
],
[
2.0680882930755615
],
[
2.149325370788574
],
[
2.1688027381896973
],
[
2.047924041748047
],
[
2.11690616607666
],
[
2.0496726036071777
],
[
2.165201425552368
],
[
2.10207462310791
],
[
2.11690616607666
],
[
2.1165809631347656
],
[
2.0496726036071777
],
[
2.1165809631347656
],
[
2.1333606243133545
],
[
2.10207462310791
],
[
2.0680882930755615
],
[
2.065746545791626
],
[
2.066434621810913
],
[
2.047924041748047
],
[
2.1333606243133545
],
[
2.149325370788574
],
[
2.065746545791626
]
] |
CC(C)(C)C1=CC(=O)C=CC1=O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
1,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
15,
17,
15,
18,
18,
19,
19,
20,
20,
21,
21,
22,
14,
23,
8,
3,
23,
9,
22,
18
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
1,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
15,
18,
15,
19,
18,
20,
19,
21,
20,
22,
21,
23,
14,
3,
8,
9,
23,
18,
22
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
34,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
16,
16,
3,
3,
4,
4,
5,
6,
47,
7,
7,
8,
9,
10,
11,
12,
13,
14,
46,
46,
15,
17,
17,
18,
49,
19,
19,
20,
21,
22,
22,
23,
26,
26,
25,
25,
27,
27,
28,
28,
28,
44,
29,
29,
34,
34,
31,
31,
31,
33,
33,
33,
35,
35,
35,
36,
51,
37,
37,
38,
39,
40,
41,
42,
50,
50,
43,
48,
48,
45,
45
],
[
2,
16,
4,
18,
49,
1,
16,
6,
47,
3,
8,
15,
5,
47,
10,
7,
12,
9,
14,
11,
46,
5,
6,
13,
1,
2,
20,
45,
17,
49,
22,
19,
24,
26,
21,
28,
44,
23,
26,
23,
24,
30,
32,
34,
48,
27,
44,
36,
51,
29,
32,
34,
29,
30,
34,
29,
30,
32,
38,
43,
35,
51,
40,
37,
42,
39,
50,
35,
36,
41,
17,
18,
27,
28
]
] |
[
[
2.2081265449523926
],
[
2.0613443851470947
],
[
2.2056775093078613
],
[
2.068507671356201
],
[
2.1287336349487305
],
[
2.2081265449523926
],
[
2.013421058654785
],
[
2.0532660484313965
],
[
2.1872479915618896
],
[
2.2056775093078613
],
[
2.0953502655029297
],
[
2.1659417152404785
],
[
2.0532660484313965
],
[
2.042614459991455
],
[
2.0655322074890137
],
[
2.0953502655029297
],
[
2.1560444831848145
],
[
2.0655322074890137
],
[
2.040832757949829
],
[
2.1560444831848145
],
[
2.1659417152404785
],
[
2.1872479915618896
],
[
2.042614459991455
],
[
2.040832757949829
],
[
2.0613443851470947
],
[
2.013421058654785
],
[
2.0985641479492188
],
[
2.097872734069824
],
[
2.068507671356201
],
[
2.085477590560913
],
[
2.105886936187744
],
[
2.0985641479492188
],
[
2.025949001312256
],
[
2.079505681991577
],
[
2.105886936187744
],
[
2.134337902069092
],
[
2.0987300872802734
],
[
2.025949001312256
],
[
2.1775741577148438
],
[
2.079505681991577
],
[
2.1775741577148438
],
[
1.8788784742355347
],
[
1.8829448223114014
],
[
1.8082877397537231
],
[
2.097872734069824
],
[
2.134337902069092
],
[
2.0500595569610596
],
[
2.0579936504364014
],
[
2.0174825191497803
],
[
1.8788784742355347
],
[
2.095306873321533
],
[
1.8663386106491089
],
[
1.8829448223114014
],
[
2.095306873321533
],
[
1.9110993146896362
],
[
1.8082877397537231
],
[
1.8663386106491089
],
[
1.9110993146896362
],
[
1.8134351968765259
],
[
1.8390588760375977
],
[
