SELFIES
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[C][O][C][=C][N][=C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][O][=N][C][Branch2][Ring1][Branch1][N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=N][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
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[C][=C][Branch1][C][C][C][O][C][C][N][C][=N][C][Branch1][N][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][O][=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] | 0 | 0 | 0 | [
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[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][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][Branch1][=N][N][C][=C][C][Branch1][C][F][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2] | 0 | 0 | 0 | [
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[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][#Branch2][C][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
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[C][#C][C][C@@][Branch1][C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][P][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][S][Ring1][N][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
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[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=N][C][Branch1][#Branch2][N][C][=C][N][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] | 0 | 0 | 0 | [
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[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][Branch2][N][C][=C][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][C][S][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][=Branch2][C][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][Branch1] | 0 | 0 | 0 | [
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[C][N][C][C][N][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch1][S][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][C@H1][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch2][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][Branch2] | 0 | 0 | 0 | [
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[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
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[C][O][C][=C][C][=N][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@H1][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=N][Ring2][Ring2][=Branch1] | 0 | 0 | 0 | [
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[C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][C][Branch1][Ring1][O][C][O][C][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=C] | 0 | 0 | 0 | [
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[C][C][Branch2][Ring2][#C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch2][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | 0 | 0 | 1 | [
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[C][O][C][=C][N][=C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][Ring1][S][C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch2][=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][S][N][=C][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
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[C][O][C][=C][N][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][S][N][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][Ring1][=Branch2][=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][Ring1][=N][=C][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
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[O][=C][Branch1][Ring1][N][Dy][C][=C][Branch1][C][I][C][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][S][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][C][Branch1][S][N][C][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][#Branch2] | 0 | 0 | 0 | [
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[C][C][=C][N][=C][Branch2][Branch1][O][C][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][S][Ring2][Ring2][=Branch1] | 0 | 0 | 0 | [
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3
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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][Branch2][Branch1][Branch2][C][C][C][N][C][=N][C][Branch1][P][N][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][Br][=C][Ring1][O][C][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
2,
2270,
1496,
1313,
1366,
1891,
1511,
2443,
1867,
1411,
1719,
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][N][C][=C][C][Branch2][=Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][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][#Branch1][N][C@@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][=C][Ring2][Ring2][=C] | 0 | 0 | 0 | [
2,
420,
1317,
2463,
2055,
2500,
1323,
2068,
1408,
1697,
2742,
445,
421,
1405,
1335,
1322,
1327,
421,
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][Branch2][Branch1][P][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring1][O][=N][C][Branch2][Ring1][=C][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][O][C][C][=Branch1][C][=O][N][Dy][=C][Ring1][N][=C][S][Ring1][P][=N][Ring2][Ring2][Branch1][=C][C][=C][Ring2][Ring2][N][F] | 0 | 0 | 0 | [
2,
424,
438,
1293,
