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HoangHa
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belka-selfies-train-cls-ft-ids

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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][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][N+1][=Branch1][C][=O][O-1]
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[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch2]
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[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][Ring1][#Branch2][Cl][=N][Ring2][Ring1][=C]
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[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][=C][S][Ring1][#C][=N][C][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][Branch1]
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[C][C][=C][C][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][C][O][Ring1][=Branch1][=N][C][Branch2][Ring1][#Branch1][N][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][Ring1][S][=C][C][=C][Ring2][Ring2][Branch2][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
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[C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][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][Branch2][Ring1][Ring2][N][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][N][=C][Ring2][Ring2][Ring2]
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[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=C][N][C][=C][N][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][=N][C][Branch2][Ring1][O][N][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Ring1][O][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C]
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[C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][N][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P]
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[C][N][C][=Branch1][C][=O][C][=C][C][Branch2][=Branch1][C][O][C][=C][C][=C][Branch2][Branch1][Branch1][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][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][S][C][=C][Ring2][Ring2][#Branch1][=C][C][=N][Ring2][Ring2][=C]
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[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][=C][NH1][N][=Ring1][Branch1][=N][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][S][Ring1][=N][=N][Ring2][Ring1][#Branch2]
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[C][O][C][=C][C][Branch2][Branch1][Branch2][C][N][C][=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][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Br][=C][Ring1][#Branch2][=N][Ring2][Ring1][=C][=C][Branch1][C][Br][C][=N][Ring2][Ring2][#Branch1]
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[O][=C][Branch2][=Branch1][#Branch1][C][C@@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch1][P][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C][C@@H1][C][C][O][C@@H1][Ring1][Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][=N][Ring2][Ring1][P][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Dy]
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[O][=C][Branch2][Branch1][Ring1][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][Branch1][P][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][N][N][C][C][C][C][Ring1][Ring2]
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[C][N][C][=C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][Cl][=N][Ring2][Ring1][#Branch2][C][=N][Ring2][Ring1][S]
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[O][=C][Branch2][=Branch1][=Branch2][C][C@@H1][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][=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][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Dy]
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[C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][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@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][#C]
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13
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][O][Ring1][#Branch1][=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][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy]
0
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
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[C][O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][N][C][=N][C][Branch1][S][N][C][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][=N]
0
0
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11
[C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=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][Ring2][Branch1]
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[ 0, 0, 0 ]
16
[C][C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][=Branch2][N][C][C][C][Branch1][C][C][O][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=C]
0
0
0
[ 2, 2200, 1294, 1573, 1599, 1790, 429, 1766, 1469, 1446, 1339, 428, 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
[N][#C][C][=C][C][=C][C][Branch2][Branch1][=C][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][O][=C][Ring2][Ring2][=Branch2]
