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][O][C][=C][C][=N][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][#Branch2][N][C][C][N][=C][O][N][=Ring1][Branch1][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][=C][S][Ring1][#C][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2] | CCOc1ccnc(Nc2nc(NCc3ncon3)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)c1 | [
2,
1561,
1276,
1449,
1778,
2830,
1656,
1366,
1286,
1593,
1560,
422,
438,
2452,
3
] | [
0,
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0,
0,
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0,
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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][C][Branch1][C][Cl][=C][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][#C][N][C][=N][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=N][Ring2][Ring1][=N][C][Branch1][C][Cl][=N][Ring2][Ring2][=Branch1] | Cc1nc(Cl)c(Nc2nc(Nc3cc(F)cc(F)c3C(=O)N[Dy])nc(Nc3ncc(C#N)cc3C)n2)c(Cl)n1 | [
2,
1274,
1276,
1478,
1449,
2577,
1982,
1290,
1383,
1401,
1863,
420,
1460,
1309,
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][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][Ring1][Branch2][=N][C][Branch1][P][N][C@H1][C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][N] | CN(CC(F)(F)F)C(=O)CNc1nc(Nc2ccc3c(c2)C(O)CCC3)nc(N[C@H]2CC[C@@H](C(=O)N[Dy])C2)n1 | [
2,
1633,
1388,
2671,
1499,
420,
1416,
1736,
2823,
1378,
1634,
1274,
440,
1368,
1343,
1480,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
1,
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0,
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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,
1,
1,
1,
1,
1,
1
] | 17 |
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Br][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][S][=C][Ring2][Ring2][O] | COc1ccc(C(=O)N[Dy])c(Nc2nc(NCc3ccccc3CS(=O)(=O)N3CCOCC3)nc(Nc3cc(Br)ccn3)n2)c1 | [
2,
1673,
1516,
1927,
3017,
1851,
1323,
1987,
1424,
2505,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][N][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][O][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][O][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring2][#Branch1] | O=C(N[Dy])c1ccc(Nc2nc(Nc3ccc(N4CCOCC4)cn3)nc(Nc3cc(O)ccn3)n2)c(OC(F)(F)F)c1 | [
2,
2668,
1311,
424,
435,
1286,
1500,
1770,
2769,
1851,
1511,
1987,
1811,
1388,
2699,
2276,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
1,
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0,
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0,
0,
0,
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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][O][C][C@@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][S][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Dy] | O=C(C[C@@H](Nc1nc(NCCCNC(=O)C2CCC2)nc(Nc2cc(Cl)ccc2F)n1)c1cccc(Cl)c1)N[Dy] | [
2,
2668,
2466,
440,
1543,
2301,
2364,
2491,
2387,
1355,
1473,
1309,
1430,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][=C][C][C][Branch1][Ring2][C][C][=C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch1][P][N][C][C][=C][C][Branch1][C][C][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy] | C=CCC(CC=C)(Nc1nc(NCc2cc(C)nc(Cl)c2)nc(Nc2ccc3c(c2)oc2ccccc23)n1)C(=O)N[Dy] | [
2,
1602,
1516,
2136,
1288,
2163,
1408,
3028,
1600,
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][C][=C][Ring1][Branch1][C][N][C][=N][C][Branch1][=C][N][C][C][C][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][Cl][=N][Ring2][Ring1][O] | CCn1nccc1CNc1nc(NCC2CCC3CC3C2)nc(Nc2cc(C(=O)N[Dy])ccc2Cl)n1 | [
2,
1274,
2138,
1669,
2078,
2985,
1766,
1584,
437,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
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0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][C][=N][N][=C][Branch2][Branch1][=Branch1][C][C][C][N][C][=N][C][Branch1][#C][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][O][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][S][Ring2][Ring2][=Branch1] | Cc1nnc(CCCNc2nc(Nc3cc(Br)ccc3CO)nc(Nc3cc(F)c(F)cc3C(=O)N[Dy])n2)s1 | [
2,
1274,
1757,
1516,
1313,
1364,
1317,
2956,
1773,
1839,
1455,
2625,
2074,
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][O][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][=N][N][C][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2] | CCON(CC)C(=O)CNc1nc(NCC2CNC(=O)C2)nc(Nc2c(Br)cccc2C(=O)N[Dy])n1 | [
2,
1475,
424,
1311,
1313,
1691,
2132,
1576,
1308,
1361,
1318,
1323,
1525,
1339,
436,
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][Branch2][Branch1][=C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][F][=N][C][Branch2][Ring1][=Branch2][N][C][=N][NH1][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=N][Ring1][#Branch2][=N][Ring2][Ring1][P][=C][C][=N][Ring2][Ring2][Branch2] | CCOc1cc(Nc2nc(Nc3ccc(F)c(C(=O)N[Dy])c3F)nc(Nc3n[nH]c4c(Cl)cc([N+](=O)[O-])cc34)n2)ccn1 | [
2,
1561,
1948,
1454,
1574,
1302,
1376,
432,
1484,
1653,
2520,
1275,
1448,
1291,
1465,
1439,
1305,
1865,
3
] | [
0,
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0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
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0,
0
] | [
1,
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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