2091,
2319,
1990,
2263,
1606,
1359,
1473,
1326,
2645,
1295,
1315,
433,
2057,
1652,
1882,
424,
432,
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 |
[C][N][C][=C][Branch2][Branch1][=C][C][C@@H1][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][N][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][=C] | 0 | 0 | 0 | [
2,
420,
1318,
1306,
1305,
440,
1449,
1415,
1715,
1316,
1286,
424,
1622,
1371,
1324,
2235,
1600,
1377,
1300,
421,
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][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][O][N][C][C][N][C][=N][N][=N][Ring1][Branch1][=N][C][Branch1][#C][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][C][Cl] | 0 | 0 | 0 | [
2,
1349,
2661,
1772,
1775,
1324,
2245,
1383,
1338,
441,
1372,
1287,
1403,
1327,
420,
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][C][O][C][C][N][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C] | 0 | 0 | 0 | [
2,
1399,
1307,
1917,
1274,
1502,
2852,
1773,
1564,
1323,
2079,
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 |
[C][C][C][C][C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][#C][N][C][C][Branch1][Ring1][S][C][C][C][O][C][C][Ring1][Branch2][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
1547,
1626,
1489,
1311,
1678,
1307,
1329,
1409,
1574,
1417,
1596,
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][N][C][=C][C][=C][C][Branch2][Branch1][#Branch2][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][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][P][=C][C][=C][Ring2][Ring2][Branch2][Ring2][Ring2][O] | 0 | 0 | 0 | [
2,
420,
1342,
1538,
2272,
2238,
1305,
2145,
1466,
1518,
1407,
1473,
1309,
1430,
437,
1439,
1882,
1864,
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][C][=C][C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][N][C][=C][C][=C][Branch1][C][F][C][Ring1][#Branch1][=N][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][Cl] | 0 | 0 | 0 | [
2,
1349,
1496,
1849,
1574,
1312,
1465,
1418,
1323,
1275,
1657,
443,
1394,
1882,
426,
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 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][C][Branch1][=N][N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][O] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
441,
423,
2030,
1448,
1568,
1415,
1488,
2077,
443,
2660,
1712,
1356,
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][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch2][Ring2][N][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][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][#Branch2][C][=N][Ring2][Ring2][Branch1] | 0 | 0 | 0 | [
2,
1505,
1549,
2657,
2238,
1376,
1954,
2856,
2613,
1652,
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][Branch1][Ring1][C][C][Branch2][=Branch1][Ring1][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][Branch2][Ring1][C][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Branch1][O][C] | 0 | 0 | 0 | [
2,
1313,
1929,
1487,
2013,
2001,
1303,
1333,
1285,
2368,
425,
2649,
1652,
1294,
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][C][=C][C][=C][Branch2][Branch1][O][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][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch2] | 0 | 0 | 0 | [
2,
2119,
1704,
2102,
1387,
1337,
426,
2654,
1286,
433,
1463,
2228,
1361,
2444,
1325,
1290,
1322,
1319,
2027,
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][=C][C][=C][Branch2][Ring2][P][N][C][=N][C][Branch1][=N][N][C][C][=C][NH1][C][=Branch1][C][=O][N][=Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O][Ring1][N][=N][Ring2][Ring1][O][C][=N][Ring2][Ring2][C] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1286,
1458,
2087,
2080,
2105,
1773,
2782,
1811,
1597,
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][S][C][C][C][C][Ring1][Ring2][Branch1][C][O][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][=C] | 0 | 0 | 0 | [
2,
2537,
2364,
1488,
1502,
1552,
1956,
1290,
2117,
2807,
1379,
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][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][=N][C][Branch1][S][N][C][=N][C][Branch1][C][F][=C][C][Branch1][C][F][=N][Ring1][Branch2][=N][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][=N] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
420,
1458,
2272,
2739,
2676,
1647,
1301,
1435,
1375,
1274,
1413,
425,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][Branch2][Ring2][=N][N][C][=N][C][Branch1][#C][N][C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br][=N][C][Branch1][P][N][C][C][C][C][C][C][Branch1][Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][=C] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
420,
1542,
1364,
3012,
1378,
1635,
2290,
1355,
1274,
1413,
421,
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][Ring2][S][N][C][=N][C][Branch1][=C][N][C][C][C][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
1396,
1491,
2078,
2985,
2134,
1924,
1280,
1819,
1513,
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][Branch2][Branch1][Branch2][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][#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][Ring1][#C][S][N][=Ring2][Ring2][=Branch1] | 0 | 0 | 0 | [
2,
2361,
2375,
1951,
1583,
1274,
1616,
1512,
