SELFIES
stringlengths 149
675
| molecule_smiles
stringlengths 38
142
| input_ids
sequencelengths 7
48
| token_type_ids
sequencelengths 7
48
| special_tokens_mask
sequencelengths 7
48
| attention_mask
sequencelengths 7
48
| length
int64 7
48
|
|---|---|---|---|---|---|---|
[C][C][Branch2][Ring2][=N][C][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=C][C][C][Ring1][Branch1][=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][=Branch2][S][Branch1][C][C][=O] | CC(CCNc1nc(NCC2C=CCC2)nc(NC2(CC(=O)N[Dy])CCCCC2)n1)S(C)=O | [
2,
1274,
1542,
1274,
1778,
2737,
1361,
1974,
1547,
1419,
1375,
1761,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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1,
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
] | 13 |
[C][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][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@@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P] | Cc1cnc(Cl)nc1Nc1nc(NCc2ccc3c(c2)CC(=O)N3C)nc(N[C@@H](Cc2ccccc2F)C(=O)N[Dy])n1 | [
2,
2143,
1885,
1454,
1563,
2110,
1896,
2086,
1406,
1697,
1521,
432,
1339,
439,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 15 |
[O][=C][C][C][C][Branch2][Ring2][=N][N][C][=N][C][Branch1][=Branch2][N][C][=N][C][=N][S][Ring1][Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][S] | O=C1CCC(Nc2nc(Nc3ncns3)nc(Nc3c(Cl)cc(Cl)nc3C(=O)N[Dy])n2)CC1 | [
2,
2668,
1313,
1542,
1599,
1281,
2356,
1418,
1309,
2520,
1625,
1339,
434,
1274,
1413,
433,
3
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0,
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0,
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0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
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1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][C][=C][C][=C][Branch2][Ring2][N][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Cl][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][C][Branch1][C][Cl][=N][Ring2][Ring2][Ring1] | Cc1ccc(CNc2nc(Nc3ccc(C)nc3Cl)nc(Nc3cccnc3C(=O)N[Dy])n2)c(Cl)n1 | [
2,
1357,
1304,
1279,
1912,
2544,
1862,
1321,
1668,
1355,
2188,
1490,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0
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1,
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
] | 13 |
[O][=C][Branch2][Branch1][S][C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=N][Ring1][O][=N][Ring2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][Dy] | O=C(C[C@@H](Nc1nc(NCc2cccnc2)nc(Nc2cc(N3CCCC3)ccn2)n1)c1cccc([N+](=O)[O-])c1)N[Dy] | [
2,
2668,
1306,
1337,
440,
1549,
1429,
1764,
1766,
2238,
1305,
2145,
1355,
1473,
1448,
1479,
424,
435,
3
] | [
0,
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0,
0,
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0,
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0,
0,
0,
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0,
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] | [
1,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=C][N][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring1][#Branch2][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring2] | Cc1cc(Cl)cc(Nc2nc(NCCC(=O)NC3CCCC3)nc(Nc3cncc(C(=O)N[Dy])n3)n2)c1 | [
2,
1763,
1305,
1491,
1685,
2899,
1371,
1812,
1302,
1465,
1821,
427,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 13 |
[O][=C][Branch2][Branch1][=Branch2][N][C][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][O][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=C(NCCNc1nc(NCc2cc(C(F)(F)F)co2)nc(Nc2ccc(F)cc2C(=O)N[Dy])n1)c1ccccc1F | [
2,
2668,
1510,
1285,
1971,
2250,
1809,
1544,
1515,
1339,
425,
1377,
432,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0
] | [
1,
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1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][N][C][=C][Branch2][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][S][N][C][C][C][C@@H1][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][=N][Ring2][Ring1][#C][C][=N][Ring2][Ring2][N] | Cn1cc(-c2ccccc2CNc2nc(NCCC[C@@H]3NC(=O)NC3=O)nc(Nc3cc(C(=O)N[Dy])ccc3C(=O)O)n2)cn1 | [
2,
420,
1318,
1948,
2112,
1685,
2952,
1408,
1317,
1584,
1499,
429,
2020,
1322,
424,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][N][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | Cc1ccnc(Cl)c1Nc1nc(Nc2nc3nc[nH]c3c(=O)[nH]2)nc(N[C@@H](Cc2cscn2)C(=O)N[Dy])n1 | [
2,
1349,
2097,
1341,
1281,
2108,
1524,
1494,
1344,
1361,
1518,
1326,
1319,
1337,
425,
1463,
1287,
1411,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][C][Branch1][C][C][C][C][Branch2][Ring2][S][C][C][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=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][O][C][=Branch1][C][=O][N][Ring2][Ring2][Branch1] | CC1(C)CC(CCNc2nc(NCc3ccc4[nH]ccc4c3)nc(N[C@@H]3CC[C@H](C(=O)N[Dy])C3)n2)C(=O)N1 | [
2,
1890,
1491,
1274,
2048,
1842,
1762,
1378,
1518,
1274,
2076,
1343,
1811,
1280,
2082,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][O][C][=N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][N][C][=N][C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=N][Ring1][Branch2][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][=Branch2] | COc1nccc(C(=O)N[Dy])c1Nc1nc(NCc2ccc(C)c(C)n2)nc(Nc2ccc(Cl)nc2Cl)n1 | [
2,
1709,
1366,
1367,
1332,
2149,
1638,
2229,
1375,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 10 |