] | 19 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][Br][=C][C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][=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][=C][Ring2][Ring2][=Branch2] | O=C(N[Dy])c1cc(Br)cc(Nc2nc(NCC(c3cccc(F)c3)N3CCOCC3)nc(Nc3ccc([N+](=O)[O-])c(Br)c3)n2)c1 | [
2,
2668,
1311,
424,
435,
1293,
1323,
1305,
1789,
1598,
1711,
1939,
1467,
1671,
2907,
1439,
2690,
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,
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] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][N][C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring2][Branch2][=O] | Cn1c(Nc2nc(Nc3ccc4c(cnn4C)c3)nc(Nc3ccc([N+](=O)[O-])cc3C(=O)N[Dy])n2)cc(=O)n(C)c1=O | [
2,
420,
1279,
1496,
2388,
420,
1385,
2309,
1408,
1303,
1448,
1568,
1339,
438,
1305,
1924,
2195,
430,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
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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
] | 19 |
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Branch1][O][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][O][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][=N][Ring2][Ring1][#C][=N][Ring2][Ring2][Branch2] | Cc1ccc(C)c(CNc2nc(NCc3cc4n(n3)CCCO4)nc(Nc3ccc(C(=O)N[Dy])c([N+](=O)[O-])c3)n2)n1 | [
2,
1357,
1332,
2466,
1415,
1679,
1395,
1531,
1288,
2056,
1484,
1303,
1368,
1448,
1641,
1394,
1865,
3
] | [
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0,
0,
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] | [
1,
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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
] | 18 |
[O][=C][Branch2][=Branch1][O][C][C][Branch2][Branch1][O][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][Ring1][Branch1][=O][=N][C][Branch2][Ring1][Branch2][N][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][Ring2][Ring2][Ring2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Dy] | O=C(CC(Nc1nc(NCc2ccccc2CN2CCCC2=O)nc(NCC2CC(=O)N(Cc3ccccc3)C2)n1)c1ccc(Br)cc1)N[Dy] | [
2,
2668,
1487,
1307,
1704,
1354,
2885,
1466,
2751,
1536,
1286,
1323,
1325,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
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0,
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0,
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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][O][C][C][N][Ring1][=Branch1][C][C][N][C][=N][C][Branch1][O][N][C][C][C][=C][C][=N][O][Ring1][Branch1][=N][C][Branch2][Ring1][=C][N][C@@H1][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C] | CCC1COCCN1CCNc1nc(NCCc2ccno2)nc(N[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)N[Dy])n1 | [
2,
1399,
1307,
1917,
1274,
1775,
2917,
1606,
1518,
1283,
422,
1349,
2739,
1339,
421,
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][=C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][=C][N][C][C@@H1][C][C@@H1][C][=C][C@H1][Ring1][=Branch1][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][=C][C][=C][Ring2][Ring2][Branch1][C] | COC(=O)c1ccc(Nc2nc(NC[C@@H]3C[C@@H]4C=C[C@H]3C4)nc(N[C@H](CC(=O)N[Dy])Cc3ccc(Cl)cc3)n2)cc1C | [
2,
1554,
1459,
1358,
2237,
1275,
441,
2255,
1466,
1634,
1407,
1357,
1470,
1379,
1327,
1284,
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][Branch2][Ring2][=C][C][N][C][=N][C][Branch1][N][N][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][Br][=N][Ring2][Ring1][=Branch2][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | CC(CNc1nc(Nc2ccn(C)n2)nc(Nc2cc(C(=O)N[Dy])ccc2Br)n1)c1c(Cl)cccc1Cl | [
2,
1274,
1304,
1305,
1565,
2398,
2481,
1766,
1584,
443,
1375,
2520,
2702,
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][N][C][=C][Branch2][=Branch1][N][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=Branch2][=N][C][Branch2][Ring2][#Branch2][N][C][=N][C][=N][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][C][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1][=N][Ring2][Ring2][=Branch2][C][=Branch1][C][=O][NH1][C][Ring2][Branch1][C][=O] | Cn1cc(CNc2nc(NCC3(N4CCOCC4)CC3)nc(Nc3nc4ncc(CNc5ccc(C(=O)N[Dy])cc5)nc4c(=O)[nH]3)n2)c(=O)[nH]c1=O | [
2,
420,
1318,
1487,
1279,
1415,
1623,
1748,
1276,
1573,
1281,
1433,
1283,
2013,
1303,
1593,
1315,
1413,
2793,
427,
1312,
2011,
1499,
1373,
427,
1284,
430,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 28 |
[C][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][#C][N][C][C][N][C][C][S][=Branch1][C][=O][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch1] | Cc1cc(Cl)cc(Nc2nc(NCCN3CCS(=O)CC3)nc(N(C)[C@@H](CC3CCCCC3)C(=O)N[Dy])n2)c1 | [
2,
1763,
1305,
1459,
1489,
1285,
1391,
1520,
1779,
1998,
426,
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][=C][C][=C][Branch2][Branch1][C][C][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][N][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][#N][=N][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Branch1][C][#N] | COc1ccc(CNc2nc(Nc3cccc([N+](=O)[O-])c3C(=O)N[Dy])nc(Nc3ncncc3C#N)n2)cc1C#N | [
2,
1334,
2113,
1624,
1342,
1448,
1479,
1290,
2383,
2942,
1411,
1327,
1284,
448,
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][N][Branch2][Ring2][#C][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][Branch2][N][C][C][O][C][Ring1][Ring2][=N][C][Branch2][Ring1][Ring2][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][Branch2][C][C][Ring2][Ring2][C] | CN1CCN(C(=O)CNc2nc(NC3COC3)nc(NC(Cc3ccccc3)C(=O)N[Dy])n2)CC1 | [
2,
420,
2381,
2550,
1691,
2532,
2379,
1557,
1363,
1279,
2208,
1287,
1403,
1274,
2445,
