Datasets:
HoangHa
/
belka-selfies-train-cls-ft-ids

Dataset card Viewer Files Community
1
SELFIES
stringlengths
139
644
BRD4
int64
0
1
HSA
int64
0
1
sEH
int64
0
1
input_ids
sequencelengths
7
46
token_type_ids
sequencelengths
7
46
attention_mask
sequencelengths
7
46
labels
sequencelengths
3
3
length
int64
7
46
[O][=C][Branch2][Branch1][Branch1][C][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=N][C][Branch1][N][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][Branch2][N][Dy]
0
0
0
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[C][#C][C][C@@][Branch1][C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][=N][N][C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][=C][N][C][C][=C][C][=Branch1][C][=O][N][=C][NH1][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
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[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Branch1][=C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=N][C][Branch2][Ring1][O][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring2][Ring1][=N][NH1][Ring2][Ring2][=Branch2]
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16
[O][=C][Branch2][Branch1][Branch2][C][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][P][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1][N][Dy]
0
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[ 0, 0, 0 ]
19
[C][S][C][=C][C][=C][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch1][#C][N][C][C][C][Branch1][C][O][C][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][N][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][P][C][=C][Ring2][Ring2][=Branch2][C][#N]
0
0
0
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[ 0, 0, 0 ]
17
[C][O][C][=C][C][=C][Branch2][=Branch1][Branch1][C][Branch2][Branch1][=Branch2][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][=N][C][Branch1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][=N][Ring2][Ring1][S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring2][#C][O][C]
0
0
0
[ 2, 2180, 1284, 2378, 1598, 1303, 1368, 1448, 1641, 1378, 2786, 1424, 1467, 1327, 438, 1294, 3 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
17
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Branch1][O][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring2][C][=C][Ring2][Ring2][O]
0
0
0
[ 2, 1334, 1360, 1704, 1820, 2810, 1484, 1634, 1407, 1357, 1863, 1322, 1327, 429, 3 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[O][=C][Branch1][Ring1][N][Dy][C][Branch2][Branch1][=N][N][C][=N][C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C][=N][C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring2][Ring1][C][C][C][Ring2][Ring2][Branch2]
0
0
0
[ 2, 2668, 1311, 424, 435, 420, 1861, 2187, 1931, 422, 1331, 1623, 1274, 422, 1318, 2146, 2503, 2104, 1637, 1490, 1313, 2195, 3 ]
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[ 0, 0, 0 ]
23
[C][C][=N][C][=C][N][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][N][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring2][N][C][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][O][=N][Ring2][Ring1][#C]
0
0
0
[ 2, 1274, 2317, 425, 1522, 2500, 1323, 2068, 2580, 1407, 1547, 1419, 1394, 3 ]
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[ 0, 0, 0 ]
14
[C][#C][C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][N][N][C][C][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
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[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
11
[N][#C][C][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][Ring1][#Branch2][=N][Ring2][Ring1][=N][=C][C][=C][Ring2][Ring2][Ring2][Cl]
0
0
0
[ 2, 424, 438, 1293, 1458, 1366, 2717, 2391, 1368, 1465, 1411, 1882, 427, 437, 3 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[C][O][C][Branch2][Ring2][O][C][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=N][Ring1][Branch2][=N][C][Branch1][#C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1][C][C][C][O][C][Ring1][Branch1]
0
0
0
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[ 0, 0, 0 ]
14
[C][=C][C][O][C][C][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C@@H1][O][C][C][N][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P]
0
0
0
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
18
[O][=C][Branch1][Ring1][N][Dy][C@H1][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][N][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][NH1][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=N][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][Ring2]
0
0
0
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