1317,
1584,
1437,
1394,
433,
2296,
426,
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][P][C][C@@H1][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][S][N][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2][=N][Ring2][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Dy] | 0 | 0 | 0 | [
2,
2668,
2091,
1713,
1458,
1706,
2991,
2681,
1494,
1329,
1356,
2716,
424,
435,
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][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][Branch1][=C][N][C][C][=C][C][=Branch1][C][=O][N][=C][NH1][Ring1][#Branch1][=N][C][Branch1][#Branch2][N][C][=C][N][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
2061,
1864,
420,
1351,
2887,
1636,
2918,
2605,
1413,
429,
1290,
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][N][=C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][=C][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][O][Ring2][Ring2][Ring1] | 0 | 0 | 0 | [
2,
2143,
2321,
1562,
1866,
1557,
1946,
424,
429,
1995,
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][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][Ring1][=N][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=Branch1][O][C] | 0 | 0 | 0 | [
2,
1655,
424,
2431,
2393,
1548,
1479,
1656,
1599,
1437,
421,
1302,
433,
1724,
1394,
2446,
1294,
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 |
[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][Branch1][S][N][C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Br][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1293,
2661,
1568,
1827,
2404,
1751,
1851,
1323,
1987,
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][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][O][C][=N][C][Branch2][Ring1][=Branch1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][=N][=N][Ring2][Ring1][=N] | 0 | 0 | 0 | [
2,
2401,
1464,
2007,
1323,
2680,
1353,
1634,
1368,
440,
1399,
440,
1308,
1724,
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 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][C][O][C][C][N][Ring1][=Branch1][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][Branch1][=Branch2][N][C][C][=C][S][C][=Ring1][Branch1][=N][Ring2][Ring1][=Branch2] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
441,
1643,
424,
1372,
1371,
1612,
2825,
1572,
1314,
1682,
1375,
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][Branch1][C][C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][=C][N][C][C][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][Br][=C][Ring1][O][F][=N][Ring2][Ring1][N][C][C][C][Ring1][Ring1] | 0 | 0 | 0 | [
2,
1330,
1288,
2321,
2078,
2236,
1607,
1323,
1376,
432,
1289,
1331,
1583,
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][NH1][N][=C][Ring1][Branch1][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][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][O][C][C][Ring1][#Branch2][=N][Ring2][Ring1][=C] | 0 | 0 | 0 | [
2,
2408,
2631,
2547,
2825,
1371,
1279,
1302,
1785,
1344,
1379,
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][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#C][N][C][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][=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][#Branch2][C][=C][Ring2][Ring1][P][O] | 0 | 0 | 0 | [
2,
1554,
1500,
1366,
1303,
1360,
2085,
1378,
1518,
1274,
2076,
1343,
1355,
2619,
429,
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][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][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][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][#C] | 0 | 0 | 0 | [
2,
1714,
2304,
2023,
1622,
1671,
3004,
1394,
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][=C][C][=C][Branch2][=Branch1][Branch1][N][C][=N][C][Branch2][Ring2][Ring1][N][C][=C][C][=C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][C][=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][Branch1][C][=C][Ring2][Ring2][N] | 0 | 0 | 0 | [
2,
2361,
1275,
1487,
423,
1281,
2186,
2302,
1782,
420,
1468,
1551,
420,
1361,
1518,
1326,
1357,
429,
1463,
1287,
1652,
1327,
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
] | [
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][=C][C][Branch1][C][C][=C][Branch2][Ring2][S][C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][Ring1][#Branch2][=N][C][Branch1][#C][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][NH1][Ring2][Ring2][Branch1] | 0 | 0 | 0 | [
2,
1705,
2405,
2474,
1368,
1465,
2152,
1461,
1381,
1289,
1422,
442,
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][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][N][C][=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][C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2][=N][Ring2][Ring1][O] | 0 | 0 | 0 | [
2,
2668,
1511,
1473,
1302,
1369,
1624,
1635,
1962,
1837,
1372,
1819,
1344,
1386,
2961,
1356,
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 |
[N][#C][C][=C][C][=C][Branch2][Branch1][N][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][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Branch1][C][Cl][C][Branch1][C][Br][=C][Ring1][N][F][=N][Ring2][Ring1][P][C][=C][Ring2][Ring2][Branch2][C][Branch1][C][F][Branch1][C][F][F] | 0 | 0 | 0 | [
2,
424,
438,
1286,
1789,
2374,