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][S][C][Branch2][Branch1][P][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][=C][S][Ring1][#C][=N][Ring2][Ring2][C][=C][Branch1][Ring1][C][#N][C][=Ring2][Ring2][#Branch2][C] | Cc1sc(Nc2nc(Nc3ccc(F)c(C(F)(F)F)c3)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)c(C#N)c1C | [
2,
1274,
1337,
2091,
1624,
2740,
1656,
1366,
1286,
1593,
1560,
422,
438,
1322,
1275,
1651,
1847,
2415,
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 |
[N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][Branch1] | NC(=O)[C@H]1CC[C@H](CNc2nc(Nc3cc(Cl)nnc3Cl)nc(N[C@H](Cc3ccc(Cl)cc3)C(=O)N[Dy])n2)CC1 | [
2,
1387,
441,
2460,
2395,
1358,
1686,
2831,
1408,
1634,
423,
2029,
1470,
1339,
425,
1274,
2082,
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][O][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=N][C][Branch1][#C][N][C@H1][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | COC(=O)c1occc1Nc1nc(NCc2cnc(-c3ccccc3)s2)nc(N[C@H]2CCC[C@@H]2C(=O)N[Dy])n1 | [
2,
1365,
1423,
1402,
2579,
2347,
1383,
1634,
1313,
440,
1463,
1287,
1411,
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][Branch1][Ring1][C][#N][=C][N][=C][Ring1][Branch2][N][C][=N][C][Branch1][#Branch2][N][C][C][N][C][Branch1][C][N][=O][=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] | Cc1cc(C#N)cnc1Nc1nc(NCCNC(N)=O)nc(N[C@H](Cc2cc(F)cc(F)c2)C(=O)N[Dy])n1 | [
2,
1349,
2367,
1625,
1778,
2849,
1512,
1634,
423,
433,
1349,
1982,
1339,
424,
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][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][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][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Br][=N][Ring2][Ring1][#Branch2][N][Dy] | O=C(C[C@H](Cc1ccc(Cl)c(Cl)c1)Nc1nc(NCc2cn3cc(Cl)ccc3n2)nc(Nc2nccnc2Br)n1)N[Dy] | [
2,
2668,
1306,
1336,
441,
423,
433,
1357,
1501,
1771,
2500,
2426,
1954,
2294,
1355,
424,
435,
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][O][C][Branch2][Branch1][P][C][Branch1][C][F][Branch1][C][F][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][C][Br][S][Ring1][=Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][C][C][O][C][C][Ring2][Ring2][=Branch2] | COC1(C(F)(F)CNc2nc(Nc3nc(C(C)C)c(Br)s3)nc(Nc3cc([N+](=O)[O-])ccc3C(=O)N[Dy])n2)CCOCC1 | [
2,
1330,
2091,
1384,
1451,
1359,
1296,
1277,
1440,
1323,
1751,
1408,
1317,
2661,
1568,
1339,
421,
1785,
2027,
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][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][N][=C][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][C][C][Ring2][Ring1][S] | N#CC1(NC(=O)CNc2nc(NCc3cccnc3)nc(N3CCC[C@H]3CC(=O)N[Dy])n2)CC1 | [
2,
424,
1336,
1542,
1576,
1429,
1764,
1383,
1331,
441,
1528,
1287,
1403,
1274,
1413,
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][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Branch1][S][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][S][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][=N][N][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=C][Ring1][S][O][=N][Ring2][Ring2][#Branch1][=N][Ring2][Ring2][P] | Cc1ccc([N+](=O)[O-])c(Nc2nc(NCC3CSCCN3Cc3ccccc3)nc(Nc3cccc(-c4cccc(C(=O)N[Dy])c4)c3O)n2)n1 | [
2,
1357,
1605,
2150,
1354,
2349,
1917,
1755,
1699,
2313,
439,
1473,
1302,
1369,
2459,
429,
1719,
1322,
439,
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][=O][C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][N][N][C][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O][=N][C][Branch1][#C][N][C][=N][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy] | COC(=O)CC(Nc1nc(NCc2ccc[nH]c2=O)nc(Nc2n[nH]c3ncccc23)n1)C(=O)N[Dy] | [
2,
1613,
1677,
1565,
1367,
2008,
1383,
1324,
1373,
1660,
2337,
1541,
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][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=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] | Cc1ccnc(Cl)c1Nc1nc(Nc2ncc(-c3ccccc3)s2)nc(Nc2cccc([N+](=O)[O-])c2C(=O)N[Dy])n1 | [
2,
1349,
2097,
1359,
1401,
2347,
1408,
1342,
1448,
1479,
1339,
433,
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@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][O][N][C][C][O][C][C][=Branch1][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=N][N][=C][C][=Branch1][C][=O][NH1][C][=C][N][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy] | C#CC[C@H](Nc1nc(NCCOCC(=C)C)nc(NCCc2nnc3c(=O)[nH]ccn23)n1)C(=O)N[Dy] | [
2,
1788,
425,
2628,
426,
1293,
1363,
2273,
2266,
2275,
1504,
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][C][=C][C][Branch1][Ring1][C][#N][=C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][S][Ring2][Ring2][C] | Cc1cc(C#N)c(Nc2nc(Nc3nccs3)nc(N[C@H](Cc3ccc(I)cc3)C(=O)N[Dy])n2)s1 | [
2,
1349,
2367,
1514,
1599,
2203,
1408,
1634,
423,
2029,
1284,
451,
1325,
1339,
436,
433,
2445,
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][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][=N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][S][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][N] | CCOC(=O)c1cnc(SC)nc1Nc1nc(Nc2nc3c(Br)cccc3s2)nc(NC2(C(=O)N[Dy])CCOCC2)n1 | [
2,
1994,
1923,
1341,
1401,
1323,
1525,
1870,
1371,
1279,
1302,
1785,
1344,
1480,
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][Branch2][Branch1][=C][C][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][=Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][Br][=C][Ring1][O][F][=N][Ring2][Ring2][C][=C][Branch1][C][C][S][Ring2][Ring2][#Branch2] | Cc1cc(CNc2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc(Nc3c(C(=O)N[Dy])ccc(Br)c3F)n2)c(C)s1 | [
