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][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=N][Ring1][O][=N][C][Branch2][Ring1][Branch2][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][#C] | CCOC(=O)c1ncccc1Nc1nc(Nc2cc(N3CCCC3)ccn2)nc(NC(C(=O)N[Dy])C(C)OC(C)(C)C)n1 | [
2,
2205,
425,
1405,
2272,
2238,
1305,
2145,
1807,
1394,
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][=N][N][=C][Branch2][Ring2][P][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][Ring1][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][O][Ring2][Ring1][P] | Cc1nnc(Nc2nc(NCc3nc(C)c(C)o3)nc(Nc3ccc(Cl)nc3C(=O)N[Dy])n2)o1 | [
2,
1274,
1757,
1458,
1608,
2153,
1815,
1544,
1885,
1339,
429,
429,
2486,
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][N][=C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=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][N][=C][Ring2][Ring2][#Branch1] | COc1cnc(Nc2nc(Nc3ccc(F)cc3Cl)nc(N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C(=O)N[Dy])n2)nc1 | [
2,
2392,
1538,
1912,
1515,
437,
1734,
1424,
1611,
431,
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][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][=C][S][Ring1][#C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][#C][=N][Ring2][Ring2][=Branch2] | Cc1ccc([N+](=O)[O-])c(Nc2nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)nc(Nc3ccc(F)cc3Cl)n2)n1 | [
2,
1357,
1605,
1483,
1927,
1366,
1286,
1593,
1560,
422,
438,
2518,
437,
1394,
2011,
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][N][=C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][C][=N][Ring2][Ring2][#Branch1] | COC(=O)c1cnc(Nc2nc(NCCS(=O)(=O)Nc3ccccc3)nc(Nc3ccc(C#N)cc3C(=O)N[Dy])n2)cn1 | [
2,
1365,
1537,
1483,
1631,
1391,
1280,
1377,
1671,
1420,
1455,
1337,
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 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][C][Branch2][Ring1][C][N][C][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][C][Branch1][P][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=N] | O=C(N[Dy])[C@@H]1Cc2ccccc2N1c1nc(NCCC2OCCc3ccccc32)nc(NCc2nc3c(s2)CCC3)n1 | [
2,
2668,
1311,
424,
435,
440,
1755,
424,
1819,
1371,
1331,
1307,
1377,
1344,
1378,
2469,
2336,
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][N][C][=N][C][Branch1][#C][N][C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br][=N][C][Branch2][Ring1][C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][#Branch2][=N][Ring2][Ring1][O][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][Branch1] | CC1(C)CC(CNc2nc(NCc3c(Br)cncc3Br)nc(NC3(C(=O)N[Dy])CCCCC3)n2)C(C)(C)O1 | [
2,
1890,
2405,
1364,
3012,
1371,
1279,
1302,
1547,
1344,
1289,
1347,
429,
2082,
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][#C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Branch1][=Branch2][O][C][C][N][C][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][#Branch2][N][C@@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=N][Ring2][Ring2][=C][C][=C][Ring2][Branch1][Ring2] | Cc1ccc(-c2cc(C(F)(F)F)nc(OCCNc3nc(Nc4ncc(Cl)nc4Cl)nc(N[C@@H](CCC(=O)OC4CCCCC4)C(=O)N[Dy])n3)n2)cc1 | [
2,
2314,
438,
1293,
1468,
1276,
1510,
1307,
1358,
1401,
2229,
1512,
1697,
1678,
2587,
1399,
1372,
1287,
1424,
1322,
421,
1275,
427,
1395,
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][N][C][C][N][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=N][C][Branch2][Ring1][Ring2][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][C][C][Ring2][Ring2][Branch2] | CN1CCN(C(=O)CNc2nc(NCc3ncccc3N(C)C)nc(NC(Cc3ccccc3)C(=O)N[Dy])n2)CC1 | [
2,
420,
2381,
1483,
1499,
420,
1827,
1405,
1680,
1363,
1279,
2208,
1287,
1379,
1274,
2195,
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][C][Branch2][Ring2][P][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][C][Branch1][#C][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=C][C][=C][Ring2][Ring2][C][O][Ring2][Ring2][Branch1] | CC1Cc2cc(CNc3nc(Nc4cc(Cl)c(F)c(Cl)c4)nc(N4CCOC[C@@H]4C(=O)N[Dy])n3)ccc2O1 | [