2252,
1484,
1318,
1302,
1275,
1501,
1323,
1472,
432,
1439,
2140,
1437,
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][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][C][N][C][=N][C][Branch1][N][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2] | 0 | 0 | 0 | [
2,
1853,
420,
2279,
1565,
1279,
424,
1385,
1288,
2481,
1361,
2444,
1325,
1339,
434,
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][C][C][C][C][Ring1][Ring2][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][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C] | 0 | 0 | 0 | [
2,
2537,
2364,
1488,
2304,
2023,
1622,
1671,
1452,
441,
1343,
1339,
438,
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][=C][C][=C][Branch2][Branch1][#C][N][C][=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][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][O][Cl] | 0 | 0 | 0 | [
2,
1655,
438,
1502,
1711,
1660,
1869,
1399,
1724,
1466,
1634,
1407,
1357,
1323,
1325,
1536,
1327,
429,
437,
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][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=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][C][O][C][C][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
2,
1920,
1274,
2260,
1358,
1318,
2807,
1484,
1518,
1407,
1357,
1869,
1394,
1785,
2111,
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][O][C][Branch2][Ring2][P][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][Branch1][Ring1][C][O][C][C][C][=C][C][Ring1][Branch2][C][Ring1][Branch1][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][C][N][Branch1][C][C][C] | 0 | 0 | 0 | [
2,
1274,
1294,
2635,
1415,
2790,
1862,
1321,
1668,
1814,
1680,
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][Branch1][C][C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=N][C][Branch1][=N][N][C][C][=C][NH1][C][=Branch1][C][=O][N][=Ring1][#Branch1][=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][O] | 0 | 0 | 0 | [
2,
1482,
2311,
1524,
2087,
2080,
2105,
1353,
1686,
1276,
1302,
1376,
437,
1356,
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][N][=C][Branch2][Ring2][P][N][C][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][=N][C][=N][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
2392,
1458,
1429,
1401,
1816,
1466,
1518,
1407,
1286,
1863,
1460,
1536,
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][C][N][Branch2][=Branch1][#Branch2][C][C][=C][C][=C][Branch2][Branch1][=N][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Ring1][Ring2][Branch1][C][F][F][=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][S][N][=C][Ring2][Ring2][#Branch1][C][C][Ring2][Ring2][=C] | 0 | 0 | 0 | [
2,
1274,
2381,
1487,
436,
1759,
425,
1359,
2937,
1656,
1318,
1388,
2699,
1286,
1419,
1339,
433,
1611,
431,
1274,
1300,
421,
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][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][=N][C][Branch2][Ring1][Ring1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][P] | 0 | 0 | 0 | [
2,
1508,
1274,
1425,
1961,
426,
1502,
2302,
1464,
1616,
1765,
1361,
1667,
1399,
2058,
1439,
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][Branch1][Ring1][N][Dy][C][=N][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][N] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
420,
1603,
1305,
1771,
1997,
1345,
1286,
1530,
1467,
2660,
1712,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Branch1][P][N][C][C][=C][N][=C][N][=C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][=N][N][C][C][N][C][C][C][O][C][C][Ring1][#Branch1][=N][C][Branch1][#C][N][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][Ring2][Ring1][#Branch2][NH1][C][=Branch1][C][=O][C][Ring2][Ring2][C][=N][Ring2][Ring2][=Branch1][C][=C][Ring2][Ring2][=C] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1286,
2091,
1615,
1315,
1626,
1610,
2760,
2318,
1836,
1762,
1355,
2282,
2445,
1690,
1327,
421,
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][C][C][N][Ring1][Ring2][C][=N][C][Branch1][#Branch2][N][C][C][C][=N][S][C][=Ring1][Branch1][=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][N] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
441,
1274,
424,
1557,
420,
1636,
1331,
425,
1682,
1466,
1711,
1660,
1869,
1399,
1724,
1480,
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 |
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][C][Br][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][=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][Ring2][Ring2][C][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
2071,
1510,
1971,
1469,
1286,
1321,
1665,
1353,
1342,
1835,
1791,
2004,
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][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][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][=N][Ring2][Ring1][S] | 0 | 0 | 0 | [
2,
1994,
1923,
2487,
2718,
1466,
1634,
1407,
1357,
1470,
1424,
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@@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][Ring2][N][C][C][C][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch1][#Branch2][N][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
2168,
427,
1357,
1468,
1346,
2374,
2938,
1636,
2948,
1355,