2,
1349,
1306,
1305,
1502,
2302,
1464,
1616,
1765,
1607,
1323,
1376,
432,
1322,
1676,
433,
2471,
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][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][#C][N][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][=C][S][Ring1][S][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring1] | COC(=O)c1scc(C)c1Nc1nc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)nc(Nc2cc(I)ccc2C(=O)N[Dy])n1 | [
2,
2035,
2384,
1648,
1298,
438,
1354,
1286,
2278,
1398,
1560,
2166,
1766,
1284,
451,
421,
1325,
2585,
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][N][Branch1][C][C][C][=N][C][Branch1][C][Cl][=C][Branch2][Branch1][O][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][O][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][S][Ring2][Ring2][=Branch2] | CN(C)c1nc(Cl)c(CNc2nc(Nc3cc(C(C)(C)C)ccc3O)nc(Nc3cc4ccccc4cc3C(=O)N[Dy])n2)s1 | [
2,
1633,
1332,
1276,
1478,
2466,
2514,
1872,
1320,
1286,
1344,
429,
2012,
1405,
1346,
1339,
439,
433,
2027,
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][Branch1][=N][N][C][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][=Branch2] | COCOCCCNc1nc(NCC2CNC(=O)C2)nc(N[C@H](C(=O)N[Dy])C2CCCC2)n1 | [
2,
1330,
1925,
2132,
1576,
1308,
1371,
1667,
1547,
1316,
1375,
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][S][N][C][=N][C][Branch1][#C][N][C][C][C][C][C][C][C][Ring1][Branch1][Branch1][C][F][F][=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][C][=C][Ring2][Ring2][Ring1][F] | COC(=O)c1cc(Nc2nc(NCCC3CCCC3(F)F)nc(N[C@@H](Cc3cscn3)C(=O)N[Dy])n2)ccc1F | [
2,
1621,
1491,
1951,
1985,
1350,
1361,
1518,
1326,
1319,
1337,
425,
1463,
1287,
2101,
2561,
432,
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][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring2][#C][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][=N][N][C][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][C][=N][Ring2][Ring2][C] | COC(=O)c1cnc(Nc2nc(NCc3ccc(-c4nnn[nH]4)cc3)nc(N3CC[C@@H]3C(=O)N[Dy])n2)cn1 | [
2,
1365,
1537,
1500,
1947,
2971,
2141,
440,
1557,
1339,
1294,
1597,
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][N][=C][Branch2][Branch1][=C][C][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2][=N][C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][P][S][C][=Ring2][Ring2][=Branch2][C] | Cc1nc(CCNc2nc(NCc3nnc(C(C)(C)C)s3)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc(C#N)cc3)n2)sc1C | [
2,
1274,
1315,
1948,
1274,
2319,
2359,
1751,
1484,
1518,
1407,
1357,
1863,
1439,
1337,
1847,
434,
420,
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 |
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][P][N][C][=N][C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C][=N][C][Branch2][Ring1][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][Ring2][Ring2][Ring2][C][=Branch1][C][=O][N][Dy] | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2)nc(Nc2nc3ccc(Cl)cc3o2)n1)C(=O)N[Dy] | [
2,
468,
458,
425,
1313,
441,
2091,
2187,
1931,
422,
1331,
1623,
1274,
422,
1318,
2146,
2664,
1973,
2553,
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][=C][C][=C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch1][P][N][C][C@@H1][C][C][O][C@H1][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][Br][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][#Branch1][C][#N] | COc1ccc(CNc2nc(NC[C@@H]3CCO[C@H]3c3cn[nH]c3)nc(Nc3c(Br)cc(C(=O)N[Dy])cc3Br)n2)cc1C#N | [
2,
1655,
1277,
1366,
2024,
441,
1528,
2253,
1418,
1323,
1275,
1657,
443,
1394,
2324,
1392,
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][Branch1][Ring1][N][Dy][C@H1][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][Branch1][Branch1][O][C][C][O][C][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][P] | O=C(N[Dy])[C@H]1CC[C@H](Nc2nc(NCC3(OCCO)CCC3)nc(Nc3cc(Cl)c(O)c(Cl)c3)n2)CC1 | [
2,
2668,
1311,
424,
435,
441,
1274,
2556,
1489,
423,
2233,
1688,
2694,
2860,
1355,
1274,
2486,
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][N][Ring1][Branch1][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][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][#Branch2] | O=C(N[Dy])[C@@H]1CCCN1c1nc(Nc2ccc(F)c([N+](=O)[O-])c2)nc(Nc2ccc(F)cc2F)n1 | [
2,
2668,
1311,
424,
435,
440,
1715,
1463,
1363,
2802,
2518,
432,
1355,
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][Ring2][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][O][N][C][=N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring1][P][=N][Ring2][Ring2][=Branch1][C][Branch1][C][C][O][Ring2][Ring2][=C] | CC1CC(CNc2nc(Nc3ccc([N+](=O)[O-])c(C(=O)N[Dy])c3)nc(Nc3nc(OCc4ccccc4)c4nc[nH]c4n3)n2)C(C)O1 | [
2,
1399,
2196,
420,
1598,
2243,
1302,
1641,
1656,
1429,
1521,
421,
2108,
1316,
2472,
1322,
1277,
1288,
429,
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
] | [
1,
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
] | 22 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][C][Branch2][Ring2][O][N][C][=N][C][Branch1][=C][N][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch1][S][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P] | O=C(N[Dy])c1cccc(Nc2nc(NCc3cncc(F)c3)nc(NCC3Cc4ccccc4C3)n2)c1 | [
2,
2668,
1311,
424,
435,
1473,
1543,
1358,
2761,
2181,
1978,
1343,
2456,