[C][C][=C][C][Branch2][Branch1][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][=Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][Ring2][Ring2][C][=C][N][=C][Ring2][Ring2][=Branch2][Br] | Cc1cc(Nc2nc(NCCCOc3cccc(F)c3)nc(N[C@@H](CC(=O)N[Dy])Cc3cccc(C#N)c3)n2)cnc1Br | [
2,
1349,
1496,
1492,
3003,
1484,
1518,
1407,
2270,
1420,
1389,
1322,
1537,
2027,
443,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][C][=C][C][=C][Branch2][#Branch1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Branch1][N][O][C][C][N][C][=N][C][Branch1][S][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][NH1][Ring1][Branch1][=N][C][Branch2][Ring1][O][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][P][=N][Ring2][Ring2][#C][C][=C][Ring2][Branch1][Branch1] | Cc1ccc(-c2cc(C(F)(F)F)nc(OCCNc3nc(NCCNC(=O)c4ccn[nH]4)nc(N[C@@H](CC(=O)N[Dy])Cc4ccc(Cl)c(Cl)c4)n3)n2)cc1 | [
2,
1357,
428,
431,
1349,
1468,
1276,
1789,
1307,
2305,
1871,
1656,
1518,
1407,
1357,
1501,
1771,
1439,
1322,
438,
1275,
427,
423,
423,
3
] | [
0,
0,
0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0,
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0
] | [
1,
0,
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0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 25 |
[C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=N][C][Branch2][Ring1][=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][S][C][=C][Ring2][Ring2][#Branch1][O][C] | COc1ccc(Nc2nc(NCc3nc(-c4ccncc4)no3)nc(N3[C@H](C(=O)N[Dy])C[C@@H]4CCCC[C@@H]43)n2)cc1OC | [
2,
1334,
1510,
1631,
1572,
1558,
1523,
1419,
1353,
1634,
1368,
440,
1399,
440,
1308,
1724,
1424,
2324,
1294,
3
] | [
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0,
0,
0,
0,
0,
0,
0,
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0
] | [
1,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0,
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1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][N][C][N][C][=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][C][Branch2][Ring1][Ring1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][=N][Ring2][Ring1][S][C][=Branch1][C][=O][NH1][Ring2][Ring2][#Branch2] | Cc1cc(C)c(CNc2nc(Nc3ccc(C(=O)N[Dy])c(C(=O)O)c3)nc(Nc3cc(-c4ccccc4)[nH]n3)n2)c(=O)[nH]1 | [
2,
1705,
2485,
1598,
1303,
1368,
1497,
1278,
429,
1641,
2363,
2252,
2157,
1494,
2471,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
1,
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
] | 16 |
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Branch1][Ring2][C][C][C][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Br][C][=N][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][O][C][Ring2][Ring2][=Branch1][=O] | CC1(C)NC(=O)N(CCCNc2nc(Nc3cnc(Br)cn3)nc(Nc3c(C(=O)N[Dy])ccc(Br)c3F)n2)C1=O | [
2,
1526,
1279,
1280,
1459,
1313,
1374,
2997,
1607,
1323,
1376,
432,
1811,
2074,
430,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][O][C][=C][C][Branch2][Ring2][=N][N][C][=N][C][Branch1][O][N][C][C][C][C][S][Branch1][C][C][=O][=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][O][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][=Branch1][O][C] | COc1cc(Nc2nc(NCCCCS(C)=O)nc(Nc3ccc(Cn4ccnc4)cc3)n2)c(C(=O)N[Dy])cc1OC | [
2,
1423,
1542,
1429,
1338,
1761,
1671,
3004,
1356,
1804,
426,
1294,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 13 |
[C][C][S][C][Branch1][C][C][=C][Branch2][Branch1][Ring2][C][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][P][N][C@@H1][Branch1][#Branch1][C][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][=Ring2][Ring2][#Branch1][Br] | Cc1sc(C)c(CNc2nc(NCc3cnc(-c4ccccc4)o3)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)c1Br | [
2,
1274,
1337,
1425,
2395,
2579,
1619,
2686,
1378,
1518,
1297,
1715,
458,
462,
1339,
1336,
1847,
431,
443,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 20 |
[C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][N][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][=N][C][Branch2][Ring1][Ring1][N][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C] | Cn1nccc1CNc1nc(Nc2cnc(C#N)c(C(F)(F)F)c2)nc(Nc2cnc(Cl)cc2C(=O)N[Dy])n1 | [
2,
1633,
1315,
1669,
1502,
1428,
2239,
1361,
1428,
1470,
1339,
438,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 13 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Br][=C][Ring1][Branch2][N][C][=N][C][Branch1][=N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][F][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#C] | O=C(N[Dy])c1cc(F)cc(Br)c1Nc1nc(NCCc2ccncc2F)nc(NCc2ccc(C(=O)N3CCCC3)cc2)n1 | [
2,
2668,
1311,
424,
435,
1293,
1647,
1323,
1389,
1610,
1558,
432,
1466,
1794,
2330,
1817,
1394,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 18 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][Cl][C][Branch2][=Branch1][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Branch2][Ring1][P][N][C][C][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C][=N][Ring2][Ring2][Branch2][=C][Ring2][Ring2][S] | O=C(N[Dy])c1ccc(Cl)c(Nc2nc(NCCNC(=O)c3ccccc3F)nc(NCCC3CN(c4ncnc5[nH]ncc45)c4ccccc43)n2)c1 | [
2,
2668,
1311,
424,
435,
1286,
1501,
2320,
1415,
2903,
1874,
2844,
1865,
1328,
433,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][C][C][=C][C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][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][=N][Ring2][Ring1][P][=N][NH1][Ring2][Ring2][#Branch1] | CCc1cc(Nc2nc(NCC(C)(C)C(=O)N3CCCC3)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc(Cl)cc3)n2)n[nH]1 | [