2,
1274,
1349,
2635,
1359,
1614,
2955,
1968,
1294,
440,
1372,
1287,
1355,
1882,
1310,
2082,
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][C][=C][C][Branch2][Ring2][P][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][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][C][=C][Ring2][Ring2][C][N][Ring2][Ring2][Branch1] | O=C1Cc2cc(Nc3nc(Nc4ccc5c(c4)COC5=O)nc(N[C@H]4CC[C@@H](C(=O)N[Dy])C4)n3)ccc2N1 | [
2,
2668,
1349,
1458,
2487,
2718,
1378,
1634,
1274,
440,
1368,
1343,
1356,
1882,
1633,
2082,
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][Branch2][Branch1][Branch1][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][=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][=C][Branch1][C][Br][C][=N][Ring2][Ring2][Branch1] | COc1cc(CNc2nc(NCC(C)OC(C)(C)C)nc(Nc3cc(F)c(F)cc3C(=O)N[Dy])n2)c(Br)cn1 | [
2,
1423,
2307,
2490,
1650,
1773,
1839,
1455,
1315,
2003,
1652,
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][S][C][C][N][C][=N][C][Branch1][#C][N][C][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | CCSCCNc1nc(NCC(F)(F)C2CC2)nc(N[C@@H](Cc2ccc(F)cc2F)C(=O)N[Dy])n1 | [
2,
1274,
1666,
1489,
2727,
1466,
1697,
421,
1357,
1515,
432,
1339,
425,
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][C][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][S][N][C][C][Branch1][C][C][Branch1][Ring1][O][C][C][C][C][Ring1][Ring1][=N][C][Branch2][Ring1][Ring1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][O][=C][C][=N][Ring2][Ring2][C] | CCOc1cc(Nc2nc(NCC(C)(OC)C3CC3)nc(N[C@H](CC(=O)N[Dy])c3cccs3)n2)ccn1 | [
2,
1561,
1458,
2490,
2576,
1583,
1361,
1634,
1407,
1286,
1530,
1356,
1305,
1597,
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][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1][=N][C][Branch1][#C][N][C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br][=N][Ring2][Ring1][=Branch2] | O=C(N[Dy])c1c(Cl)cccc1Nc1nc(NCc2cccc(Br)n2)nc(NCc2c(Br)cncc2Br)n1 | [
2,
2668,
1311,
424,
435,
2520,
1525,
1358,
1563,
1323,
1417,
1383,
3012,
1375,
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][Ring2][P][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][Branch1][#C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][=N][N][=C][Ring2][Ring2][C][Cl] | Cc1cc(Nc2nc(NCc3cc(C(F)(F)F)co3)nc(N3CCCC[C@@H]3C(=O)N[Dy])n2)nnc1Cl | [
2,
1349,
1458,
1971,
2250,
1809,
1383,
1338,
440,
1372,
1287,
1356,
425,
1611,
420,
437,
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][Branch2][Branch1][#Branch2][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][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][S][C][Branch1][C][Cl][=N][Ring2][Ring2][=Branch2] | Cc1ccc(CNc2nc(Nc3ccc4c(c3)C(=O)CCC4)nc(N3Cc4ccccc4C[C@H]3C(=O)N[Dy])n2)c(Cl)n1 | [
2,
1357,
2465,
1416,
1736,
2908,
1406,
1941,
441,
1344,
1339,
1337,
1309,
2011,
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][C][S][C][N][Ring1][Branch1][C][=N][C][Branch2][Ring1][Branch2][N][C][C@@H1][C][C][O][C@@H1][Ring1][Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][=N][Ring2][Ring2][Ring1] | O=C(N[Dy])[C@@H]1CSCN1c1nc(NC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)nc(Nc2ccc(N3CCOCC3=O)cc2)n1 | [
2,
2668,
1311,
424,
435,
440,
1559,
1768,
1466,
2777,
2062,
2898,
1490,
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][C][C][=C][Branch2][Ring2][O][N][C][=N][C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=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][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring2][Branch1] | Cc1cc(C)c(Nc2nc(Nc3ncnc4[nH]cnc34)nc(N3CCC[C@H]3CC(=O)N[Dy])n2)c([N+](=O)[O-])c1 | [
2,
1705,
1543,
1364,
2106,
2104,
1637,
1383,
1331,
441,
1528,
1287,
2613,
1448,
1897,