0
0
0
[ 2, 424, 438, 1473, 1306, 1305, 441, 1407, 1624, 2740, 2518, 432, 1823, 434, 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][O][C][=C][C][=C][Branch2][Branch1][=N][N][C][=N][C][Branch2][Ring1][C][N][C][C][N][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=N][Ring1][Branch2][=N][C][Branch2][Ring1][N][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring2][C][C][Branch1][C][Cl][=C][Ring2][Ring2][#Branch2]
0
0
0
[ 2, 1655, 425, 1415, 1318, 1841, 1410, 1435, 2155, 1318, 1368, 1385, 1343, 1286, 1515, 2527, 1309, 1328, 436, 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][N][C][=Branch1][C][=O][C][C][=C][C][Branch2][Branch1][=Branch2][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][Branch2][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][#C][=C][C][=C][Ring2][Ring2][#Branch1][Ring2][Ring2][O]
0
0
0
[ 2, 420, 1387, 1349, 2378, 2447, 2257, 1408, 1634, 1407, 1473, 1309, 1430, 1394, 1882, 431, 1300, 429, 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][Branch1][C][F][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring2]
0
0
0
[ 2, 1349, 1647, 1491, 1364, 3012, 1361, 1518, 1326, 1357, 429, 1463, 1287, 1821, 427, 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][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][N][C][=N][C][Branch1][#C][N][C][C][C][C][=C][C][=Branch1][C][=O][NH1][NH1][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C]
0
0
0
[ 2, 1763, 425, 1446, 1951, 2862, 1466, 1697, 421, 1357, 1515, 432, 1339, 438, 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][O][C][Branch1][Ring1][O][C][C][C][Branch2][Branch1][=C][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring2][C][C][Ring2][Ring2][#Branch2]
0
0
0
[ 2, 1330, 1360, 420, 1306, 1305, 2374, 2252, 1512, 1317, 1584, 1437, 2527, 2471, 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][=N][O][N][=C][Ring1][Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Br][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][C][Branch1][#C][N][C][=C][C][=C][N][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][Ring2][Ring1][N]
0
0
0
[ 2, 2205, 1523, 2015, 2514, 1323, 1579, 1659, 2998, 1480, 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][=N][N][=C][Branch2][Branch1][Branch1][C][C][C][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][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][N][S][Ring2][Ring2][Branch1]
0
0
0
[ 2, 1274, 1757, 1306, 1332, 2136, 1691, 2566, 429, 1329, 1544, 1593, 432, 1480, 433, 2082, 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][S][C][=C][C][=C][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][O][=N][C][Branch2][Ring1][Branch1][N][C@@H1][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][Branch2][C][#N]
0
0
0
[ 2, 2626, 1286, 2465, 2514, 1872, 1320, 1286, 1344, 429, 1406, 1697, 1307, 1399, 1274, 1372, 1287, 1424, 2140, 1392, 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
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][O]
0
0
0
[ 2, 2668, 1311, 424, 435, 440, 1399, 424, 1372, 2504, 1833, 2772, 2563, 2831, 1356, 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][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][#C][N][C][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][=N][C][Branch1][S][N][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2][=N][Ring2][Ring1][=Branch2]
0
0
0
[ 2, 2668, 1311, 424, 435, 2520, 1525, 1489, 1331, 1530, 1421, 2681, 1494, 1329, 1375, 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][N][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch1][C][Br][C][=C][Ring1][O][C][=N][Ring2][Ring1][S][C][C][Ring2][Ring2][Branch2]
0
0
0
[ 2, 1275, 1313, 2485, 1454, 1563, 2110, 1896, 2086, 2002, 1424, 1274, 2195, 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][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][P][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Ring1][Branch1][=N][C][Branch1][=C][N][C][=N][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][Br][=N][Ring2][Ring1][O][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring2][Ring2][Branch1]
0
0
0
[ 2, 2075, 1549, 1909, 1616, 1399, 1316, 1905, 1494, 2341, 1356, 2076, 2082, 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][C][O][C][=C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][S][N][C][=N][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=N][Ring1][Branch2][=N][C][Branch1][O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 2668, 1511, 1293, 1677, 1340, 2558, 2256, 1476, 2889, 1447, 421, 1720, 2568, 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][N][C][=Branch1][C][=O][C][C@H1][Branch2][Ring2][O][C][N][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][C][Branch1][Ring1][O][C][O][C][=N][C][Branch1][#C][N][C][C][C][C@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][C@H1][Ring2][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1]
0
0
0
[ 2, 1274, 1576, 1400, 1294, 1358, 1790, 1698, 1294, 1383, 1331, 441, 1528, 1287, 1375, 441, 2486, 1558, 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][N][Branch2][Branch1][Branch2][C][=C][C][Branch2][Ring2][N][C][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][S][Branch1][C][C][=O][=N][C][Branch1][P][N][C][C@@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][Branch2][=C][C][=N][Ring2][Ring1][S][C][C][O][Ring2][Ring2][=Branch1]