2,
1274,
1293,
1789,
1997,
1632,
2014,
1466,
1518,
1407,
1357,
1470,
1439,
1618,
2111,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][C][Branch1][P][N][C][C][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][=Branch1][Ring1][Ring1][=N][Ring2][Ring1][O] | Cc1cc(Cl)cc(C(=O)N[Dy])c1Nc1nc(NCc2nc3ccccc3s2)nc(NCC2CC3CC2C2CC32)n1 | [
2,
1855,
2524,
1751,
1378,
1635,
2944,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 9 |
[C][#C][C][C@@][Branch1][C][C][Branch2][Branch1][#C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][C][F][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][O][C][Ring1][S][=Ring1][N][=N][Ring2][Ring2][C][C][=Branch1][C][=O][N][Dy] | C#CC[C@@](C)(Nc1nc(Nc2cc(F)c(OC)c(F)c2)nc(Nc2cccc3c(=O)cc(-c4nn[nH]n4)oc23)n1)C(=O)N[Dy] | [
2,
1591,
2018,
2698,
1564,
1360,
1301,
1369,
2155,
2883,
2004,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][O][C][=N][C][=C][Branch2][Ring2][=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][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][P][C][Branch1][C][F][Branch1][C][F][F] | COc1ncc(Nc2nc(NCC3(O)CCCC3)nc(Nc3ccc(F)cc3C(=O)N[Dy])n2)cc1C(F)(F)F | [
2,
1330,
1433,
1514,
2586,
2058,
1544,
1515,
1339,
436,
2619,
1437,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 13 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][=N][C][Branch1][=C][N][C][=C][C][Branch1][Ring1][C][O][=C][C][=N][Ring1][Branch2][=N][Ring2][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][#C] | O=C(N[Dy])c1ccc(Nc2nc(Nc3ccc(F)cn3)nc(Nc3cc(CO)ccn3)n2)c(F)c1 | [
2,
2668,
1311,
424,
435,
1286,
1677,
1374,
1574,
1417,
2530,
2559,
2254,
1447,
1384,
1551,
438,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 18 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=N][C][Branch1][=N][N][C][C][=C][S][C][=Branch1][C][=O][NH1][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][O] | O=C(N[Dy])[C@@H]1CCCCN1c1nc(NCc2csc(=O)[nH]2)nc(Nc2ccc(Cn3ccnc3)cc2)n1 | [
2,
2668,
1311,
424,
435,
440,
1399,
424,
1372,
2543,
2707,
1308,
1671,
3004,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=C][S][Ring2][Ring2][Ring1] | COC(=O)c1cc(Nc2nc(Nc3cccnc3Cl)nc(N[C@H](Cc3cc(F)cc(F)c3)C(=O)N[Dy])n2)cs1 | [
2,
1621,
1449,
1429,
2073,
437,
1512,
1634,
423,
433,
1349,
1982,
1339,
425,
1560,
1995,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 17 |
[C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][=N][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][=N][Ring2][Ring1][P] | COc1cccc(F)c1CNc1nc(Nc2ccc([N+](=O)[O-])c(C(=O)N[Dy])c2)nc(Nc2ccc(C#N)c(C(F)(F)F)c2)n1 | [
2,
2483,
1886,
1598,
2243,
1302,
1641,
2675,
2239,
1439,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][C][O][C][=C][C][Branch2][Ring2][=Branch1][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][Ring1][S][C][O][Ring1][#Branch1][=N][C][Branch1][O][N][C][C][Branch1][C][O][C][C][Ring1][Ring2][=N][Ring2][Ring1][Branch1][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy] | CCOc1cc(Nc2nc(NCc3ccc(SC)o3)nc(NCC3(O)CC3)n2)c(Cl)cc1C(=O)N[Dy] | [
2,
1561,
1910,
1916,
1311,
433,
2056,
1476,
2519,
1557,
2127,
2197,
1276,
1287,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 15 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Branch1][P][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][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][O][F] | O=C(N[Dy])c1ccc(Nc2nc(NCC3(CO)CC4C=CC3C4)nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3)n2)cc1F | [
2,
2668,
1311,
424,
435,
1286,
2091,
1415,
2790,
2451,
1931,
422,
1331,
1623,
1274,
422,
1318,
2146,
1536,
1327,
429,
432,
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,
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
] | 23 |
[C][N][C][C][N][Branch2][Branch1][Ring2][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][N][Ring1][=Branch2][C][C][O][=N][Ring2][Ring1][N][C][C][Ring2][Ring2][#Branch1] | CN1CCN(C(=O)CCNc2nc(Nc3ccccc3C#N)nc(Nc3c(C(=O)N[Dy])cnn3CCO)n2)CC1 | [
2,
420,
2381,
1459,
1499,
1274,
1565,
2910,
1802,
1368,
1385,
1343,
1475,
1289,
1285,
2111,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 17 |
[C][=C][Branch1][C][Cl][C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][N][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | C=C(Cl)CNc1nc(Nc2cncc(C(=O)OC)c2)nc(Nc2cc(I)ccc2C(=O)N[Dy])n1 | [
2,
1275,
1501,
1341,
1812,
1883,
1346,
1766,
1284,
451,
421,
1325,
1339,
425,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 15 |
[C][N][N][=C][C][=C][Ring1][Branch1][C@@H1][O][C][C][C@H1][Ring1][Branch1][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][=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][=N] | Cn1nccc1[C@@H]1OCC[C@H]1CNc1nc(NCc2cn(C)c(=O)[nH]c2=O)nc(N[C@H](C(=O)N[Dy])C2CCCCC2)n1 | [
2,
1633,
1315,
1291,
423,
440,
1307,
441,
1463,
2051,
1680,
1783,
2052,
1361,
1667,
1399,
2058,
1411,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Br][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Br][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] | O=C(N[Dy])c1ccc(Nc2nc(Nc3nccnc3Br)nc(Nc3nccnc3Br)n2)cc1 | [
2,
2668,
1311,
424,
435,
1286,
2186,
1429,
1401,
2294,
1954,
2294,
1784,
1720,