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][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=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][Cl][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring2][Ring1] | CS(=O)CC(O)CNc1nc(Nc2ccc(N3CCOCC3)c(F)c2)nc(N[C@@H](CC(=O)N[Dy])c2cccc(Cl)c2Cl)n1 | [
2,
420,
2651,
1488,
2714,
2066,
1466,
1518,
1407,
1473,
1309,
1430,
437,
1490,
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][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][P][N][C][C][C][C][=C][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][Ring1][Branch2][=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][C][C][Ring2][Ring2][Ring1][=O] | CN1CC(CNc2nc(NCC34CC=CC(C3)OC4)nc(N[C@H](C(=O)N[Dy])C3CCCCC3)n2)CC1=O | [
2,
420,
1285,
2321,
1909,
1305,
1837,
1308,
1294,
1329,
1361,
1667,
1399,
2058,
1289,
1285,
1995,
430,
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][C][Branch2][Branch1][Ring1][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][Branch1][=N][N][C][=C][N][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][=Branch1][C][=Branch1][C][=O][N][Dy] | COc1cccc(Nc2nc(NCc3ccccc3CN(C)Cc3ccco3)nc(Nc3cnc(Br)cn3)n2)c1C(=O)N[Dy] | [
2,
1474,
1449,
1502,
1941,
1431,
1357,
1639,
1409,
2997,
2050,
1668,
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][N][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][C][Branch1][C][Cl][=N][Ring1][#Branch2][=N][C][Branch1][P][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][O] | CN(C)c1ncccc1CNc1nc(Nc2nc(Cl)c(C=O)c(Cl)n2)nc(NC2(C(=O)N[Dy])CCCC2)n1 | [
2,
1633,
1332,
425,
1522,
1354,
2444,
1311,
420,
430,
2188,
1465,
1689,
1302,
2538,
1356,
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][=C][C][Branch1][C][Br][=C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][O][N][C][C][S][N][=C][C][=Ring1][Branch1][Br][=N][C][Branch1][S][N][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][P] | O=C(N[Dy])c1cc(Br)cc(Nc2nc(NCc3sncc3Br)nc(Nc3ccc4cccnc4c3)n2)c1 | [
2,
2668,
1311,
424,
435,
1293,
1323,
1305,
1677,
2653,
1438,
1402,
443,
1862,
1293,
2148,
1375,
1966,
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][O][C][=C][C][Branch2][Ring2][=N][N][C][=N][C][Branch1][S][N][C][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring1][=N][C][Branch1][S][N][C][=C][N][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy] | CCOc1cc(Nc2nc(NCC(F)(F)CC3CC3)nc(Nc3cnc(Cl)c(Cl)c3)n2)c(Cl)cc1C(=O)N[Dy] | [
2,
1561,
1542,
1608,
2884,
1386,
2230,
1771,
1403,
2197,
2176,
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][N][C][C][N][Branch2][=Branch1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=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][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][Ring2][Ring1][C][C][Ring2][Ring2][P] | CN1CCN(Cc2ccccc2Nc2nc(NCc3ccc(C(=O)N4CCCC4)cc3)nc(Nc3ccc(C(=O)N[Dy])c([N+](=O)[O-])c3)n2)CC1 | [
2,
420,
2381,
1487,
434,
1755,
1502,
1794,
2330,
1817,
1484,
1303,
1368,
1448,
1641,
1490,
1274,
1300,
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][C][Branch1][C][C][C][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=Branch1][C][=O][N][=C][NH1][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy] | CC(C)CC(Nc1nc(NCc2cc(=O)nc[nH]2)nc(Nc2ccc(-n3cccc3)cc2)n1)C(=O)N[Dy] | [
2,
1890,
1500,
1358,
2887,
1544,
1345,
1303,
1316,
1398,
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][C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][N][N][C][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=C][C][C][=N][C][Branch1][N][N][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy] | C#CC[C@@](C)(Nc1nc(NCCC2C(=O)N(Cc3ccccc3C)N=C2CC)nc(Nc2ncc(C)s2)n1)C(=O)N[Dy] | [
2,
1591,
1516,
2194,
2588,
423,
1456,
1522,
1321,
421,
1274,
1503,
1401,
1895,
1813,
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][Ring2][O][N][C][=N][C][Branch1][#C][N][C][C][C][O][C][C][C][Ring1][Branch1][Branch1][C][C][C][=N][C][Branch1][#C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][P][Cl] | COc1ccc(Nc2nc(NCCC3OCCC3(C)C)nc(N3CCCC[C@@H]3C(=O)N[Dy])n2)cc1Cl | [