0
0
0
[ 2, 1715, 1496, 1293, 1304, 1279, 1610, 1488, 1761, 1378, 1498, 1488, 440, 1372, 1287, 1403, 1305, 1424, 1475, 2074, 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][N][=C][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Br][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=N][Ring2][Ring1][P]
0
0
0
[ 2, 2143, 1514, 1849, 1546, 1851, 1323, 1987, 2613, 1439, 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][Branch2][Branch1][#Branch1][N][C][C][C][N][C][=N][C][Branch1][S][N][C][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][C][C][C][Ring1][Ring2]
0
0
0
[ 2, 2668, 1483, 1331, 1685, 2317, 1350, 1406, 1941, 440, 1344, 1339, 438, 2364, 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][N][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][O][N][C][C][N][C][=N][N][=N][Ring1][Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][C][=N][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][=N][Ring2][Ring1][N]
0
0
0
[ 2, 1994, 1414, 1775, 1324, 2245, 1972, 1302, 1337, 1660, 422, 1622, 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
[O][=C][Branch2][Ring2][#Branch1][C][C][N][C][=N][C][Branch1][#Branch1][N][C][C][C][C][F][=N][C][Branch1][P][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
0
0
0
[ 2, 2668, 1772, 1274, 2130, 3001, 1689, 1302, 2538, 1784, 2560, 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
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch2][Ring2][O][N][C][=N][C][Branch1][P][N][C][C][S][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][P][N+1][=Branch1][C][=O][O-1]
0
0
0
[ 2, 2668, 1311, 424, 435, 1293, 1543, 1492, 1391, 1755, 2614, 2371, 1355, 421, 2619, 1381, 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][S][C][=N][C][=C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch1][=N][N][C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=N][C][Branch2][Ring1][O][N][C][C@H1][C][C@H1][Branch1][#C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][NH1][Ring1][Branch2][C][C@H1][Ring1][=N][O][=N][Ring2][Ring1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1747, 1516, 1374, 2763, 1656, 1952, 1674, 423, 1336, 1757, 1497, 1332, 2128, 1674, 422, 1523, 1289, 1570, 2011, 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][O][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][C][N][C][=N][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=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][P]
0
0
0
[ 2, 1475, 1680, 1691, 1341, 2422, 2342, 1484, 1518, 1407, 1357, 1869, 1439, 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][N][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][Branch2][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][Ring2][Ring1][=N]
0
0
0
[ 2, 1633, 1332, 425, 1522, 2447, 2257, 2062, 2003, 1302, 1376, 1411, 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][N][=C][Branch2][Ring2][S][C][C][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][Cl][=N][Ring2][Ring1][#Branch2][S][C][=Ring2][Ring2][C][C]
0
0
0
[ 2, 1274, 1315, 1491, 1274, 2586, 2058, 1766, 1584, 437, 1355, 1337, 1847, 1274, 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][C][Branch2][Ring2][#C][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][Branch1][=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][Ring1][#Branch2][C][C][O][C][C][Ring2][Ring2][C]
0
0
0
[ 2, 1559, 2550, 1445, 2265, 1773, 1982, 1339, 436, 1785, 2445, 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][Branch2][Branch1][=Branch2][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][F][C][=C][C][Branch1][C][Br][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
0
0
0
[ 2, 1313, 2378, 1359, 1764, 1318, 1955, 1418, 1301, 1293, 1323, 1389, 1339, 439, 1495, 1452, 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][=Branch1][C][C@@H1][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][Dy]
0
0
0
[ 2, 2668, 1487, 1277, 440, 1500, 2657, 1986, 1376, 2518, 432, 1356, 1286, 1468, 1346, 424, 435, 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][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][Cl][=C][Ring1][O][=N][Ring2][Ring1][=N][=C][S][Ring2][Ring2][Ring1]
0
0
0
[ 2, 1621, 1449, 1340, 2902, 2062, 1368, 1309, 1376, 1411, 1560, 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
[C][#C][C][O][C][=C][C][=C][Branch2][=Branch1][Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][C][Branch2][Ring2][C][N][C@@H1][Branch2][Ring1][#Branch1][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][C][=C][Ring2][Ring2][#Branch2]
0
0
0
[ 2, 1831, 2180, 1284, 1359, 1614, 2860, 1276, 1304, 420, 1518, 1283, 431, 1319, 1301, 2343, 1301, 2969, 432, 1290, 1322, 1319, 2471, 3 ]
[ 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, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
24
[C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][=Branch1][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][C][Branch2][Ring1][=C][N][C@@H1][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][=N][Ring2][Ring2][Branch2]
0
0
0