20
[O][=C][Branch1][Ring1][N][Dy][C][=C][Branch1][C][F][C][=C][C][Branch2][Ring1][P][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N][F]
0
0
0
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
20
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][O][Ring2][Ring2][Ring1]
0
0
0
[ 2, 1633, 1332, 1278, 1399, 2321, 1374, 2434, 1779, 1480, 429, 1995, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
13
[O][=C][Branch2][Branch1][Ring2][N][C][C][N][C][=N][C][Branch1][#C][N][C][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][=N][C][Branch2][Ring1][Ring2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C@@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
0
0
0
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C]
0
0
0
[ 2, 1365, 2404, 2319, 2359, 1751, 2312, 421, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
9
[C][O][C][=C][N][=C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][C][N][C][C][C][Ring1][Ring2][=N][C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][=C][=N][Ring2][Ring2][Branch1]
0
0
0
[ 2, 2630, 1459, 1374, 1527, 2696, 1484, 1634, 1407, 1357, 1863, 1379, 1652, 3 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
14
[C][C][=C][C][Branch1][C][Br][=C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][S][N][C][=C][N][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][Ring1]
0
0
0
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[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
11
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][#C][N][C][C][N][C][C][S][=Branch1][C][=O][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=N][=N][Ring2][Ring1][=C]
0
0
0
[ 2, 1508, 1687, 1489, 1285, 1391, 1520, 1484, 1303, 1368, 1497, 1278, 429, 1641, 1379, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[C][N][C][=Branch1][C][=O][C][C][=C][C][Branch2][=Branch1][Ring2][C][N][C][=N][C][Branch2][Ring1][P][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][=Branch1][=C][C][=C][Ring2][Ring2][=C][Ring2][Branch1][C]
0
0
0
[ 2, 420, 1387, 1349, 2196, 420, 2001, 2874, 1766, 1284, 451, 421, 1325, 1290, 1690, 1882, 421, 427, 1284, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
20
[O][=C][Branch2][Branch1][=Branch2][C][C@@H1][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][#C][N][C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br][=N][C][Branch1][=N][N][C][=N][C][=N][C][=Branch1][C][=O][NH1][Ring1][#Branch1][=N][Ring2][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Dy]
0
0
0
[ 2, 2668, 1510, 1713, 1626, 1364, 3012, 1409, 2106, 2421, 1403, 1473, 1309, 1430, 424, 435, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
17
[O][=C][Branch2][Branch1][#Branch2][C][C@@H1][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][#Branch2][N][C][C][=N][C][=C][NH1][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch2][=N][Ring2][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Dy]
0
0
0
[ 2, 2668, 1538, 1713, 1573, 2516, 2147, 1371, 1338, 3022, 1403, 1473, 1309, 1430, 424, 435, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
17
[C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch1][N][N][C][C][C@@H1][C][O][C][C@H1][Ring1][Branch1][O][=N][C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring2][Branch2][O][C]
0
0
0
[ 2, 1334, 2395, 2602, 2223, 429, 1484, 1518, 1407, 1357, 1869, 2020, 1288, 1877, 1294, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[C][C][=C][C][=C][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][F][=N][Ring2][Ring1][#C][N][=C][Ring2][Ring2][#Branch1][C]
0
0
0
[ 2, 1357, 2465, 1894, 1663, 1290, 1378, 2925, 1394, 1611, 431, 420, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
13
[C][C][Branch1][C][C][C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch1][S][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][=N][C][Branch2][Ring1][Branch2][N][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][C][C][Ring1][=N][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1890, 1516, 2301, 2244, 1466, 1711, 1660, 1869, 1399, 1724, 1813, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
13
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Branch1][S][N][C][=N][C][Branch1][P][N][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][Branch2][=N][C][Branch2][Ring1][P][N][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][Branch1][C][C][C][=N][Ring2][Ring2][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring2][Ring2][N]
0
0
0
[ 2, 2075, 2150, 1909, 2144, 1548, 1688, 1874, 2135, 1506, 1410, 1332, 1597, 2076, 1300, 424, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
17