425,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][O][C][Branch2][Ring2][Branch2][C][N][C][=N][C][Branch1][#Branch2][N][C][C][N][=C][O][N][=Ring1][Branch1][=N][C][Branch1][S][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][=Branch1][C][C][C][C][O][C][Ring1][=Branch1] | COC(CNc1nc(NCc2ncon2)nc(NC2(C(=O)N[Dy])CCC2)n1)C1CCCOC1 | [
2,
1330,
1677,
420,
1778,
2830,
1386,
1279,
1302,
2339,
1784,
1399,
1834,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 14 |
[C][O][C][=C][C][=C][C][Branch2][Ring2][=C][N][C][=N][C][Branch1][S][N][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][=N][C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy] | COc1cccc(Nc2nc(NCc3nc(C)c(C)o3)nc(Nc3nc4c(s3)CCCC4)n2)c1C(=O)N[Dy] | [
2,
1474,
1514,
1608,
2153,
1815,
2390,
2418,
2573,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 10 |
[C][C][=C][S][C][Branch2][Branch1][#Branch1][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][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][S][=N][Ring2][Ring2][=Branch1] | Cc1csc(Nc2nc(Nc3ccc(C(=O)N[Dy])cn3)nc(Nc3ccccc3CN3CCN(C)CC3)n2)n1 | [
2,
1319,
1337,
1483,
2474,
1368,
1465,
1353,
1754,
1782,
1424,
1690,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 13 |
[C][C][Branch1][C][O][Branch2][Ring2][O][C][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=N][C][Branch1][S][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1][C][N][C][C][O][C][C][Ring1][=Branch1] | CC(O)(CNc1nc(Nc2cnc(Cl)nc2)nc(NC2(C(=O)N[Dy])CCC2)n1)CN1CCOCC1 | [
2,
1274,
1511,
1304,
1294,
1374,
2434,
1386,
1279,
1302,
2339,
1447,
420,
1467,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 15 |
[O][=C][Branch2][Branch1][#C][C][C@@H1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#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][Branch1][#C][N][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][=N][N][Dy] | O=C(C[C@@H](Cc1cccc(F)c1)Nc1nc(NCCC(=O)NCc2ccncc2)nc(NCC(=O)Nc2nccs2)n1)N[Dy] | [
2,
2668,
1306,
1336,
440,
423,
425,
2270,
1712,
2479,
2191,
1968,
2958,
1289,
1385,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 17 |
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][=N][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring2] | COC(=O)c1cc(O)cc(Nc2nc(NCC3(O)CCCC3)nc(Nc3cc(C(=O)O)cc(C(=O)N[Dy])c3)n2)c1 | [
2,
1621,
2590,
1459,
2586,
2058,
1484,
1317,
1497,
1278,
429,
1570,
1641,
1821,
427,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][C][O][C][=C][C][=N][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][O][=C][Ring2][Ring2][C] | CCOc1ccnc(Nc2nc(Nc3cnccn3)nc(N[C@@H](CC(=O)N[Dy])c3ccc(F)cc3)n2)c1 | [
2,
1561,
1276,
1500,
1445,
2893,
1408,
1518,
1407,
1286,
1515,
1823,
420,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 14 |
[O][=C][Branch2][Branch1][C][C][C@H1][C][C][C][N][Ring1][Branch1][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=N][C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][Ring2][Ring1][#Branch2][N][Dy] | O=C(C[C@H]1CCCN1c1nc(NCc2ccc(F)nc2)nc(NCc2nc3ccccc3o2)n1)N[Dy] | [
2,
2668,
2113,
441,
1715,
1463,
1351,
1367,
2344,
2517,
1377,
1809,
1355,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[O][=C][Branch2][=Branch1][Ring2][C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][S][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][C][=Branch1][C][=O][NH1][NH1][C][=Branch1][C][=O][C][Ring1][N][=Ring1][Branch2][=N][Ring2][Ring1][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Dy] | O=C(CC(Nc1nc(NCCCN2C(=O)CCC2=O)nc(Nc2cccc3c(=O)[nH][nH]c(=O)c23)n1)c1ccc(Br)cc1)N[Dy] | [
2,
2668,
2196,
1274,
1459,
2301,
2244,
2012,
2794,
1379,
1286,
1323,
1325,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][C][Branch2][Branch1][Branch1][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][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][O][C][Branch1][C][C][Branch1][C][C][C] | CC(CNc1nc(NCc2nccn2-c2ccccc2)nc(N[C@@H](Cc2cscn2)C(=O)N[Dy])n1)OC(C)(C)C | [
2,
1274,
2307,
2547,
2825,
1361,
1518,
1326,
1319,
1337,
425,
1463,
1287,
1394,
1650,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][C][C][C@H1][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2][=N][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][Ring1] | CC(=O)c1ccc(C[C@H](Nc2nc(Nc3ccncn3)nc(Nc3cc(Cl)nc(Cl)n3)n2)C(=O)N[Dy])cc1 | [
2,
1703,
2113,
1400,
431,
1445,
2948,
1386,
2961,
1854,
2561,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=N][N][C][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][=C][C][=C][Ring2][Ring2][Ring1][C] | COC(=O)c1cc(Nc2nc(NCc3cnccc3OC)nc(Nc3ncc(Br)nc3C(=O)N[Dy])n2)ccc1C | [
2,
1621,
1514,
2608,
1333,
1294,
1361,
1401,
1323,
1446,
1339,
1315,
1327,
2013,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 15 |
[C][C][=N][N][Branch2][Branch1][#Branch2][C][C][N][C][=N][C][Branch1][#C][N][C][C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][O][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][Ring2][Ring1][S][C][Branch1][C][C][=C][Ring2][Ring2][=Branch2][Cl] | Cc1nn(CCNc2nc(NCC3CN4CCN3CC4)nc(N[C@H](CC(=O)N[Dy])c3cccc([N+](=O)[O-])c3)n2)c(C)c1Cl | [
2,
1274,
1385,
1538,
1274,
1958,
1285,
1917,
2058,
1656,
1634,
1407,
1473,
1448,
1479,
2157,
1288,
2690,
437,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 20 |
[C][O][C][O][C][C][C][N][C][=N][C][Branch2][Ring1][P][N][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][Branch1][C][C][C][=N][C][Branch1][P][N][C@H1][C][=C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring2][C] | COCOCCCNc1nc(Nc2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)nc(N[C@H]2C=C[C@@H](C(=O)N[Dy])C2)n1 | [