[ 2, 2200, 1337, 2320, 2514, 2861, 1606, 1518, 1283, 422, 1349, 2739, 2610, 1865, 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][=C][C][=C][Branch2][Branch1][S][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][N][C][=Branch1][C][=O][S][C][=Branch1][=Branch2][=C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][N][=O][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][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, 2150, 1452, 2102, 1387, 1337, 426, 2654, 1286, 433, 1463, 2228, 1361, 1518, 1326, 1357, 429, 1463, 1287, 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, 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, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
27
[C][C][Branch2][Branch1][C][C][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][=N][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]
0
0
0
[ 2, 1274, 2113, 1340, 2902, 1361, 1634, 1407, 1286, 1530, 1411, 2693, 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][=N][O][N][=C][Ring1][Branch1][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C@H1][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C@@H1][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C]
0
0
0
[ 2, 2205, 1523, 2015, 1598, 2607, 1929, 440, 1329, 1558, 1901, 2610, 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][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch2][Branch1][Branch1][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=Branch2][Cl]
0
0
0
[ 2, 1349, 2661, 1493, 1827, 1405, 1680, 1972, 1497, 1278, 1495, 1343, 1339, 438, 1959, 437, 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][N][Branch2][Branch1][=N][C][=C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][O][N][C][C][S][N][=N][C][=Ring1][Branch1][C][=N][C][Branch1][#C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][P][C][=N][Ring2][Ring2][=Branch1]
0
0
0
[ 2, 1319, 424, 1861, 1293, 1772, 2653, 424, 1276, 1524, 1383, 1279, 1302, 1520, 1784, 2059, 1966, 420, 1690, 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][Branch1][Ring1][N][Dy][C@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][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][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][C][=Branch1][C][=O][NH1][NH1][C][=Branch1][C][=O][C][Ring1][N][=Ring1][Branch2][=N][Ring2][Ring2][C]
0
0
0
[ 2, 2668, 1311, 424, 435, 441, 1297, 2688, 1354, 2349, 1917, 1755, 2012, 2794, 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][C][O][C][=C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][=N][N][C][C][N][C][C][C][O][C][C][Ring1][#Branch1][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][Branch2][=C][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 2668, 1511, 1293, 1772, 1610, 2760, 1409, 1750, 1417, 1403, 421, 1720, 2385, 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][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=N][C][Branch1][=C][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=N][NH1][C][Ring2][Ring2][Ring2][=O]
0
0
0
[ 2, 420, 1279, 2395, 2714, 2066, 2502, 1337, 441, 1463, 1287, 1411, 1836, 1996, 430, 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][C][C][N][C][=N][C][Branch2][Ring1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=N][C][Branch1][P][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2]
0
0
0
[ 2, 1274, 2651, 2001, 1303, 1333, 1285, 2368, 425, 1718, 1290, 1536, 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][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][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][=C][N][=C][N][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1][=N][C][Branch1][Branch2][N][C][C][O][C][Ring1][Ring2][=N][Ring2][Ring1][=Branch2]
0
0
0
[ 2, 1630, 1997, 1326, 1537, 1768, 1578, 1833, 2379, 1557, 1375, 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][O][C][C@H1][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][=C][O][C]
0
0
0
[ 2, 1330, 441, 2395, 2547, 2825, 2391, 1593, 1379, 1294, 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][N][N][C][=N][C][Branch1][N][N][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][Branch2][C][Branch1][Ring1][C][O][=C][Ring2][Ring1][P]
0
0
0
[ 2, 1357, 1549, 1565, 1401, 1895, 1371, 1518, 1302, 1547, 1316, 1403, 420, 2559, 1966, 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][=Branch1][C][=O][C][C][Branch1][C][O][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][O][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C]
0
0
0
[ 2, 420, 2651, 1488, 2432, 2759, 1466, 1697, 421, 1357, 1515, 432, 2610, 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][=C][C][=C][Branch2][Ring2][=C][C][C@H1][Branch2][Ring2][Ring1][N][C][=N][C][Branch1][=C][N][C][=N][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=N][C][Branch1][Branch2][N][C][C][O][C][Ring1][Ring2][=N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring1][P]
0
0
0
[ 2, 1357, 1304, 1305, 1400, 422, 1358, 1281, 2097, 437, 1833, 2379, 1557, 2151, 1290, 2619, 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][O][C][=Branch1][C][=O][C][C][=C][Branch2][=Branch1][Ring2][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][Ring1][O][C][C][C][O][C][C][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][Branch1][NH1][N][=Ring2][Ring2][O]
0
0
0