[C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][C][Branch1][C][Cl][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N][=N][Ring2][Ring1][=C]
0
0
0
[ 2, 1818, 1354, 2444, 1311, 420, 430, 2188, 1465, 2554, 1515, 1989, 1379, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
14
[C][O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=N][C][Branch1][N][N][C][C][O][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][=N][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring1]
0
0
0
[ 2, 2311, 2284, 1502, 1434, 2684, 1921, 1312, 1641, 1408, 1342, 1448, 1479, 2585, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][Br][=C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][=O][=N][Ring2][Ring1][N][C][Branch1][C][Br][=C][Ring2][Ring2][Branch1]
0
0
0
[ 2, 2668, 1311, 424, 435, 1293, 1469, 1493, 1770, 2972, 2449, 1983, 1814, 1323, 1897, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[C][C][=C][N][=C][Branch1][C][O][C][Branch2][Branch1][O][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch2][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Branch1][C][Cl][C][Branch1][C][Br][=C][Ring1][N][F][=N][Ring2][Ring1][S][=C][Ring2][Ring2][Branch2]
0
0
0
[ 2, 2143, 1488, 1704, 1359, 1664, 1307, 2257, 1484, 1318, 1302, 1275, 1501, 1323, 1472, 432, 1424, 1877, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
19
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][#Branch2]
0
0
0
[ 2, 1755, 440, 1407, 2474, 2277, 1675, 2160, 2376, 1355, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
11
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][C][N][C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][=N][C][Branch1][#C][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][S]
0
0
0
[ 2, 2668, 1311, 424, 435, 1293, 2661, 1568, 2116, 1276, 1576, 1983, 1765, 2152, 1461, 1381, 1424, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
18
[C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][N][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][Br][=N][Ring2][Ring1][S]
0
0
0
[ 2, 2035, 2384, 1648, 1770, 1326, 2112, 1888, 1418, 1323, 1275, 1657, 443, 1424, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[C][=C][C][C@H1][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O][=N][C][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1801, 439, 2657, 2238, 1376, 2511, 2126, 1675, 1507, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
11
[C][N][C][=C][Branch2][Ring2][O][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=N][C][Branch1][#C][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][C][=O]
0
0
0
[ 2, 420, 1318, 1304, 1294, 1912, 1515, 437, 1383, 1338, 441, 1372, 1287, 1375, 1499, 1373, 2445, 430, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
19
[C][O][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][=N][Ring2][Ring2][C]
0
0
0
[ 2, 1643, 1576, 2669, 1722, 1540, 1308, 1641, 1408, 1342, 1302, 1369, 1499, 429, 1597, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][C][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][S][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
0
0
0
[ 2, 2668, 1311, 424, 435, 1473, 1500, 1354, 2349, 1917, 1755, 1409, 2805, 2452, 1499, 429, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
17
[C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=C][S][C][=Ring1][Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2]
0
0
0
[ 2, 1822, 2551, 1682, 1408, 1635, 1962, 1837, 1372, 1819, 1344, 1375, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
13
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][C][Branch2][Ring1][C][N][C][=N][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=N][Ring2][Ring1][P]
0
0
0
[ 2, 2668, 1311, 424, 435, 1286, 1514, 1358, 1401, 2241, 2508, 2342, 2613, 1439, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=N][Ring1][O][=N][C][Branch2][Ring1][#Branch2][N][C@@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring1][NH1][N][=Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1508, 1319, 1789, 2272, 2238, 1305, 2145, 1512, 1697, 1678, 2587, 1399, 1372, 1287, 1490, 442, 2296, 434, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
20
[C][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][S][N][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][O]
0
0
0
[ 2, 1274, 1433, 1414, 2708, 2063, 1803, 428, 1544, 1593, 432, 1356, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
13
[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][NH1][Ring2][Ring2][Branch1]
0
0
0
[ 2, 1994, 1538, 1354, 1614, 2353, 2115, 438, 442, 2082, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
11