2,
1330,
1925,
2001,
2135,
1506,
1410,
1332,
1378,
1634,
1275,
440,
1368,
1343,
1597,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch2][Ring2][=N][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][Branch1][S][N][C][=N][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][N][C][=N][Ring2][Ring2][#Branch1] | COc1cc(C(=O)N[Dy])c(Nc2nc(NCc3ccc4scnc4c3)nc(Nc3nccc4cccnc34)n2)cn1 | [
2,
1505,
1542,
2048,
1337,
1276,
1762,
1386,
1725,
1926,
1308,
1814,
1719,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 14 |
[C][C][=C][N][Branch2][=Branch1][=Branch2][C][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][=C][N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][=N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring2][Branch2][C][=N][Ring2][Ring2][=N] | Cc1cn(-c2cc(Nc3nc(Nc4cccc([N+](=O)[O-])c4C(=O)N[Dy])nc(Nc4nc(Cl)ncc4C)n3)cc(C(F)(F)F)c2)cn1 | [
2,
1319,
424,
1487,
434,
1293,
1449,
1624,
1342,
1448,
1479,
1290,
2513,
2279,
1411,
2059,
1877,
420,
1322,
425,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 21 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch1][S][N][C][=C][N][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][N] | O=C(N[Dy])[C@H](Cc1ccccc1F)Nc1nc(NCc2ccc(-c3nnn[nH]3)cc2)nc(Nc2cnc(Cl)c(Cl)c2)n1 | [
2,
2668,
1311,
424,
435,
441,
423,
1521,
432,
1947,
2971,
1386,
2230,
1771,
1480,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][=O][=N][C][Branch2][Ring1][#C][N][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2] | Cc1nc(Cl)ccc1Nc1nc(Nc2ccc3c(c2)CNC3=O)nc(N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[Dy])n1 | [
2,
1274,
1276,
1478,
1325,
2487,
1983,
2287,
1634,
1283,
427,
1357,
1619,
1291,
1397,
1536,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 17 |
[C][C][Branch1][C][C][C][N][C][=N][C][=C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring2][O][Ring2][Ring2][=C] | CC(C)Cn1cnc2c(Nc3nc(NCc4cn5cc(Cl)ccc5n4)nc(Nc4cccc([N+](=O)[O-])c4C(=O)N[Dy])n3)nc3ccccc3c21 | [
2,
1274,
1332,
1401,
1510,
2500,
2426,
1408,
1342,
1448,
1479,
1339,
433,
1315,
1473,
1308,
2505,
1300,
421,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 20 |
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring1] | CS(=O)(=O)NC(=O)CCNc1nc(NCc2ccccc2N2CCOCC2)nc(N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[Dy])n1 | [
2,
1920,
1387,
1274,
1849,
1405,
1467,
1466,
1697,
421,
1357,
1863,
2585,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 14 |
[C][C][=C][C][Branch2][Branch1][C][C][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][#C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch1][=N][Ring2][Ring1][O][=C][Branch1][C][C][O][Ring2][Ring2][Ring1] | Cc1cc(CNc2nc(NCCc3c[nH]c4cc(Cl)ccc34)nc(NC3(C(=O)N[Dy])CC3)n2)c(C)o1 | [
2,
1349,
2113,
2374,
2938,
1383,
1279,
1302,
1520,
1356,
421,
1288,
429,
1995,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 15 |
[C][#C][C][C@@][Branch1][C][C][Branch2][Ring2][=Branch1][N][C][=N][C][Branch1][#Branch2][N][C][C][=N][C][=C][S][Ring1][Branch1][=N][C][Branch1][#C][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][=N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy] | C#CC[C@@](C)(Nc1nc(NCc2nccs2)nc(Nc2cc(OC)ccc2O)n1)C(=O)N[Dy] | [
2,
1591,
1910,
2516,
1530,
1383,
1993,
429,
1710,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 10 |
[C][C][=N][N][=C][N][Ring1][Branch1][C][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][N][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][Ring2][Ring2][Ring2] | Cc1nncn1CCCNc1nc(Nc2cccc3c(=O)[nH][nH]c(=O)c23)nc(N[C@@H](CC(=O)N[Dy])Cc2ccc([N+](=O)[O-])cc2)n1 | [
2,
1274,
1757,
424,
2285,
1454,
1303,
2794,
2155,
1518,
1407,
1357,
1448,
1568,
1536,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][=C][N][C][=N][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][Br][=N][Ring2][Ring1][O][C][Ring2][Ring2][C][=N][Ring2][Ring2][=Branch1] | Cc1ccc2cccc(Nc3nc(Nc4cnc(Cl)cc4C(=O)N[Dy])nc(Nc4nc(=O)[nH]cc4Br)n3)c2n1 | [
2,
1319,
1286,
1275,
1500,
1359,
1428,
1470,
1290,
1905,
1494,
2341,
1811,
2445,
1690,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][O][C][=Branch1][C][=O][C][=C][NH1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][C][=N][C][Branch1][#C][N][C][C][=C][N][=C][Branch1][Ring1][O][C][C][=N][Ring1][Branch2][=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][O] | COC(=O)c1c[nH]c(C(=O)OC)c1Nc1nc(NCc2cnc(OC)cn2)nc(NC2(C(=O)N[Dy])CCOCC2)n1 | [
2,
2408,
1373,
1883,
1568,
1364,
1615,
2373,
1371,
1279,
1302,
1785,
1344,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 15 |
[C][C][=C][C][=C][Branch2][Ring2][#C][C][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=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][#Branch2][C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][=C][Ring2][Ring2][Branch2] | Cc1ccc(CNc2nc(Nc3cnc(Cl)cn3)nc(N[C@H](C(=O)N[Dy])C3CCCCC3)n2)c(OC2CCOC2)c1 | [
2,
1357,
2550,
1374,
2805,
1361,
1667,
1399,
2058,
2613,
1326,
1307,
1330,
1316,
1877,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][N][C][C][N][Branch2][Branch1][=C][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][#Branch2][=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][Ring1][P][C][C][Ring2][Ring2][N] | CN1CCN(C(=O)CCNc2nc(NCC3CCN(CC(F)F)CC3)nc(Nc3cc4ccccc4cc3C(=O)N[Dy])n2)CC1 | [
2,
420,
2381,
1306,
1305,
1278,
1274,
1359,
2242,
1907,
1350,
2232,
2012,