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][N][=C][Ring1][Branch1][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][#Branch2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S] | 0 | 0 | 0 | [
2,
420,
2650,
2447,
2231,
1512,
1303,
1468,
1346,
1339,
433,
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][N][C][=C][Branch2][Ring2][P][C][N][C][=N][C][Branch1][S][N][C][C][Branch1][=Branch1][S][Branch1][C][C][=O][C][C][C][Ring1][#Branch1][=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][#Branch2][C][=N][Ring2][Ring1][P] | 0 | 0 | 0 | [
2,
420,
1318,
2635,
1608,
1390,
1761,
2292,
2391,
1368,
1465,
2613,
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][C][=C][N][=C][Branch1][C][F][C][Branch2][Branch1][C][C][N][C][=N][C][Branch1][S][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=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][=C][Ring2][Ring2][=Branch1] | 0 | 0 | 0 | [
2,
2143,
1451,
2113,
2708,
2804,
1544,
1593,
432,
1411,
2655,
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][Branch1][C][F][=C][C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Br][=C][N][C][=C][N][=C][Ring1][#Branch2][Ring1][Branch1][=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][Ring1][P][=C][Ring2][Ring2][=Branch2] | 0 | 0 | 0 | [
2,
1349,
1647,
1789,
1341,
1281,
2425,
1656,
1697,
2030,
1448,
1568,
1339,
439,
2690,
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][Branch1][C][C][N][=C][Ring1][#Branch1][C][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N] | 0 | 0 | 0 | [
2,
1334,
1288,
1446,
420,
2557,
2300,
2056,
2089,
424,
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][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N][C][=N][C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=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][Ring2][C] | 0 | 0 | 0 | [
2,
1621,
1981,
1492,
3003,
1656,
1318,
1388,
2699,
1286,
1419,
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][O][C][Branch2][=Branch1][Branch1][C][Branch1][C][F][Branch1][C][F][C][N][C][=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][C][Branch2][Ring1][Branch1][N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring2][Ring2][C][C][O][C][C][Ring2][Ring2][#C] | 0 | 0 | 0 | [
2,
1330,
1487,
1284,
2000,
1598,
1317,
1345,
1317,
1577,
421,
1398,
1290,
1406,
1318,
2125,
1312,
1377,
1536,
1785,
1300,
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][N][C][=N][C][=C][Ring1][Branch1][C][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][S][C][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][N][=C][Ring1][#Branch2][=N][Ring2][Ring1][N][N][C][C][C][C][Ring1][Branch1] | 0 | 0 | 0 | [
2,
420,
1324,
1669,
2395,
2051,
3034,
2391,
1302,
1670,
1480,
1578,
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][P][N][C][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][C][=N][Ring2][Ring2][=Branch2] | 0 | 0 | 0 | [
2,
1994,
2091,
2194,
2313,
439,
1436,
1279,
1320,
1765,
2039,
2079,
2527,
2011,
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][Ring1][N][C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][Ring1][#Branch1][=N][Ring2][Ring1][O] | 0 | 0 | 0 | [
2,
2401,
1464,
1849,
1546,
1386,
1338,
2300,
2056,
1356,
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][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][Branch2][Branch1][Ring2][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][Ring2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][=N][O][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
1633,
1332,
1278,
1399,
2395,
2458,
2837,
1363,
1634,
1407,
1357,
1530,
1411,
429,
1996,
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][Branch2][Branch1][P][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring1][O][=N][C][Branch2][Ring1][=C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][Ring2][Ring2][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][=N][O][C] | 0 | 0 | 0 | [
2,
1423,
2091,
2319,
1990,
2263,
1606,
2729,
1322,
1275,
1723,
2409,
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][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][Branch1][C][C][C][=N][C][Branch2][Ring1][Ring1][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][O][=N][Ring2][Ring1][=N][C][C][O][C][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
1330,
2414,
2555,
1320,
2271,
1332,
1361,
1974,
1547,
1419,
1411,
1274,
1294,
1996,
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][Ring2][=C][N][C][=N][C][Branch1][N][N][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1] | 0 | 0 | 0 | [
2,
1423,
1514,
1565,
1938,
1803,
426,
2534,
436,
1305,
1654,
422,
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][=O][N][C][=C][C][=C][C][Branch2][Branch1][#Branch2][N][C][=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][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][=N][Ring2][Ring2][Branch1] | 0 | 0 | 1 | [
2,
1896,
1473,
1538,
1927,
2519,
1399,
1528,
1950,
1463,
1312,
1410,
1378,
1634,
1274,
440,
1368,
1343,
1379,
1652,
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,
1
] | 21 |
[N][#C][C][=C][N][=C][N][=C][Ring1][=Branch1][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][Branch1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][Cl][=C][Ring1][O][=N][Ring2][Ring1][S] | 0 | 0 | 0 | [
2,
424,