[C][C][C][C][C][Branch2][Ring2][S][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1547, 1491, 1354, 1906, 1707, 1973, 1351, 1563, 1323, 1417, 1485, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
13
[C][C][=C][C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=N][N][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=N][NH1][Ring2][Ring1][S]
0
0
0
[ 2, 1349, 1514, 2608, 2340, 1361, 1518, 1326, 1319, 1337, 425, 1463, 1287, 1355, 1618, 1413, 433, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
18
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Branch1][C][N][C][=N][C][Branch1][S][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][N][Ring1][=Branch2][C][C][O][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][Branch1]
0
0
0
[ 2, 420, 1391, 1280, 1473, 1481, 1685, 2899, 1802, 1368, 1385, 1343, 1475, 1379, 1897, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[C][C][=C][N][Branch2][=Branch1][O][C][=C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][=N][C][Branch1][P][N][C@@H1][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][#C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring2][#Branch2][C][=N][Ring2][Ring2][#C]
0
0
0
[ 2, 1319, 424, 1487, 429, 1293, 1493, 1454, 1342, 1835, 1791, 1378, 1518, 1274, 2076, 1343, 1394, 2059, 1328, 2415, 1322, 438, 3 ]
[ 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, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
23
[C][O][C][=C][C][=C][C][Branch2][Branch1][O][N][C][=N][C][Branch1][#C][N][C][C][Branch1][C][C][C][N][C][=C][C][=N][Ring1][Branch1][=N][C][Branch2][Ring1][=C][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][N][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][=C][Ring2][Ring2][Branch2][F]
0
0
0
[ 2, 1474, 1704, 1489, 1332, 1317, 1577, 1734, 1439, 1877, 432, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
12
[C][C][=C][N][=C][Branch2][Ring2][S][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][#Branch2][=N][C][Branch1][=C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][C][=N][Ring2][Ring1][P]
0
0
0
[ 2, 2143, 1491, 1354, 1614, 2353, 2569, 1463, 1287, 2613, 1439, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
12
[C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][#C][N][C][C][=C][N][=C][Branch1][Ring1][O][C][C][=N][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N]
0
0
0
[ 2, 2401, 1464, 1364, 1615, 2373, 1418, 1309, 2520, 1625, 1339, 425, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
13
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][P][N][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][O][Ring1][Branch2][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][Ring1]
0
0
0
[ 2, 1755, 1275, 1337, 1449, 2136, 1691, 2566, 429, 1329, 1671, 1452, 441, 1343, 1339, 425, 1490, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
18
[C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Ring2][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=C][S][C][=Ring1][Branch1][=N][C][Branch1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][=N][Ring2][Ring1][Branch1][=C][Ring2][Ring1][S][C]
0
0
0
[ 2, 1852, 1304, 420, 2551, 1682, 1476, 1434, 1808, 2127, 1551, 1337, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
13
[C][O][C][=C][N][=C][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][=N][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=N][Ring1][Branch2][=N][Ring2][Ring1][=N][C][=N][Ring2][Ring2][Branch1]
0
0
0
[ 2, 2392, 2375, 1598, 2243, 1302, 1641, 1862, 1323, 1384, 1435, 1460, 1652, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
14
[C][C][O][C][=C][C][=C][Branch2][=Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][=N][C][Branch2][Ring1][O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][O][C][Branch1][C][C][C][Ring2][Ring2][N]
0
0
0
[ 2, 1475, 1286, 1487, 1274, 1295, 1277, 1849, 2252, 1656, 1697, 2030, 1448, 1568, 1290, 1322, 1330, 1332, 1300, 424, 3 ]
[ 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, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
21
[C][O][C][=C][C][Branch2][Ring2][N][N][C][=N][C][Branch1][#Branch2][N][C][=Branch1][C][=N][C][C][C][N][=N][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][P]
0
0
0
[ 2, 1423, 1549, 1445, 3009, 2283, 436, 1305, 1439, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
10
[C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][=N][N][C][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][=C][Ring1][S][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2]
0
0
0
[ 2, 2361, 1522, 2159, 1794, 421, 1495, 1869, 2644, 2459, 1361, 1518, 1326, 1357, 433, 1463, 1287, 1536, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
19