1405,
1346,
1339,
439,
1274,
1300,
424,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 21 |
[N][#C][C][=C][C][=C][Branch2][Branch1][P][C][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=N] | N#Cc1ccc(C[C@@H](CC(=O)N[Dy])Nc2nc(NCc3nc4ccccc4c(=O)[nH]3)nc(NCc3ccncc3C(F)(F)F)n2)cc1 | [
2,
424,
438,
1286,
2091,
1713,
1407,
2432,
2897,
1361,
2982,
1394,
1327,
425,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 15 |
[C][O][C][Branch2][Branch1][=N][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][Ring1][N][=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][C][O][C][Ring1][Branch1] | COC(CNc1nc(Nc2nc(-c3ccccc3C)cs2)nc(Nc2c(C(=O)N[Dy])cc(Cl)c(Br)c2F)n1)C1CCOC1 | [
2,
1330,
2571,
1354,
2355,
1275,
433,
1410,
1484,
1318,
1302,
1275,
1501,
1323,
1472,
432,
1439,
2564,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][C][S][C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][C][Branch1][C][F][C][C][O][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring1][P] | COc1ccc(Nc2nc(NCC3(O)CCSC3)nc(NCC3(F)CCOC3)n2)c(C(=O)N[Dy])c1 | [
2,
1334,
1772,
2586,
1337,
1308,
2141,
2932,
2605,
1302,
1966,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][N][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=C][O][N][=Ring1][Branch1][=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][Ring2][Ring1][N][=N][Ring2][Ring2][Ring1] | O=C(N[Dy])c1cncc(Nc2nc(NCc3ccon3)nc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)n1 | [
2,
2668,
1311,
424,
435,
2023,
1491,
2551,
2331,
1466,
2302,
1464,
1616,
1765,
1480,
1490,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 17 |
[C][C][O][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][#C][N][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=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] | CCON(C)C(=O)CNc1nc(Nc2ccoc2C(=O)OC)nc(N2Cc3ccccc3C[C@H]2C(=O)N[Dy])n1 | [
2,
1475,
1680,
1691,
1364,
2523,
1524,
1810,
1406,
1941,
441,
1344,
1339,
421,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 15 |
[C][N][C][C][O][C@@H1][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][O][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][=C][C@@H1][Ring2][Ring2][=Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | CN1CCO[C@@H](CNc2nc(Nc3cnc(Cl)nc3)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc(Cl)c(Cl)c3)n2)[C@@H]1c1cnn(C)c1 | [
2,
420,
1285,
429,
440,
2414,
1374,
2434,
1656,
1518,
1407,
1357,
1501,
1771,
1379,
440,
2074,
2081,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][O][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2] | O=C(N[Dy])[C@H](Cc1cccs1)Nc1nc(Nc2ccc(-c3ncc[nH]3)cc2)nc(Nc2cc(O)ccn2)n1 | [
2,
2668,
1311,
424,
435,
441,
1326,
1357,
1530,
1820,
2810,
1851,
1511,
1987,
1355,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][=C][C][C][Branch1][Ring2][C][C][=C][Branch2][Branch1][=N][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][Ring1][C][O][=C][C][=N][Ring1][Branch2][=N][C][Branch2][Ring1][P][N][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][Branch1][C][C][C][=N][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy] | C=CCC(CC=C)(Nc1nc(Nc2cc(CO)ccn2)nc(Nc2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1)C(=O)N[Dy] | [
2,
1602,
1861,
2636,
2559,
2254,
1874,
2135,
1506,
1410,
1332,
1963,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 13 |
[C][C][=C][C][Branch2][Branch1][C][C][N][C][=N][C][Branch1][S][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=C][Branch1][C][C][NH1][Ring2][Ring2][Branch1] | Cc1cc(CNc2nc(NCCCNC(=O)C3CCC3)nc(N[C@@H](Cc3cscn3)C(=O)N[Dy])n2)c(C)[nH]1 | [
2,
1349,
2113,
2301,
2364,
1361,
1518,
1326,
1319,
1337,
425,
1463,
1287,
1411,
421,
1288,
442,
2082,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][C][=C][C][=C][Branch2][Ring2][#C][C][N][C][=N][C][Branch1][=N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][F][=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][N][=C][Ring2][Ring2][Ring2][C] | Cc1ccc(CNc2nc(NCCc3ccncc3F)nc(Nc3ccc(C(=O)N[Dy])cc3F)n2)nc1C | [
2,
1357,
2550,
1610,
1558,
432,
1544,
1593,
432,
1480,
1611,
427,
420,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 14 |
[N][C][=Branch1][C][=O][C][C][C][N][Branch2][Branch1][#C][C][=N][C][=C][C][=C][Ring1][=Branch1][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][#Branch1][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][=N][Ring2][Ring1][=C][C][C][Ring2][Ring2][N] | NC(=O)C1CCN(c2ncccc2CNc2nc(NCc3cc(F)cc(F)c3)nc(Nc3cccc(C(=O)N[Dy])c3C(=O)O)n2)CC1 | [
2,
1387,
1715,
1306,
1336,
425,
1522,
2136,
1982,
1408,
1342,
1302,
1369,
1499,
429,
1379,
1274,
1300,
424,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 20 |
[C][C][N][C][=C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][=N][N][C][C][C][N][C][=Branch1][C][=O][C][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][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][Branch1][C][C][=N][Ring2][Ring2][Ring2] | CCn1cc(Nc2nc(NCC3CNC(=O)C3)nc(N[C@H](CC(=O)N[Dy])Cc3ccc(F)cc3)n2)c(C)n1 | [
2,
1274,
1318,
1449,
2132,
1576,
1308,
1466,
1634,
1407,
1357,
1515,
1460,
1288,
1536,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][S][N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring2][Ring1][=C] | C=C(C)C(=O)NCCNc1nc(Nc2cccc(OC)c2C(=O)N[Dy])nc(Nc2nccnc2C(=O)OC)n1 | [
2,
2401,
1464,
2536,
1382,
2079,
2439,
1816,
1810,