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][Branch2][Branch1][N][C][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][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][Ring2][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring2][=C] | COc1cc(CNc2nc(Nc3cccc(N4CCOCC4)c3)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc(F)cc3)n2)c2ccccc2n1 | [
2,
1423,
2485,
2536,
2210,
1466,
1518,
1407,
1357,
1515,
1322,
2683,
1322,
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 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=N][C][Branch1][#C][N][C][C][C][C][Ring1][Ring1][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][C@][Branch1][Ring1][C][O][C][O][C][C@H1][C][C][C][N][Ring1][Branch1][Ring1][O][=N][Ring2][Ring1][=N] | O=C(N[Dy])[C@H](CCC1CCCCC1)Nc1nc(NCC2CC23CCOCC3)nc(NC[C@]2(CO)COC[C@H]3CCCN32)n1 | [
2,
2668,
1311,
424,
435,
441,
1962,
1399,
2058,
1951,
1583,
1274,
1616,
1363,
1279,
453,
1311,
2399,
441,
1715,
422,
1382,
1411,
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][C][=C][C][Branch2][Ring2][P][C][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=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][C][=C][Ring2][Ring2][Ring2][O][Ring2][Ring2][#Branch1] | CC1Cc2cc(CNc3nc(NCc4nc5cnccc5s4)nc(Nc4cncc(C(=O)N[Dy])n4)n3)ccc2O1 | [
2,
1274,
1349,
2635,
1827,
2404,
1751,
1371,
1812,
1302,
1465,
2101,
2162,
429,
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][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][N][C][=N][C][Branch1][O][N][C][C][O][C][C][Branch1][C][F][F][=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][Ring1][O] | CCOC(=O)c1c[nH]nc1Nc1nc(NCCOCC(F)F)nc(Nc2c(C)cc(C)cc2C(=O)N[Dy])n1 | [
2,
2200,
2631,
2628,
1350,
2088,
429,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1
] | 8 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][F][=C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=N][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O][=N][Ring2][Ring1][#Branch2][C][Branch1][C][F][=C][Ring2][Ring2][Ring1] | O=C(N[Dy])c1cc(F)c(Nc2nc(Nc3ccnc(Cl)c3)nc(Nc3ccc4cc(Br)ccc4c3)n2)c(F)c1 | [
2,
2668,
1311,
424,
435,
1293,
1564,
1514,
1940,
2097,
1544,
2177,
1892,
1376,
1355,
1384,
2411,
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][=N][C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][=N][C][Branch2][Ring1][Ring1][N][C][C@H1][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch2][=N][Ring2][Ring1][S][=C][C][=C][Ring2][Ring2][Branch2][C][Branch1][C][C][O] | Cc1nc(CNc2nc(NCc3cccnc3-n3ccnc3C)nc(NC[C@H]3CC[C@H](C(=O)N[Dy])CC3)n2)ccc1C(C)O | [
2,
1274,
1276,
2260,
1359,
1764,
1318,
1955,
1361,
2826,
1302,
2232,
1424,
1882,
428,
2644,
429,
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][Ring2][C][C][=C][Branch2][Ring2][=N][N][C][=N][C][Branch1][P][N][C][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][=N][C][Branch1][#C][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][O][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy] | C=CCC(CC=C)(Nc1nc(NCCc2nc(C)c(C)s2)nc(Nc2cc(Br)ccc2CO)n1)C(=O)N[Dy] | [
2,
1602,
1542,
1366,
1331,
2533,
2152,
2956,
1513,
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][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Branch1][N][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][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][P][=C][Ring2][Ring2][N] | CS(=O)(=O)c1ccc(C(=O)N[Dy])c(Nc2nc(NCCN3C(=O)c4ccccc4S3(=O)=O)nc(Nc3ccc4c(c3)C(=O)CCC4)n2)c1 | [
2,
2121,
1789,
1502,
2852,
2666,
2908,
1439,
1328,
424,
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][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][N][N][C][=N][N][=C][Branch1][C][S][S][Ring1][=Branch1][=N][C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][=N] | COC(=O)c1cc(Cl)ccc1Nc1nc(Nc2nnc(S)s2)nc(Nc2ccc(C(=O)N[Dy])cc2OC(F)(F)F)n1 | [
2,
1621,
1478,
1325,
1565,
1758,
2847,
1656,
1303,
1593,
2699,
1411,
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][O][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][S][N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][O][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][Ring2][Ring1][=C] | CCON(CC)C(=O)CNc1nc(NCc2c(F)cccc2OC)nc(Nc2cccc(OC)c2C(=O)N[Dy])n1 | [
2,
1475,
424,
1311,
1313,
1691,
1340,
2453,
1294,
2312,
421,
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 |
[N][#C][C][=C][C][=C][N][=C][Branch2][Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C@][Branch1][Ring1][C][O][C][O][C][C@H1][C][C][C][N][Ring1][Branch1][Ring1][O][=N][C][Branch1][S][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][N][S][C][Ring2][Ring2][C][=C][Ring2][Ring2][=Branch1] | N#Cc1ccc2nc(Nc3nc(NC[C@]4(CO)COC[C@H]5CCCN54)nc(NC4(C(=O)N[Dy])CCC4)n3)sc2c1 | [
2,
424,
438,
1286,
1315,
1481,
1354,
1279,
453,
1311,
2399,
441,
1715,
422,
1382,
1386,
1279,
1302,
2339,
1480,
1337,
1300,
2446,
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][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Ring2][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][=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][=C][C][Ring2][Ring2][Ring1][C][=Branch1][C][=O][N][Dy] | CC(C)(C)OC(=O)N1CCN(c2nc(Nc3ccc(-c4cnco4)cc3)nc(Nc3cc(-c4ccccc4)[nH]n3)n2)C1C(=O)N[Dy] | [
2,
2061,
2395,
1544,
1345,
2756,
2363,
2252,
1967,
1995,
1290,
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@H1][C][C@@H1][Branch2][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=Branch2][C][N][Ring2][Ring1][Branch1][C][=Branch1][C][=O][C@@][C][C@@H1][Branch1][C][F][C@@H1][Ring1][Branch1][C][Ring1][=Branch1] | O=C(N[Dy])[C@H]1C[C@@H](Oc2ccccc2-c2coc(C(F)(F)F)c2)CN1C(=O)[C@@]12C[C@@H](F)[C@@H]1C2 | [