[C][C][=C][S][C][Branch2][Branch1][C][N][C][=N][C][Branch1][P][N][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][=N][Ring2][Ring2][C]
0
0
0
[ 2, 1319, 1337, 1481, 2458, 2837, 2572, 1323, 1430, 1339, 424, 1597, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
13
[O][=C][Branch2][Branch1][N][C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Ring1][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][N][Dy]
0
0
0
[ 2, 2668, 1306, 1498, 423, 2029, 1323, 1325, 2578, 1575, 2666, 2908, 1403, 424, 435, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[C][O][C][=N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][N][C][=N][C][Branch2][Ring1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][=N][C][Branch1][=N][N][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][=N][Ring2][Ring2][C]
0
0
0
[ 2, 1709, 2001, 1401, 2067, 1427, 1336, 1278, 1521, 1274, 2057, 1409, 1338, 2832, 1597, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[C][O][C][=C][C][=C][C][Branch2][Branch1][N][N][C][=N][C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][C][Branch2][Ring1][#C][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring2][C][=N][Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1474, 1789, 1364, 1936, 442, 1343, 2287, 1518, 1407, 1357, 1468, 1346, 1597, 2011, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[C][C][C][Branch1][C][C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][#Branch2][N][C][C][N][C][Branch1][C][N][=O][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=N][Ring1][Branch2][=N][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1620, 1772, 1778, 2849, 1386, 1750, 2149, 1854, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
10
[C][C][=N][N][=C][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=N][C][Branch1][=C][N][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][#Branch2][S][Ring2][Ring1][S]
0
0
0
[ 2, 1274, 1757, 1514, 1341, 1342, 1302, 1369, 2400, 2450, 1355, 433, 1413, 433, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][=C][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][Br][=N][C][Branch1][#C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][F]
0
0
0
[ 2, 420, 1787, 1573, 1358, 2398, 2294, 1383, 1279, 1302, 1520, 1447, 1720, 421, 432, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[O][=C][Branch2][Branch1][Branch1][N][C][C][C][N][C][=N][C][Branch1][#C][N][C][C][C][C][Ring1][Ring1][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
0
0
0
[ 2, 2668, 1493, 1331, 1951, 1583, 1274, 1616, 1671, 1452, 441, 1343, 1339, 1660, 1515, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][N][C][=N][C][Branch1][#C][N][C][C][Branch1][Branch1][O][C][C][O][C][C][C][Ring1][Branch2][=N][C][Branch1][P][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][#N][=N][Ring2][Ring1][#Branch2]
0
0
0
[ 2, 1630, 1489, 423, 2233, 1688, 1689, 1337, 1425, 1517, 431, 1392, 1355, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
14
[O][=C][Branch1][Ring1][N][Dy][C][C][C][C][N][Ring1][Branch1][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][N][=N][Ring2][Ring1][S]
0
0
0
[ 2, 2668, 1311, 424, 435, 1399, 1768, 2580, 1572, 1558, 1523, 1419, 2675, 2976, 1424, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[C][S][C][C][=N][N][=C][Branch2][Branch1][C][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=N][S][C][=Ring1][Branch1][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring1][O][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][NH1][Ring2][Ring2][Ring2]
0
0
0
[ 2, 420, 1666, 1757, 2113, 2389, 425, 1682, 1484, 1317, 1345, 1317, 1577, 421, 1398, 1339, 1618, 1996, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
19
[C][O][C][=C][C][=C][Branch2][Ring2][O][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][O][N][C][C][C][C][C][O][C][Ring1][Branch1][=N][Ring2][Ring1][O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][=Branch1]
0
0
0
[ 2, 1334, 1543, 2479, 2191, 1476, 1540, 1999, 2597, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
10
[C][C][C][C][C][N][=C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][=C][N][C][C][C][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][=C][S][C][=Ring2][Ring2][Branch1][C][Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1547, 1315, 2321, 2078, 2985, 1353, 1518, 1407, 1755, 437, 1379, 1337, 1847, 1284, 2027, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
17
[C][O][C][=N][C][=C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][S][N][C][=N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][Cl][=N][Ring2][Ring1][N][C][=N][Ring2][Ring2][Ring1]
0
0
0