1379,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][=C][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][=N][C][Branch2][Ring1][#C][N][C@H1][Branch2][Ring1][Ring2][C][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] | Cc1cc(Cl)ncc1Nc1nc(NCC(=O)NC2CCC2)nc(N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[Dy])n1 | [
2,
1763,
425,
1325,
1562,
1866,
1557,
2287,
1634,
1283,
427,
1357,
1468,
1346,
1339,
433,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 17 |
[C][O][C][=C][C][=C][Branch2][Ring2][=N][N][C][=N][C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][N][=C][Ring2][Ring1][S] | COc1ccc(Nc2nc(Nc3cn[nH]c3)nc(Nc3c(F)cc(Br)cc3C(=O)N[Dy])n2)nc1 | [
2,
1334,
1542,
1599,
1370,
1373,
1402,
1418,
1301,
2177,
1455,
434,
1315,
1413,
433,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][O][C][C][C][C][Branch2][Branch1][N][C][C][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][N][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2][=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][C][C][C][Ring2][Ring2][O] | COC1CCC(CCNc2nc(Nc3ccc4ncoc4c3)nc(Nc3cccc(-c4cccc(C(=O)N[Dy])c4)c3O)n2)CC1 | [
2,
1643,
1274,
1306,
1285,
2007,
2998,
1699,
2313,
439,
1473,
1302,
1369,
2459,
429,
1322,
1313,
1300,
429,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 20 |
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][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][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | CCOC(=O)c1cccnc1Nc1nc(NCc2cccc3c2OCO3)nc(Nc2cccc(F)c2C(=O)N[Dy])n1 | [
2,
1508,
1687,
1340,
2902,
1361,
1939,
1339,
425,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 10 |
[C][C][=N][N][=C][Branch2][Branch1][C][N][C][=N][C][Branch1][=Branch2][N][C][C][C][Branch1][C][C][O][=N][C][Branch2][Ring1][O][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][Ring2][Ring1][N][O][Ring2][Ring2][C] | Cc1nnc(Nc2nc(NCCC(C)O)nc(N[C@H](CC(=O)N[Dy])c3cccc([N+](=O)[O-])c3)n2)o1 | [
2,
1274,
1757,
1481,
1599,
1790,
429,
1656,
1634,
1407,
1473,
1448,
1479,
1480,
429,
2445,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 17 |
[O][=C][C][S][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][=N][N][C][C][=C][C][Branch1][C][Br][=N][O][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][O][=N][Ring2][Ring1][P] | O=C1CSC(Nc2nc(NCc3cc(Br)no3)nc(N3c4ccccc4C[C@H]3C(=O)N[Dy])n2)=N1 | [
2,
429,
1305,
1337,
1500,
1374,
1434,
1323,
2457,
1671,
1452,
441,
1343,
1339,
429,
1439,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 17 |
[O][=C][Branch2][#Branch1][Ring2][C][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=N][C][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][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][P][N][Dy] | O=C(C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1nc(NCCc2ccc(N3CCOCC3)c(F)c2)nc(Nc2ccc([N+](=O)[O-])c(Br)c2)n1)N[Dy] | [
2,
2668,
428,
431,
427,
1713,
1283,
427,
1357,
1468,
1346,
2102,
1286,
2066,
1671,
2907,
1439,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 20 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][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][P][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1][=N][Ring2][Ring2][Branch1] | O=C(N[Dy])c1ccccc1C(=O)c1ccccc1Nc1nc(NCC2CCCn3ccnc32)nc(Nc2ccc(N3CCC=C(N4CCOCC4)C3=O)cc2)n1 | [
2,
2668,
1311,
424,
435,
2112,
1278,
1377,
1340,
1540,
1318,
1321,
2333,
1874,
2874,
1652,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 17 |
[C][S][=Branch1][C][=O][C][C][C][C][N][C][=N][C][Branch1][#Branch2][N][C][=C][N][=C][N][=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][#Branch2] | CS(=O)CCCCNc1nc(Nc2cncnc2)nc(N2C3CCCCC3C[C@@H]2C(=O)N[Dy])n1 | [
2,
420,
1391,
1399,
1445,
2918,
1363,
1635,
1372,
440,
1343,
1339,
436,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 14 |
[C][C][=C][C][Branch2][Branch1][S][C][N][C][=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][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][Ring2][Ring2][C][=C][Branch1][C][C][O][Ring2][Ring2][#Branch2] | Cc1cc(CNc2nc(NC[C@H]3C[C@H](c4nnc(C(C)C)[nH]4)C[C@H]3O)nc(Nc3cc(Cl)cc(C(=O)N[Dy])c3)n2)c(C)o1 | [
2,
1349,
1306,
1337,
1927,
1952,
1674,
423,
1336,
1757,
1497,
1332,
2128,
1674,
422,
1523,
1406,
1686,
1579,
1322,
1676,
429,
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,
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
] | 24 |
[C][#C][C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][N][C][=N][C][Branch1][S][N][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][=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][N][C][=C][Ring2][Ring2][Ring2] | C#CCOc1ccc(CNc2nc(NCc3nc(C)c(C)o3)nc(Nc3cc(C(=O)N[Dy])c(Br)cc3C)n2)cc1 | [
2,
1831,
1655,
1284,
1608,
2153,
1815,
2002,
2589,
1996,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][C][=C][C][=C][C][=C][C][=C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][=Branch2][N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][N][Cl][=N][Ring2][Ring1][#C][C][Ring2][Ring2][=Branch1][=N][Ring2][Ring2][#Branch2] | Cc1ccc2cccc(Nc3nc(Nc4ccc5ncccc5c4)nc(Nc4c(Cl)c(Cl)nc(C(=O)N[Dy])c4Cl)n3)c2n1 | [
2,
1319,
1286,
1275,
1483,
2005,
2919,
1484,
1318,
1501,
1309,
1276,
1302,
1472,
437,
2020,
2074,
2193,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[O][=C][Branch2][Branch1][Branch2][C][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][#Branch2][N][C][C@@H1][C][C][C][O][Ring1][Branch1][=N][C][Branch1][P][N][C][C@@H1][C][C][O][C@H1][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][=N][Ring2][Ring1][=Branch2][N][Dy] | O=C(C[C@H](Cc1ccc(F)cc1)Nc1nc(NC[C@@H]2CCCO2)nc(NC[C@@H]2CCO[C@H]2c2cn[nH]c2)n1)N[Dy] | [