2.0579936504364014
],
[
1.8912298679351807
],
[
1.7829798460006714
],
[
1.8134351968765259
],
[
1.8024568557739258
],
[
1.7829798460006714
],
[
1.8390588760375977
],
[
2.0174825191497803
],
[
1.8912298679351807
],
[
1.8024568557739258
],
[
2.1287336349487305
],
[
2.085477590560913
],
[
2.0987300872802734
],
[
2.0500595569610596
]
] |
[
[
0,
1,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
15,
17,
18,
19,
19,
20,
20,
21,
21,
22,
14,
23,
8,
3,
23,
9,
22,
18
],
[
1,
0,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
15,
19,
18,
20,
19,
21,
20,
22,
21,
23,
14,
3,
8,
9,
23,
18,
22
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
2,
2,
2,
2,
2,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
4,
4,
4,
4,
4,
3
] |
[
[
2,
39,
3,
4,
5,
6,
7,
8,
9,
10,
38,
11,
12,
41,
13,
14,
15,
16,
16,
17,
20,
20,
19,
19,
21,
21,
22,
22,
36,
23,
23,
25,
25,
27,
27,
28,
43,
29,
30,
31,
32,
33,
34,
42,
35,
40,
37,
37
],
[
4,
11,
39,
6,
3,
8,
5,
10,
7,
38,
2,
9,
14,
37,
41,
16,
13,
18,
20,
15,
22,
36,
17,
20,
17,
18,
24,
26,
40,
21,
36,
23,
26,
23,
24,
30,
35,
43,
32,
29,
34,
31,
42,
28,
33,
12,
21,
22
]
] |
[
[
2.0953502655029297
],
[
2.1659417152404785
],
[
2.042614459991455
],
[
2.0655322074890137
],
[
2.0953502655029297
],
[
2.1560444831848145
],
[
2.0655322074890137
],
[
2.040832757949829
],
[
2.1560444831848145
],
[
2.1659417152404785
],
[
2.042614459991455
],
[
2.040832757949829
],
[
2.0985641479492188
],
[
2.097872734069824
],
[
2.085477590560913
],
[
2.105886936187744
],
[
2.0985641479492188
],
[
2.025949001312256
],
[
2.079505681991577
],
[
2.105886936187744
],
[
2.134337902069092
],
[
2.0987300872802734
],
[
2.025949001312256
],
[
2.1775741577148438
],
[
2.079505681991577
],
[
2.1775741577148438
],
[
1.8788784742355347
],
[
1.8829448223114014
],
[
2.097872734069824
],
[
2.134337902069092
],
[
2.0500595569610596
],
[
1.8788784742355347
],
[
2.095306873321533
],
[
1.8829448223114014
],
[
2.095306873321533
],
[
1.8134351968765259
],
[
1.8390588760375977
],
[
1.8912298679351807
],
[
1.7829798460006714
],
[
1.8134351968765259
],
[
1.8024568557739258
],
[
1.7829798460006714
],
[
1.8390588760375977
],
[
1.8912298679351807
],
[
1.8024568557739258
],
[
2.085477590560913
],
[
2.0987300872802734
],
[
2.0500595569610596
]
] |
O=C(Nc1cccnc1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1
|
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
4,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
15,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
26,
29,
29,
30,
22,
31,
31,
32,
32,
33,
33,
34,
34,
35,
35,
36,
34,
37,
37,
38,
38,
39,
39,
40,
38,
41,
41,
42,
42,
43,
42,
44,
44,
45,
11,
7,
42,
14,
21,
16,
44,
22,
30,
23,
41,
32
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
6,
4,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
15,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
26,
30,
29,
31,
22,
32,
31,
33,
32,
34,
33,
35,
34,
36,
35,
37,
34,
38,
37,
39,
38,
40,
39,
41,
38,
42,
41,
43,
42,
44,
42,
45,
44,
7,
11,
14,
42,