[ 2, 1330, 1433, 1459, 1340, 1401, 1501, 2256, 1353, 1686, 1276, 1302, 1376, 437, 1814, 1490, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
17
[C][C][=C][C][Branch2][Branch1][C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][=C][C][=C][Ring2][Ring2][Ring1][Cl]
0
0
0
[ 2, 1349, 1481, 1358, 1563, 1323, 1417, 1418, 1309, 1567, 1455, 1315, 2561, 437, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][C][Branch1][=N][N][C][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2]
0
0
0
[ 2, 2401, 1464, 1416, 1686, 2163, 1381, 2141, 440, 1557, 1339, 436, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
13
[O][=C][Branch1][C][O][C][=C][C][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][Branch1]
0
0
0
[ 2, 2668, 1511, 1293, 1514, 2161, 2235, 2303, 2344, 1355, 1305, 1426, 423, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
14
[C][C][=N][C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][O][=N][Ring2][Ring1][#C][=C][C][=C][Ring2][Ring2][=Branch1][Cl]
0
0
0
[ 2, 1274, 1276, 1496, 1454, 1830, 2661, 1568, 442, 1410, 1544, 1593, 429, 1394, 1882, 426, 437, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
18
[C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][N][C][=N][C][Branch1][S][N][C][C][Branch1][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][=C]
0
0
0
[ 2, 2528, 1488, 2490, 433, 1377, 1363, 1634, 1407, 1357, 1530, 1379, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
13
[O][=C][Branch1][Ring1][N][Dy][C][=C][N][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Br][=C][N][C][=C][N][=C][Ring1][#Branch2][Ring1][Branch1][=N][Ring2][Ring1][#C][S][Ring2][Ring2][Branch1]
0
0
0
[ 2, 2668, 1311, 424, 435, 1537, 1496, 1624, 3028, 1829, 2425, 1394, 433, 2082, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[C][C][=C][N][=C][Branch2][Ring2][S][C][N][C][=N][C][Branch1][=C][N][C][C][C][C][C][C][Branch1][C][C][O][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][O][Ring2][Ring2][C]
0
0
0
[ 2, 2143, 2405, 2078, 2433, 1361, 1518, 1326, 1357, 433, 1463, 1287, 1356, 429, 2445, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#C]
0
0
0
[ 2, 2668, 1311, 424, 435, 441, 1962, 1399, 2058, 2286, 1307, 1377, 1344, 1361, 1370, 2235, 1394, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
18
[C][O][C][C][=C][C][=C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch2][Ring1][C][N][C][=N][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
0
0
0
[ 2, 2361, 1275, 1483, 1454, 1318, 1309, 1567, 2079, 2508, 1301, 2064, 1379, 2665, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[O][=C][Branch1][Ring1][N][Dy][C][C][C][C][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][C][O][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=N][C][Branch1][P][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][Branch1]
0
0
0
[ 2, 2668, 1311, 424, 435, 1399, 2395, 1947, 2954, 2526, 2764, 1411, 1274, 2082, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[O][=C][Branch2][=Branch1][Ring2][C][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1][=N][C][Branch1][P][N][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][=Branch2][N][Dy]
0
0
0
[ 2, 2668, 2196, 1713, 1283, 427, 1357, 1468, 1346, 1358, 1563, 1323, 1417, 1378, 1540, 2837, 1375, 424, 435, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
20
[C][C][N][=C][Branch2][Branch1][Branch1][C][N][C][=N][C][Branch1][P][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][Br][=N][C][Branch2][Ring1][Branch1][N][C][Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][O][C][=Ring2][Ring2][Branch1][C]
0
0
0
[ 2, 1274, 1315, 2307, 1366, 1303, 2261, 443, 1746, 1379, 1294, 1847, 1284, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
14
[C][C][O][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=N][C][Branch2][Ring1][C][N][C@H1][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch2][=N][Ring2][Ring1][N]
0
0
0
[ 2, 1475, 424, 1311, 1313, 1691, 1341, 1281, 1425, 1325, 1381, 1371, 1634, 2460, 1302, 2232, 1480, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
18
[C][N][C][=C][Branch2][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=N][Ring2][Ring1][S][C][=N][Ring2][Ring2][=N]
0
0
0
[ 2, 420, 1318, 2150, 2112, 1416, 1331, 1787, 1515, 2363, 1546, 2157, 1322, 425, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[C][S][=Branch1][C][=O][C][C][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C]
0
0
0
[ 2, 420, 1391, 1399, 1820, 2810, 1671, 1420, 1455, 438, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
11
[C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][N][C][=N][C][Branch2][Ring1][S][N][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][=Branch1]
0
0
0