[ 2, 1508, 1319, 2196, 2084, 2000, 1360, 1643, 1329, 2287, 1518, 1407, 1357, 1468, 1346, 1652, 442, 2296, 429, 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][N][C][=C][Branch2][Branch1][#Branch1][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][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][=C][C][=C][C][Ring2][Ring2][Branch1][=O]
0
0
0
[ 2, 420, 1318, 1483, 2474, 2277, 1675, 1418, 1323, 1275, 1657, 443, 1379, 1293, 2082, 430, 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][S][C][C][C][C][Ring1][Ring2][Branch1][C][O][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][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][Cl][=N][Ring2][Ring1][=N]
0
0
0
[ 2, 2537, 2364, 1488, 1364, 1615, 2373, 1353, 1686, 1276, 1302, 1376, 437, 1411, 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][=N][C][=C][Ring1][Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][=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]
0
0
0
[ 2, 420, 1324, 1669, 1354, 2802, 1466, 1318, 1302, 1286, 1286, 422, 2037, 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][Branch1][Ring2][C][C][=C][Branch2][Ring2][O][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][Cl][=N][C][Branch1][S][N][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1602, 1543, 1912, 2229, 1386, 2135, 2587, 1513, 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
[O][=C][Branch2][=Branch1][=Branch1][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][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][N][Dy]
0
0
0
[ 2, 2668, 1487, 1277, 2168, 427, 1357, 1468, 1346, 1820, 2249, 2303, 1885, 1355, 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][=C][C][C@@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1604, 1483, 1359, 1599, 1687, 1560, 1419, 2662, 1448, 1346, 420, 1600, 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@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][N][C][=Branch1][C][=O][S][C][=Branch1][=Branch2][=C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][N][=O][=N][C][Branch2][Ring1][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][Ring2][Ring1][P]
0
0
0
[ 2, 2668, 1311, 424, 435, 440, 1978, 424, 1344, 420, 1484, 1285, 1387, 1337, 426, 2654, 1286, 433, 1463, 2228, 2664, 1973, 1439, 3 ]
[ 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, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
24
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch1][S][N][C][C][=N][O][C][=C][Ring1][Branch1][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][#Branch2][N][C@@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][C][Branch1][C][F][=C][Ring2][Ring2][Branch2]
0
0
0
[ 2, 1703, 1496, 1827, 429, 1291, 1569, 1308, 1512, 1697, 433, 1357, 1501, 1771, 1339, 1337, 1301, 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@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch1][=Branch2][N][C][C][=C][Branch1][C][Cl][Cl][=N][C][Branch1][S][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=N][Ring2][Ring1][Branch1]
0
0
0
[ 2, 1589, 2332, 2996, 2676, 1695, 2149, 2127, 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][Branch2][Branch1][Branch2][C][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][=N][C][Branch1][#C][N][C][C][C][C][C][C][C][Ring1][Branch1][Branch1][C][F][F][=N][C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][Ring2][Ring1][O][N][Dy]
0
0
0
[ 2, 2668, 1496, 1713, 1326, 1357, 1530, 1951, 1985, 1350, 2517, 1377, 1809, 1356, 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][C][C][Branch1][C][C][Branch1][C][O][C][C][N][C][=N][C][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][F][=N][C][Branch1][S][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1]
0
0
0
[ 2, 1313, 1288, 1569, 1429, 2073, 432, 1386, 1279, 1302, 2339, 1447, 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][Branch2][Branch1][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][=N][C][Branch1][S][N][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=N][Ring1][Branch2][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1759, 1974, 2374, 2252, 1386, 1800, 1501, 1435, 2589, 2027, 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][C][=C][Branch2][Ring2][#C][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][C][S][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][N][=N][Ring2][Ring2][C]
0
0
0
[ 2, 1357, 1500, 2586, 1337, 1308, 1363, 1941, 1343, 1339, 429, 424, 1597, 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][C][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][Ring1][O][C][C][=N][Ring1][Branch2][=N][C][Branch2][Ring1][N][N][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Ring1][N][C][=Branch1][C][=O][O][C][=N][Ring2][Ring1][S]
0
0
0
[ 2, 1589, 1358, 1401, 2373, 2155, 1314, 423, 1303, 1470, 1961, 1387, 1294, 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][O][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][=C][Ring1][O][=N][C][Branch1][#C][N][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch2]
0
0
0
[ 2, 1994, 1414, 2114, 2362, 1288, 1376, 1968, 1368, 1329, 1355, 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][C][=C][C][S][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][Branch2][=N][Ring2][Ring1][=Branch1][=N][C][Ring2][Ring1][S][=Ring2][Ring1][N]