438,
1537,
1414,
1416,
1331,
1787,
1515,
2062,
1368,
1309,
1376,
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][S][=Branch1][C][=O][C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][P][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=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][C][C][C][Ring2][Ring2][C] | 0 | 0 | 0 | [
2,
420,
1391,
420,
2321,
2136,
1982,
1361,
1634,
1407,
1286,
1530,
1289,
1331,
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 |
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][S][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=N][C][Branch1][O][N][C][C][C][C][C][O][C][Ring1][=Branch1][=N][Ring2][Ring1][=N][C][Ring2][Ring2][C][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
2061,
2405,
1466,
1615,
2066,
1476,
1540,
1834,
1460,
1300,
1335,
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][Branch1][C][C][Branch1][C][O][C][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Cl][=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] | 0 | 0 | 0 | [
2,
1313,
1288,
1569,
2656,
2044,
437,
1418,
1309,
1567,
1455,
424,
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 |
[N][=C][Branch1][Branch1][C][C][C][N][N][C][=N][C][Branch1][#Branch2][N][C][C][=N][C][=C][S][Ring1][Branch1][=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][=Branch2] | 0 | 0 | 0 | [
2,
1315,
423,
1332,
424,
2516,
1530,
1544,
1593,
429,
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][C][=C][Branch2][Branch1][#Branch2][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][Branch2][Ring1][Ring1][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][O][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][Branch2][C][N][C][C][O][C][C][Ring1][=Branch1] | 0 | 0 | 0 | [
2,
1334,
2465,
2714,
2066,
1361,
1974,
1547,
1419,
1424,
2140,
420,
1467,
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][Branch2][Branch1][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][=C][=C][C][=C][Ring2][Ring2][Branch1][Cl] | 1 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1293,
1481,
2643,
1722,
2017,
1817,
2518,
437,
1379,
1882,
423,
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
] | [
1,
0,
0
] | 18 |
[C][C][Branch1][C][F][Branch1][C][F][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][C][Ring1][Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][Branch1][#C][N][C][C][C][C@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N] | 0 | 0 | 0 | [
2,
1274,
2000,
1359,
2265,
1977,
1383,
1331,
441,
1528,
1287,
1480,
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@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][C][S][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
440,
1755,
424,
1819,
1406,
1563,
1468,
1369,
2141,
1569,
1337,
1308,
1355,
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][Ring1][C][#N][=C][N][=C][Ring1][Branch2][N][C][=N][C][Branch1][=N][N][C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][C][C@@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][Branch2] | 0 | 0 | 0 | [
2,
1349,
2367,
1625,
1374,
2763,
1383,
1331,
440,
1528,
1287,
1403,
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][Ring2][#Branch2][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][=Branch2][N][C][C][=C][S][C][=Ring1][Branch1][=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
1547,
1573,
2500,
1323,
2068,
1572,
1314,
1682,
1596,
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][S][S][C][C][N][C][=N][C][Branch1][#C][N][C][C][=C][Branch1][C][C][N][Branch1][C][C][N][=Ring1][#Branch1][=N][C][Branch2][Ring1][=C][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][O][C][C][=Branch1][C][=O][N][Dy][=C][Ring1][N][=C][S][Ring1][P][=N][Ring2][Ring1][S] | 0 | 0 | 0 | [
2,
2626,
1666,
1364,
1938,
1431,
1531,
431,
1606,
1359,
1473,
1326,
2645,
1295,
1315,
433,
2057,
1424,
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][=Branch1][C][=O][C][=C][N][=C][C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][C][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][Ring1][=N][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch2] | 0 | 0 | 0 | [
2,
1365,
2023,
1789,
1624,
2968,
2012,
1405,
1346,
2585,
1328,
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 |
[C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=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][Branch2] | 0 | 0 | 0 | [
2,
1349,
2360,
2102,
1286,
2066,
2287,
1518,
1407,
1357,
1468,
1346,
1865,
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][=C][C][=N][C][Branch1][C][Cl][=N][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][=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][O][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][O][C] | 0 | 0 | 0 | [
2,
1423,
1603,
1276,
1500,
1364,
1939,
1294,
1371,
1667,
1547,
1316,
1823,
422,
2324,
1294,
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][Branch1][Ring1][N][Dy][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][O][N][C][C][C][C][C][O][C][Ring1][Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=N][Ring2][Ring1][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
420,
1500,
2437,
1999,
2012,
2201,
1660,
1291,
2037,
1411,
1274,
1377,
2111,
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 |