[ 2, 2483, 1886, 2187, 1527, 2693, 1773, 1982, 1290, 1690, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
11
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][=N][C][Branch1][P][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1][F]
0
0
0
[ 2, 2668, 1311, 424, 435, 1286, 1481, 1706, 2784, 2526, 2764, 2589, 1995, 432, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
15
[O][=C][Branch2][Branch1][C][C][C@@H1][Branch2][Ring2][C][N][C][=N][C][Branch1][O][N][C][C][O][C][C][Branch1][C][F][F][=N][C][Branch1][#Branch2][N][C][C][=N][C][=C][NH1][Ring1][Branch1][=N][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Dy]
0
0
0
[ 2, 2668, 2113, 440, 1304, 420, 2628, 1350, 1636, 1612, 2147, 2127, 2716, 424, 435, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][=N]
0
0
0
[ 2, 2668, 1311, 424, 435, 440, 423, 433, 1349, 1982, 1997, 2930, 2060, 2229, 1411, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
16
[C][N][C][C][O][C@@H1][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][F][F][=N][C][Branch2][Ring1][Branch2][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=N][Ring2][Ring1][S][C@@H1][Ring2][Ring2][Branch2][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1]
0
0
0
[ 2, 420, 1285, 429, 440, 2465, 1415, 424, 2351, 1350, 1466, 1318, 1302, 1286, 1286, 422, 2037, 1424, 440, 2195, 2081, 3 ]
[ 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, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
22
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch1][=C][N][C][C][Branch1][Ring1][C][O][C][C][O][C][Ring1][#Branch1][=N][C][Branch2][Ring1][O][N][C][C][Branch1][C][O][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][Branch2][C][Ring1][Branch1][C][Ring1][#Branch1][Ring1][N][=N][Ring2][Ring1][=N][C][C][C][C][C][Ring1][Branch1]
0
0
0
[ 2, 2668, 1311, 424, 435, 440, 1483, 2592, 2271, 1656, 2519, 1399, 1528, 1950, 1463, 1312, 1410, 1411, 1547, 1316, 3 ]
[ 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, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
21
[C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][Branch1][Branch1][O][C][C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][O][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][=N][Ring2][Ring1][#C]
0
0
0
[ 2, 2191, 1454, 2916, 1544, 1407, 1398, 1394, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
9
[O][=C][Branch1][Ring1][N][Dy][C@H1][C][C][C@H1][Branch2][Ring2][#C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][S]
0
0
0
[ 2, 2668, 1311, 424, 435, 441, 1274, 1400, 1336, 1359, 1614, 2955, 1409, 1574, 1417, 1403, 1274, 1413, 433, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
20
[C][C][=N][N][=C][Branch2][Branch1][Branch1][N][C][=N][C][Branch1][P][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][Br][=N][Ring2][Ring1][=N][S][Ring2][Ring2][Ring1]
0
0
0
[ 2, 1274, 1757, 1493, 1492, 1284, 1495, 2340, 1418, 1323, 1275, 1657, 443, 1411, 433, 1995, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
17
[C][C][C][=C][C][=C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][S][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=N][C][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1617, 1677, 2301, 2364, 2462, 437, 2573, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
9
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][S][N][C][=N][C][Branch1][C][F][=C][C][Branch1][C][F][=N][Ring1][Branch2][=N][C][Branch2][Ring1][Ring2][N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N]
0
0
0
[ 2, 1621, 1478, 1325, 1340, 1281, 1647, 1301, 1435, 1363, 1279, 1587, 1480, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
14
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][S][N][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][=N][C][Branch1][N][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][#N][=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1613, 1626, 1608, 2153, 1815, 2383, 2942, 1596, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
10
[C][C][C][=C][Branch2][Branch1][=N][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][F][=N][Ring2][Ring2][Ring2][O][N][=Ring2][Ring2][#Branch2]
0
0
0
[ 2, 1274, 1275, 1861, 1502, 1941, 1431, 1357, 1639, 1353, 1574, 1302, 1376, 432, 1536, 429, 2296, 436, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
19
[N][#C][C][C][=N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][=Ring1][O][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=N][C][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C]
0
0
0
[ 2, 424, 1694, 1433, 2125, 2086, 444, 429, 2406, 2835, 1378, 1518, 1297, 1715, 458, 462, 2610, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
18