2,
2668,
1311,
424,
435,
441,
1713,
1283,
429,
2077,
1275,
1294,
1468,
1479,
1633,
1413,
1284,
1278,
452,
1713,
1301,
440,
1463,
1308,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 25 |
[C][C][=N][N][=C][Branch2][Branch1][Branch2][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][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][O][Ring2][Ring2][=Branch1] | Cc1nnc(Nc2nc(NCCNC(=O)c3ccno3)nc(N[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N[Dy])n2)o1 | [
2,
1274,
1757,
1496,
2305,
2211,
1512,
1634,
423,
433,
1357,
1501,
1771,
1339,
433,
429,
2074,
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][C][Branch2][Branch1][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][Ring1][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][#Branch1] | C=C1CCC(CNc2nc(NCCNC(=O)c3ccccc3F)nc(Nc3c(F)cccc3C(=O)N[Dy])n2)CC1 | [
2,
1275,
1313,
2307,
1415,
2903,
1361,
1318,
2042,
1339,
1694,
2111,
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][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][=N][N][C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=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][N] | Cc1cc([N+](=O)[O-])c(Cl)cc1Nc1nc(NC[C@@H]2CCC(=O)N2)nc(N2Cc3ccccc3C[C@@H]2C(=O)N[Dy])n1 | [
2,
1349,
1448,
1649,
1346,
1374,
2763,
1406,
1941,
440,
1344,
1339,
424,
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][=C][C][O][C][Branch2][Branch1][Ring1][C][C][N][C][=N][C][Branch1][S][N][C][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=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][O][=N][C][Ring2][Ring2][#Branch1][=Ring2][Ring2][Ring1] | Cc1cccc2oc(CCNc3nc(NCC(C)OC(C)(C)C)nc(Nc4nc(Cl)ccc4C(=O)N[Dy])n3)nc12 | [
2,
2270,
1294,
1449,
1274,
2490,
1650,
1361,
2444,
1325,
1339,
429,
1276,
2111,
450,
1413,
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][C][C][C@@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][C][N][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=N][Ring1][Branch2][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][O][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy] | C=CCC[C@@H](Nc1nc(NCCn2cc(C3CC3)nn2)nc(NCc2noc(C3CCOCC3)n2)n1)C(=O)N[Dy] | [
2,
1595,
1493,
1415,
1318,
1841,
1410,
1435,
1363,
1370,
2759,
1600,
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][=N][N][=C][Branch2][=Branch1][C][C][C][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2][S][Ring2][Ring2][=N] | Cc1nnc(CCCNc2nc(Nc3cccc(S(C)(=O)=O)c3)nc(Nc3ccccc3C(=O)c3ccccc3C(=O)N[Dy])n2)s1 | [
2,
1274,
1757,
1487,
1399,
2536,
1545,
1369,
2155,
1754,
1278,
2112,
1287,
1536,
433,
1300,
425,
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][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N][C][=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][C][Branch1][S][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=N][Ring2][Ring1][=N] | COC(=O)c1cc(F)c(F)cc1Nc1nc(NC[C@H]2CC[C@H](C(=O)N[Dy])CC2)nc(Nc2cc(OC)ccc2OC)n1 | [
2,
1621,
1981,
1359,
2826,
1302,
2232,
1386,
1993,
1294,
1411,
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][Branch2][Ring2][O][N][C][=N][C][Branch1][#C][N][C][C][C][C][C][C][C][Ring1][Branch1][Branch1][C][F][F][=N][C][Branch1][#C][N][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][=C] | O=C(N[Dy])C1(Nc2nc(NCCC3CCCC3(F)F)nc(Nc3cccc4[nH]ccc34)n2)CC1 | [
2,
2668,
1311,
424,
435,
420,
1543,
1951,
1985,
1350,
2318,
2246,
1355,
1274,
1413,
421,
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][=N][C][Branch1][C][Cl][=C][Branch2][Branch1][N][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][Branch2][Ring1][=C][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][N][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][C][Branch1][C][Cl][=N][Ring2][Ring2][=Branch2] | Cc1nc(Cl)c(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C(=O)N[Dy])n2)c(Cl)n1 | [
2,
1274,
1276,
1478,
1789,
1340,
2214,
1734,
2157,
1309,
2011,
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][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][=C][N][=C][N][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1][=N][C][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][S][=N][Ring2][Ring2][=Branch1] | CCOC(=O)c1csc(Nc2nc(NCC(c3cncn3C)N3CCCC3)nc(N[C@@H](C(=O)N[Dy])C3CCCCC3)n2)n1 | [
2,
2200,
1337,
1483,
1997,
1326,
1537,
1768,
1578,
1361,
1518,
1302,
1399,
2058,
1424,
1690,
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 |
[N][#C][C][=C][C][=C][C][Branch2][Branch1][#Branch2][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][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][Branch1][#C][N][C][C][C][C][C][C][C][Ring1][Branch1][Branch1][C][F][F][=N][Ring2][Ring1][O][=C][Ring2][Ring2][=Branch2] | N#Cc1cccc(C[C@H](CC(=O)N[Dy])Nc2nc(NCCC3CC4(CCC4)CO3)nc(NCCC3CCCC3(F)F)n2)c1 | [
2,
424,
438,
1473,
1538,
1674,
1407,
2447,
2257,
1383,
1338,
1985,
1350,
1823,
434,
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][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][=C][N][C][C][N][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][=N][C][=N][Ring2][Ring1][S] | Cc1cc(Nc2nc(NCCN3CC[C@@H](O)C3)nc(N3CCOC[C@@H]3C(=O)N[Dy])n2)ncn1 | [
2,
1349,
1573,
1562,
2967,
1968,
1294,
440,
1372,
1287,
1375,
1276,
1424,