16,
21,
22,
44,
23,
30,
32,
41
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
]
] |
[
[
0,
2,
2,
3,
6,
6,
5,
5,
7,
7,
10,
9,
9,
11,
11,
12,
12,
13,
14,
91,
91,
15,
15,
16,
17,
18,
19,
20,
20,
90,
90,
21,
22,
22,
23,
23,
26,
26,
25,
25,
27,
27,
28,
28,
93,
93,
93,
29,
29,
30,
30,
42,
42,
42,
31,
31,
32,
95,
33,
33,
34,
35,
36,
37,
38,
39,
40,
94,
94,
41,
43,
43,
44,
44,
60,
97,
97,
45,
45,
45,
46,
99,
47,
47,
48,
49,
50,
50,
51,
52,
56,
53,
53,
55,
57,
57,
58,
98,
98,
59,
61,
61,
61,
62,
62,
63,
64,
101,
101,
65,
65,
66,
66,
67,
68,
72,
69,
69,
71,
73,
73,
74,
74,
75,
76,
80,
80,
77,
77,
79,
100,
100,
81,
81,
82,
82,
82,
92,
92,
83,
83,
86,
86,
85,
85,
85,
96,
96,
96,
87,
87,
87,
89,
89
],
[
2,
4,
6,
1,
8,
10,
3,
6,
3,
4,
12,
7,
10,
7,
8,
14,
91,
11,
16,
21,
22,
13,
91,
18,
15,
20,
17,
90,
22,
13,
14,
19,
24,
26,
90,
21,
28,
93,
23,
26,
23,
24,
30,
42,
83,
84,
86,
27,
93,
32,
95,
44,
60,
97,
29,
42,
34,
41,
31,
95,
36,
33,
38,
35,
40,
37,
94,
31,
32,
39,
29,
30,
46,
99,
62,
87,
88,
43,
60,
97,
48,
59,
45,
99,
50,
47,
52,
56,
49,
54,
58,
51,
56,
53,
51,
52,
98,
45,
46,
57,
43,
44,
97,
64,
101,
61,
66,
81,
82,
63,
101,
68,
72,
65,
70,
74,
67,
72,
69,
67,
68,
76,
80,
73,
78,
100,
82,
75,
80,
77,
63,
64,
75,
76,
92,
84,
86,
27,
28,
100,
81,
96,
88,
92,
83,
86,
43,
44,
60,
92,
83,
84,
96,
87
]
] |
[
[
2.003728151321411
],
[
1.9546936750411987
],
[
1.9423935413360596
],
[
2.003728151321411
],
[
2.152853488922119
],
[
1.9818016290664673
],
[
1.9546936750411987
],
[
1.9400150775909424
],
[
1.9423935413360596
],
[
1.9400150775909424
],
[
2.101500988006592
],
[
2.152853488922119
],
[
2.1482455730438232
],
[
1.9818016290664673
],
[
2.1482455730438232
],
[
1.9601383209228516
],
[
1.8913359642028809
],
[
2.101500988006592
],
[
1.7959142923355103
],
[
1.9381258487701416
],
[
2.1060783863067627
],
[
1.9601383209228516
],
[
1.8153517246246338
],
[
1.7841506004333496
],
[
1.7959142923355103
],
[
1.8284728527069092
],
[
1.7841506004333496
],
[
1.9381258487701416
],
[
2.2045741081237793
],
[
1.8913359642028809
],
[
1.8153517246246338
],
[
1.8284728527069092
],
[
2.112830400466919
],
[
2.0515940189361572
],
[
2.1060783863067627
],
[
2.2045741081237793
],
[
1.9646222591400146
],
[
1.974700927734375
],
[
2.112830400466919
],
[
2.1177568435668945
],
[
2.0515940189361572
],
[
2.1177568435668945
],
[
1.8982574939727783
],
[
1.8159511089324951
],
[
1.9845476150512695
],
[
1.9368599653244019
],
[
1.766084909439087
],
[
1.9646222591400146
],
[
1.8278677463531494
],
[
2.1516849994659424
],
[
2.068552017211914
],
[
2.0360894203186035
],
[
1.879304051399231
],
[
1.8235461711883545
],
[
1.8982574939727783
],
[
2.1201257705688477
],
[
2.107787847518921
],
[
2.1131606101989746
],
[
2.1516849994659424
],
[
2.061616897583008
],
[
2.0993213653564453
],
[
2.107787847518921
],
[
2.0899744033813477
],
[
2.0993213653564453
],
[
2.0942487716674805
],
[
2.0899744033813477
],
[
2.1131606101989746
],
[
2.068552017211914
],
[
2.061616897583008
],
[
2.0942487716674805
],
[