2,
2668,
1496,
1674,
423,
2029,
1515,
1445,
1498,
1845,
1316,
1378,
2024,
441,
1528,
2253,
1375,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 20 |
[C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][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][S][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2][=N][Ring2][Ring1][O] | Cc1cc(C(=O)N[Dy])ccc1Nc1nc(NCCS(=O)Cc2ccccc2)nc(Nc2ncc([N+](=O)[O-])s2)n1 | [
2,
1818,
1492,
1391,
1755,
2439,
3025,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 9 |
[C][O][C][=C][N][=C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch1][=C][N][C][C][Branch1][Ring1][O][C][C][C][O][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][Ring1][#C][N][=C][Ring2][Ring2][=Branch1] | COc1cnc(Nc2nc(NCC3(OC)CCOC3)nc(Nc3c(OC(F)(F)F)cccc3C(=O)N[Dy])n2)nc1 | [
2,
2392,
1483,
1562,
1360,
1330,
1312,
1656,
1318,
1388,
2699,
1286,
1419,
1339,
438,
1611,
426,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 18 |
[C][C][=C][N][=C][Branch2][Branch1][=C][C][N][C][=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][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][O][Ring2][Ring2][=Branch2] | Cc1cnc(CNc2nc(Nc3ccc(Cn4ccnc4)cc3)nc(Nc3cc(C(=O)N[Dy])ccc3C(F)(F)F)n2)o1 | [
2,
2143,
1306,
1305,
1770,
3004,
1512,
1317,
1584,
1437,
1322,
1310,
2027,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 14 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][Ring2][Ring1][O][C][C][=C][S][C][=Ring1][Branch1] | O=C(N[Dy])[C@@H](Nc1nc(Nc2ccc3ncccc3c2)nc(Nc2nc3ccccc3[nH]2)n1)c1ccsc1 | [
2,
2668,
1311,
424,
435,
440,
1549,
2005,
2919,
2442,
442,
1343,
1289,
1456,
1682,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][=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][=N][Ring2][Ring2][Branch2] | COc1cc(C)c(Nc2nc(Nc3cccc(N4CCOCC4)c3)nc(N3C4CCCCC4C[C@@H]3C(=O)N[Dy])n2)cn1 | [
2,
1423,
1425,
1483,
2536,
2210,
1363,
1635,
1372,
440,
1343,
1339,
1337,
1865,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 15 |
[C][S][C][=C][C][=C][Branch2][Branch1][=N][C][N][C][=N][C][Branch2][Ring1][O][N][C][C@H1][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Ring1][#Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=N][C][Branch2][Ring1][C][N][C@H1][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch2][=N][Ring2][Ring1][P][C][=C][Ring2][Ring2][=Branch2][C][#N] | CSc1ccc(CNc2nc(NC[C@H]3CC(=O)N(C)[C@@H]3c3cnn(C)c3C)nc(N[C@H]3CC[C@H](C(=O)N[Dy])CC3)n2)cc1C#N | [
2,
2626,
1286,
2571,
1927,
2607,
1288,
440,
1312,
1274,
2351,
1371,
1634,
2460,
1302,
2232,
1439,
1959,
1392,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 20 |
[N][#C][C][=C][C][=N][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][P][N][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][Branch2][=N][C][Branch2][Ring1][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][=C][Ring2][Ring2][Branch1] | N#Cc1ccnc(Nc2nc(NCC3CCN(C(N)=O)C3)nc(N[C@H](CCC3CCCCC3)C(=O)N[Dy])n2)c1 | [
2,
424,
438,
1293,
1276,
1459,
1909,
2144,
1548,
1688,
1406,
1634,
1962,
1399,
1274,
1372,
1287,
1379,
1897,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 20 |
[C][O][C][Branch1][C][C][Branch2][Branch1][O][C][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][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][C][C][C][Ring1][Ring1] | COC(C)(CNc1nc(Nc2ccc3c(c2)COC3=O)nc(N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[Dy])n1)C1CC1 | [
2,
1330,
1288,
2466,
2487,
2718,
1484,
1331,
441,
1463,
1280,
1313,
441,
1463,
1287,
1439,
1575,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 18 |
[C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=C][NH1][C][=N][C][Ring1][Branch1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][=N][Ring2][Ring1][#C][S][Ring2][Ring2][#Branch1] | Cc1cc(C#N)c(Nc2nc(Nc3nc(Cl)c4[nH]cnc4n3)nc(Nc3cccc(C(=O)N[Dy])c3C(=O)O)n2)s1 | [
2,
1349,
2367,
1496,
1341,
2444,
2104,
2103,
1408,
1342,
1302,
1369,
1499,
429,
1394,
433,
2111,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 18 |
[C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][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][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][O] | Cc1cc(C(=O)N[Dy])ccc1Nc1nc(NCc2ccc3c(c2)CC(=O)N3C)nc(Nc2cccnc2F)n1 | [
2,
1818,
1454,
1563,
2110,
1896,
2086,
2462,
432,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][O][C][=N][C][=C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][C][F][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][#Branch2][=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][Ring1][S][C][=N][Ring2][Ring2][#Branch1] | COc1ncc(Nc2nc(Nc3cc(F)c(OC)c(F)c3)nc(Nc3cc4ccccc4cc3C(=O)N[Dy])n2)cn1 | [
2,
1330,
1433,
1510,
2698,
1564,
1360,
1301,
1369,
2012,
1405,
1346,
1339,
1337,
1719,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 16 |
[C][S][=Branch1][C][=O][C][C][Branch1][C][O][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][=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][#C] | CS(=O)CC(O)CNc1nc(NCc2cccc(N3CCOCC3)c2)nc(N[C@@H](C(=O)N[Dy])C2CCCC2)n1 | [
2,
420,
2651,
1488,
1965,
2210,
1371,
1518,
1302,
1547,
1316,
1394,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 13 |
Subsets and Splits