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][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=N][C][Branch1][#C][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C] | COc1ncccc1Nc1nc(NCC(O)COc2cccc(Cl)c2Cl)nc(N2CCOC[C@@H]2C(=O)N[Dy])n1 | [
2,
1681,
1405,
1997,
2930,
1968,
1294,
440,
1372,
1287,
1379,
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][C][O][C][=C][C][Branch2][Branch1][C][N][C][=N][C][Branch1][=N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][F][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=C][C][=N][Ring2][Ring2][Branch1] | CCOc1cc(Nc2nc(NCCc3ccncc3F)nc(Nc3c(C(=O)O)cccc3C(=O)N[Dy])n2)ccn1 | [
2,
1561,
1481,
1610,
1558,
432,
1972,
1497,
1278,
1495,
1343,
1339,
421,
1305,
1652,
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][Ring1][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][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C(CCNc1nc(NCc2cccc(C(=O)N[Dy])c2)nc(Nc2ccc(F)c(Cl)c2)n1)NCc1ccncc1 | [
2,
2668,
1449,
1274,
1849,
1546,
1386,
2214,
1356,
1434,
1461,
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][C][Branch1][C][Br][=C][C][Branch2][Ring2][=N][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=N][C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][=N][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][P] | O=C(N[Dy])c1cc(Br)cc(Nc2nc(NCC3CS(=O)(=O)c4ccccc43)nc(Nc3nncs3)n2)c1 | [
2,
2668,
1311,
424,
435,
1293,
1323,
1305,
1542,
2484,
1436,
1377,
1419,
1572,
2931,
1375,
1966,
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][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2] | O=C(N[Dy])[C@H](Cc1ccc(F)c(F)c1)Nc1nc(Nc2ccc3cn[nH]c3c2)nc(Nc2nc3c(s2)CCCC3)n1 | [
2,
2668,
1311,
424,
435,
441,
423,
433,
1357,
1301,
2218,
1364,
1342,
1836,
1762,
2390,
2418,
1355,
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][N][C][=C][Branch2][Branch1][O][C][C@@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][=N][N][C][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][=C] | Cn1cc(C[C@@H](Nc2nc(NCC#Cc3cccnc3)nc(NCC3CCN(c4ccncc4)CC3)n2)C(=O)N[Dy])c2ccccc21 | [
2,
420,
1318,
2466,
440,
1491,
1610,
438,
1687,
1406,
2915,
1600,
1377,
1300,
421,
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][=C][C][Branch2][Branch1][=Branch1][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][Branch2][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=N][Ring2][Ring2][#Branch1] | COC(=O)c1cccc(Nc2nc(NCCCNC(=O)C3CCC3)nc(Nc3cc(OC)cc(OC)c3C(=O)N[Dy])n2)n1 | [
2,
1365,
1473,
1516,
2301,
2364,
2591,
433,
1719,
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][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][N][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][S] | CCOC(=O)c1cccnc1Nc1nc(NCc2cn(C(F)F)c3ccccc23)nc(Nc2ccc(C(=O)N[Dy])cc2O)n1 | [
2,
1508,
1687,
1624,
2755,
1544,
1593,
429,
1424,
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][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][C][C][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][=C][NH1][N][=Ring1][Branch1][=N][Ring2][Ring1][Ring2][C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy] | CC(C)(C)OC(=O)N1CCN(c2nc(NCC3(O)CCCC3)nc(Nc3cc[nH]n3)n2)C1C(=O)N[Dy] | [
2,
2061,
1304,
1274,
2141,
1569,
2058,
1572,
1314,
2420,
2151,
420,
427,
1343,
1290,
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][=Branch1][C][=O][C][Branch1][C][O][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][S] | CNC(=O)C(O)CNc1nc(Nc2cccc(S(C)(=O)=O)c2)nc(N[C@@H](CC(=O)N[Dy])Cc2cccc(F)c2)n1 | [
2,
2528,
1488,
2536,
1545,
1369,
1466,
1518,
1407,
2270,
1712,
1424,
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][Branch1][C][Cl][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][C@H1][Ring1][O][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Branch1] | Cc1cc(Cl)cc(Nc2nc(Nc3cncc(Cl)n3)nc(N3Cc4cc(O)ccc4C[C@H]3C(=O)N[Dy])n2)c1 | [
2,
1763,
1305,
1449,
1374,
1812,
2248,
1466,
1434,
2566,
1325,
1674,
1419,
1339,
425,
1897,
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][=C][C][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=N][NH1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][N][Ring1][=Branch2][=N][Ring2][Ring1][=C][=C][C][=C][Ring2][Ring2][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | Cc1cc(CNc2nc(Nc3cccc(C(=O)N[Dy])c3)nc(Nc3n[nH]c4ccc([N+](=O)[O-])cc34)n2)ccc1Oc1ccc(Cl)cc1Cl | [
2,
1349,
2375,
1341,
1342,
1302,
1369,
1353,
1653,
1286,
1448,
1594,
1343,
1379,
1882,
426,
1495,
1869,
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][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][=N][Ring2][Ring1][P] | COC(=O)c1cc(Cl)ccc1Nc1nc(NCc2nc3cc(F)ccc3o2)nc(Nc2ccc3cc(C(=O)N[Dy])ccc3c2)n1 | [
2,
1621,
1478,
1325,
2161,
2867,
2675,
1275,
1532,
1344,
1791,
1439,
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@@H1][C][S][C][N][Ring1][Branch1][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch2][=N][C][Branch1][=C][N][C][C][Branch1][C][F][C][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2] | O=C(N[Dy])[C@@H]1CSCN1c1nc(NCC2CCCCC(F)(F)C2)nc(NCC2(F)CCCCC2)n1 | [
2,
2668,
1311,
424,
435,
440,
1559,
1768,
1371,
1338,
3022,
1944,
2994,
1355,
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][Branch1][O][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][=C][N][=C][N][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch2][Br] | Cc1ccc(Nc2nc(NCC(c3cncn3C)N3CCCC3)nc(Nc3cc([N+](=O)[O-])ccc3C(=O)N[Dy])n2)cc1Br | [
2,
1357,
1704,
1997,
1326,
1537,
1768,
1578,
1408,
1317,
2661,
1568,
1290,
1322,