1.8159511089324951
],
[
2.1201257705688477
],
[
2.090806007385254
],
[
2.1436119079589844
],
[
2.0541839599609375
],
[
1.7372336387634277
],
[
2.011526584625244
],
[
2.0360894203186035
],
[
1.7833497524261475
],
[
2.053562641143799
],
[
2.1223039627075195
],
[
2.1127734184265137
],
[
2.090806007385254
],
[
2.047982692718506
],
[
2.0981087684631348
],
[
2.1223039627075195
],
[
2.202211856842041
],
[
2.076018810272217
],
[
2.0981087684631348
],
[
2.038508415222168
],
[
2.108809471130371
],
[
2.202211856842041
],
[
2.0049262046813965
],
[
2.038508415222168
],
[
2.076018810272217
],
[
2.0049262046813965
],
[
2.1127734184265137
],
[
2.1436119079589844
],
[
2.047982692718506
],
[
2.108809471130371
],
[
1.879304051399231
],
[
1.7833497524261475
],
[
1.877253770828247
],
[
2.022313356399536
],
[
2.144284725189209
],
[
2.0541839599609375
],
[
2.0992751121520996
],
[
2.0669972896575928
],
[
2.034447193145752
],
[
2.022313356399536
],
[
2.1165614128112793
],
[
1.999636173248291
],
[
2.0825867652893066
],
[
2.0992751121520996
],
[
2.0507099628448486
],
[
2.10591983795166
],
[
1.999636173248291
],
[
2.2009329795837402
],
[
2.0507099628448486
],
[
2.0825867652893066
],
[
2.2009329795837402
],
[
2.161604642868042
],
[
2.094925880432129
],
[
2.10591983795166
],
[
2.0400164127349854
],
[
2.0669972896575928
],
[
2.1814076900482178
],
[
2.161604642868042
],
[
2.02651309967041
],
[
2.0400164127349854
],
[
2.144284725189209
],
[
2.1165614128112793
],
[
2.094925880432129
],
[
2.02651309967041
],
[
1.9845476150512695
],
[
2.015087604522705
],
[
1.8748458623886108
],
[
1.974700927734375
],
[
1.8278677463531494
],
[
2.034447193145752
],
[
2.1814076900482178
],
[
1.7372336387634277
],
[
1.9068033695220947
],
[
1.9368599653244019
],
[
2.015087604522705
],
[
1.863455891609192
],
[
1.8235461711883545
],
[
2.053562641143799
],
[
1.877253770828247
],
[
1.766084909439087
],
[
1.8748458623886108
],
[
1.863455891609192
],
[
2.011526584625244
],
[
1.9068033695220947
]
] |
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
7,
8,
8,
9,
9,
10,
10,
11,
12,
13,
14,
15,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
15,
22,
23,
24,
24,
25,
25,
26,
27,
28,
26,
29,
29,
30,
22,
31,
31,
32,
32,
33,
33,
34,
35,
36,
34,
37,
37,
38,
39,
40,
38,
41,
41,
42,
42,
43,
42,
44,
44,
45,
11,
7,
42,
14,
21,
16,
44,
22,
30,
23,
41,
32
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
8,
7,
9,
8,
10,
9,
11,
10,
13,
12,
15,
14,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
15,
24,
23,
25,
24,
26,
25,
28,
27,
29,
26,
30,
29,
31,
22,
32,
31,
33,
32,
34,
33,
36,
35,
37,
34,
38,
37,
40,
39,
41,
38,
42,
41,
43,
42,
44,
42,
45,
44,
7,
11,
14,
42,
16,
21,
22,
44,
23,
30,
32,
41
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
1,
2,
2,
2,
2,
2,
3,
3,
4,
4,
5,
5,
5,
5,
5,
5,
4,
6,
6,
6,
6,
7,
7,
6,
6,
4,
4,
4,
4,
8,
8,
4,
4,
9,
9,
4,
4,
4,
4,
4
] |
[
[
0,
2,
2,
3,
6,
5,
5,
7,
7,
9,
10,
73,
11,
12,
13,
14,
15,
16,
72,
17,
20,
75,
75,
75,
21,
32,
32,
22,
77,
23,
24,
25,
26,
27,
28,