0
0
0
[ 2, 2270, 1337, 1772, 1429, 1764, 1968, 1368, 1329, 1784, 1276, 1413, 433, 450, 1410, 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][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][Branch2][Ring1][=Branch1][N][C@@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N]
0
0
0
[ 2, 1644, 1293, 1769, 420, 2389, 2253, 1353, 1697, 2742, 445, 421, 1522, 1287, 1480, 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][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=N][C][Branch1][#C][N][C@H1][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1274, 1275, 1458, 2579, 1619, 2686, 1383, 1634, 1313, 440, 1463, 1287, 1289, 1385, 1619, 2296, 434, 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][C][=C][Branch2][Branch1][O][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][N][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][#N][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][O]
0
0
0
[ 2, 424, 438, 1286, 2466, 2556, 2672, 2942, 2012, 1275, 1816, 1660, 422, 2037, 2622, 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][Branch2][=Branch1][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C@@H1][C][C@H1][Branch1][C][F][C][N][Ring1][=Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][=N][C][Branch2][Ring1][=N][N][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=C][Ring1][S][O][=N][Ring2][Ring2][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][S]
0
0
0
[ 2, 1423, 2320, 1454, 1498, 1674, 1451, 1917, 1349, 1808, 1699, 2313, 439, 1473, 1302, 1369, 2459, 429, 1719, 1305, 1654, 433, 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][S][C][Branch2][=Branch1][Ring2][C][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][C][Branch2][Ring2][C][N][C@@H1][Branch2][Ring1][#Branch1][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring1][C][C][O][C][C][Ring2][Ring2][O]
0
0
0
[ 2, 1559, 2196, 420, 1341, 1401, 1707, 1870, 1276, 1304, 420, 1518, 1283, 431, 1319, 1301, 2343, 1301, 2969, 432, 2585, 1785, 1300, 429, 3 ]
[ 0, 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, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
25
[C][O][C][=C][Branch1][C][F][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][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][=N][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][=Branch2]
0
0
0
[ 2, 1714, 1912, 1515, 437, 2152, 1461, 1381, 1375, 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@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch2][Ring1][C][O][C][=C][C][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch2][C][=C][Ring1][P][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=N][Ring1][Branch2][=N][Ring2][Ring1][P]
0
0
0
[ 2, 1589, 2482, 1931, 2498, 1297, 420, 1280, 1346, 1291, 439, 1386, 1750, 2149, 1439, 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][S][C][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][C][=Branch1][C][=O][NH1][NH1][C][=Branch1][C][=O][C][Ring1][N][=Ring1][Branch2][=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][Ring1]
0
0
0
[ 2, 2626, 1666, 1454, 1303, 2794, 1484, 1518, 1407, 1357, 1863, 1490, 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][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][S][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][NH1][Ring1][Branch1][=N][C][Branch1][#Branch2][N][C][C][=C][O][C][=N][Ring1][Branch1][=N][Ring2][Ring1][Branch2]
0
0
0
[ 2, 1630, 2305, 1871, 1636, 2523, 1577, 1403, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
9
[C][C][S][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][O][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][F][=C][Ring1][O][O][C][=N][Ring2][Ring1][S]
0
0
0
[ 2, 1274, 1666, 1359, 1725, 1645, 1919, 2131, 1424, 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
[O][=C][Branch1][Ring1][N][Dy][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][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][S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][=C]
0
0
0
[ 2, 2668, 1311, 424, 435, 1537, 1470, 1354, 2349, 1917, 1755, 2109, 1982, 1379, 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][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][=C][S][Ring1][#C][=N][C][Branch1][S][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2][=N][Ring2][Ring1][#C]
0
0
0
[ 2, 1920, 1387, 1274, 1927, 1366, 1286, 1593, 1560, 422, 438, 2439, 3025, 1394, 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][O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][C][=N][C][Branch1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][=C]
0
0
0
[ 2, 1423, 2461, 1362, 1565, 2910, 1466, 1518, 1407, 2270, 1712, 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
[C][C][Branch1][C][C][Branch1][Branch1][C][C][C][#N][C][N][C][=N][C][Branch1][S][N][C][C][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][Ring2][Ring1][S]
0
0
0
[ 2, 1526, 423, 1332, 448, 420, 1685, 2920, 2155, 1303, 1368, 1468, 1791, 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
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Size of downloaded dataset files:
13.2 GB
Size of the auto-converted Parquet files:
13.2 GB
Number of rows:
98,415,610