1319,
2027,
443,
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][=C][Branch1][C][O][C][Branch2][Branch1][P][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][Branch2][Ring1][=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][Ring2][Branch1][=N][Ring2][Ring2][=C] | Cc1ccc(O)c(CNc2nc(NCc3ccccc3CN(C)Cc3ccco3)nc(Nc3c(Cl)c(Cl)nc(C(=O)N[Dy])c3Cl)n2)n1 | [
2,
1357,
1488,
2091,
420,
1502,
1941,
1431,
1357,
1639,
1484,
1318,
1501,
1309,
1276,
1302,
1472,
437,
1652,
1322,
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,
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
] | 22 |
[C][C][C][C][O][C][C][N][Ring1][=Branch1][C][C][N][C][=N][C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch1][#C][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N] | CCC1COCCN1CCNc1nc(NCCCOc2cccc(F)c2)nc(N2CCCC[C@H]2C(=O)N[Dy])n1 | [
2,
1399,
1307,
1917,
1274,
1492,
3003,
1383,
1338,
441,
1372,
1287,
1480,
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][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][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][Branch1][S][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][=C][C][C][Branch1][C][C][O][Ring2][Ring2][O] | CC1CN(S(=O)(=O)CCNc2nc(Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)nc(N[C@H](C(=O)N[Dy])C3CC3)n2)CC(C)O1 | [
2,
1715,
2463,
2712,
2194,
2313,
439,
1436,
1279,
1320,
1765,
1386,
1667,
1575,
1379,
1526,
429,
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 |
[N][#C][C][=C][Branch1][C][F][C][=C][C][=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][C][N][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][N] | N#Cc1c(F)cccc1Nc1nc(NCCC2CC3(CCC3)CO2)nc(N[C@@H](C(=O)N[Dy])C2CCCC2)n1 | [
2,
424,
438,
1567,
1525,
2447,
2257,
1371,
1518,
1302,
1547,
1316,
1480,
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][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N][=N][Ring2][Ring1][=Branch2] | O=C(N[Dy])[C@H](Cc1csc2ccccc12)Nc1nc(Nc2nncs2)nc(Nc2nc(-c3ccc(F)cc3)cs2)n1 | [
2,
2668,
1311,
424,
435,
441,
423,
438,
1319,
433,
1286,
2220,
1599,
2931,
2554,
1515,
1989,
1375,
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][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][C][N][C][=N][C][Branch1][P][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][=N][Ring2][Ring1][N] | Cc1c(Br)cncc1CNc1nc(NCC(O)c2ccc(Cl)s2)nc(Nc2ccc(CC(=O)N[Dy])cc2)n1 | [
2,
1853,
420,
2279,
1492,
1284,
1495,
2340,
1544,
1407,
1398,
1480,
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][O][C][=C][C][=C][Branch2][Branch1][=C][C][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][O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][C][=C][Ring2][Ring2][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1] | COc1ccc(CNc2nc(Nc3cc(N4CCCC4)ccn3)nc(N[C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)N[Dy])n2)cc1CN1CCOCC1 | [
2,
1655,
1305,
2272,
2238,
1305,
2145,
1656,
1697,
2030,
1448,
1568,
1290,
1322,
1319,
1300,
2415,
1467,
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][F][C][C][N][Branch2][Branch1][Branch2][C][C][N][C][=N][C][Branch1][P][N][C][C][C][C][C][C][Branch1][Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=N][Ring2][Ring1][=C][C][Ring2][Ring2][#Branch1] | CC1(F)CCN(CCNc2nc(NCC34CCCC(CO3)C4)nc(NC3(C(=O)N[Dy])CCc4ccccc43)n2)C1 | [
2,
1274,
2652,
424,
1496,
1274,
2575,
2290,
1408,
1279,
1302,
1274,
1377,
1724,
1967,
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][=C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch1][=C][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][=N][C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][#C][=N][C][=N][Ring2][Ring2][=Branch1] | Cc1cc(Nc2nc(NCC(=O)NC3CCC3)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc(Cl)cc3Cl)n2)ncn1 | [
2,
1349,
1493,
1562,
1866,
1557,
1484,
1518,
1407,
1357,
1869,
1394,
1276,
1690,
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][=C][C][Branch2][Branch1][Branch1][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=N][Ring1][Branch2][=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][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring2][Branch2] | COc1cc(CNc2nc(Nc3ccc(Br)c(F)n3)nc(Nc3cc(C(=O)N[Dy])c(Br)cc3C)n2)c2ccccc2n1 | [
2,
1423,
2307,
2005,
1323,
1384,
1435,
2002,
2101,
1473,
1308,
1865,
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][C][=C][Branch2][Branch1][=N][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][Branch1][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][#Branch1][O][C][C][O][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][Ring2][O][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][=N][Cl][=N][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch2] | C#Cc1ccc(Nc2nc(NCC3(C)CCC4(CC3)OCCO4)nc(Nc3cc(OCC)c(C(=O)N[Dy])cc3Cl)n2)cc1 | [
2,
1831,
1286,
1861,
1454,
1527,
1313,
2009,
1312,
1307,
1815,
2492,
1395,
1456,
1302,
1817,
437,
1322,
1319,
2027,
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 |
[C][N][C][=Branch1][C][=O][C][=C][C][Branch2][=Branch1][Branch1][O][C][=C][C][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch1][S][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][#Branch1][=C][C][=N][Ring2][Ring2][=C] | CNC(=O)c1cc(Oc2ccc(Nc3nc(NCC4Cc5ccccc5C4)nc(Nc4cc(S(C)(=O)=O)ccc4C(=O)N[Dy])n3)cc2)ccn1 | [
2,
420,
1881,
1487,
423,
1495,
1496,
1608,
1978,
1343,
1922,
433,
2324,
1305,
1322,
421,
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 |