29,
30,
76,
31,
33,
46,
79,
79,
34,
81,
35,
36,
37,
38,
39,
42,
43,
44,
80,
45,
47,
47,
48,
48,
49,
50,
83,
83,
51,
51,
52,
53,
56,
57,
58,
59,
62,
62,
82,
82,
63,
64,
64,
64,
74,
65,
65,
68,
68,
67,
67,
67,
78,
78,
69,
69,
69,
71,
71
],
[
2,
4,
6,
1,
8,
3,
6,
3,
4,
7,
12,
17,
73,
14,
11,
16,
13,
72,
10,
15,
32,
65,
66,
68,
75,
46,
79,
24,
31,
77,
26,
23,
28,
25,
30,
27,
76,
22,
29,
21,
48,
69,
70,
36,
45,
81,
38,
35,
42,
37,
44,
39,
80,
34,
43,
33,
79,
50,
83,
47,
52,
63,
64,
49,
83,
56,
51,
58,
53,
62,
57,
82,
64,
49,
50,
59,
74,
66,
68,
20,
82,
63,
78,
70,
74,
65,
68,
33,
46,
74,
65,
66,
78,
69
]
] |
[
[
2.003728151321411
],
[
1.9546936750411987
],
[
1.9423935413360596
],
[
2.003728151321411
],
[
2.152853488922119
],
[
1.9546936750411987
],
[
1.9400150775909424
],
[
1.9423935413360596
],
[
1.9400150775909424
],
[
2.152853488922119
],
[
1.7959142923355103
],
[
1.9381258487701416
],
[
1.8153517246246338
],
[
1.7841506004333496
],
[
1.7959142923355103
],
[
1.8284728527069092
],
[
1.7841506004333496
],
[
1.9381258487701416
],
[
1.8153517246246338
],
[
1.8284728527069092
],
[
1.8159511089324951
],
[
1.9845476150512695
],
[
1.9368599653244019
],
[
1.766084909439087
],
[
1.8278677463531494
],
[
1.879304051399231
],
[
1.8235461711883545
],
[
2.107787847518921
],
[
2.1131606101989746
],
[
2.061616897583008
],
[
2.0993213653564453
],
[
2.107787847518921
],
[
2.0899744033813477
],
[
2.0993213653564453
],
[
2.0942487716674805
],
[
2.0899744033813477
],
[
2.1131606101989746
],
[
2.061616897583008
],
[
2.0942487716674805
],
[
1.8159511089324951
],
[
2.0541839599609375
],
[
1.7372336387634277
],
[
2.011526584625244
],
[
2.1223039627075195
],
[
2.1127734184265137
],
[
2.047982692718506
],
[
2.0981087684631348
],
[
2.1223039627075195
],
[
2.076018810272217
],
[
2.0981087684631348
],
[
2.108809471130371
],
[
2.076018810272217
],
[
2.1127734184265137
],
[
2.047982692718506
],
[
2.108809471130371
],
[
1.879304051399231
],
[
1.877253770828247
],
[
2.022313356399536
],
[
2.144284725189209
],
[
2.0541839599609375
],
[
2.0992751121520996
],
[
2.0669972896575928
],
[
2.034447193145752
],
[
2.022313356399536
],
[
2.1165614128112793
],
[
2.0825867652893066
],
[
2.0992751121520996
],
[
2.10591983795166
],
[
2.0825867652893066
],
[
2.094925880432129
],
[
2.10591983795166
],
[
2.0669972896575928
],
[
2.1814076900482178
],
[
2.144284725189209
],
[
2.1165614128112793
],
[
2.094925880432129
],
[
1.9845476150512695
],
[
2.015087604522705
],
[
1.8748458623886108
],
[
1.8278677463531494
],
[
2.034447193145752
],
[
2.1814076900482178
],
[
1.7372336387634277
],
[
1.9068033695220947
],
[
1.9368599653244019
],
[
2.015087604522705
],
[
1.863455891609192
],
[
1.8235461711883545
],
[
1.877253770828247
],
[
1.766084909439087
],
[
1.8748458623886108
],
[
1.863455891609192
],
[
2.011526584625244
],
[
1.9068033695220947
]
] |
CCC(C)C(=O)NC1CCCN1C(=O)C1C(c2ccccc2)C2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3C1(O)C2O
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.