2,
1334,
1543,
1958,
1925,
1316,
1332,
1383,
1338,
440,
1372,
1287,
1355,
2619,
437,
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][Branch2][Branch1][Branch1][C][N][C][=N][C][Branch1][#C][N][C][C][=N][N][=C][Branch1][Ring2][C][S][C][NH1][Ring1][Branch2][=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][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | CCC(CNc1nc(NCc2nnc(CSC)[nH]2)nc(Nc2c(C(=O)O)cccc2C(=O)N[Dy])n1)Oc1ccccc1C | [
2,
1313,
2307,
1364,
1640,
1395,
1559,
2128,
1972,
1497,
1278,
1495,
1343,
1339,
421,
1495,
1452,
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][Branch2][Ring2][#C][N][C][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=N][Ring1][Branch2][=N][C][Branch1][#C][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C(NCCNc1nc(Nc2ccc(Br)c(F)n2)nc(N2CCOC[C@@H]2C(=O)N[Dy])n1)c1cccnc1 | [
2,
2668,
1500,
1285,
2005,
1323,
1384,
1435,
1968,
1294,
440,
1372,
1287,
1375,
1687,
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][N][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=C] | COC(=O)c1cnccc1Nc1nc(Nc2cc(C)ccc2Cl)nc(N[C@@H](CC(=O)N[Dy])Cc2ccc(I)cc2)n1 | [
2,
1365,
2404,
1358,
1800,
1880,
1466,
1518,
1407,
1357,
1284,
451,
1325,
1379,
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][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][Branch2][N][C][=N][C][Branch1][P][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][Ring2][Ring1][N] | O=C(N[Dy])c1cc(Cl)c(Br)cc1Nc1nc(NCC2CCOCC23CCCC3)nc(Nc2cc(Cl)c(F)c(Cl)c2)n1 | [
2,
2668,
1311,
424,
435,
1293,
1478,
1323,
1362,
1909,
1616,
1399,
1316,
2694,
2955,
1480,
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][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][N][C][=N][C][Branch2][Ring1][O][N][C][C][Branch1][C][O][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][Branch2][C][Ring1][Branch1][C][Ring1][#Branch1][Ring1][N][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=N][Ring1][O][=N][Ring2][Ring1][S] | Cc1cccc(C(=O)N[Dy])c1Nc1nc(NCC2(O)C3C4CC5C6C4CC3C6C52)nc(Nc2cc(N3CCCC3)ccn2)n1 | [
2,
1858,
1927,
2519,
1399,
1528,
1950,
1463,
1312,
1410,
1766,
2238,
1305,
2145,
1424,
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][N][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][C][N][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=N][Ring2][Ring1][=N][N][Dy] | O=C(C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1nc(NCCC2CC3(CCC3)CO2)nc(Nc2ncc(-c3ccccc3)s2)n1)N[Dy] | [
2,
2668,
1487,
1952,
1283,
427,
1357,
1468,
1346,
2447,
2257,
1361,
1401,
2347,
1289,
1385,
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 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][N][C][=N][C][Branch1][S][N][C][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][=N] | O=C(N[Dy])[C@H](Cc1cc(F)c(F)c(F)c1)Nc1nc(NCCc2nccn2C(F)F)nc(Nc2ccc(-c3cnco3)cc2)n1 | [
2,
2668,
1311,
424,
435,
441,
1283,
422,
1349,
2739,
1685,
2317,
1350,
1544,
1345,
2756,
1411,
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 |
[N][#C][C][=C][C][=C][Branch2][Ring2][N][C][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][S][C][Ring1][Ring2][=N][C][Branch1][#Branch2][N][C][C][C][=C][C][C][Ring1][Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring2][C] | N#Cc1ccc(C[C@@H](CC(=O)N[Dy])Nc2nc(NCCC3CSC3)nc(NCC3C=CCC3)n2)cc1 | [
2,
424,
438,
1286,
1304,
1498,
1407,
1445,
3016,
1636,
1285,
2737,
2151,
1327,
420,
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][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][N][C][=N][C][Branch1][=C][N][C][=C][N][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][=N][C][Branch1][=C][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][S] | C#CCOc1ccc(CNc2nc(Nc3cnc(OC)nc3)nc(N3CCC[C@H]3C(=O)N[Dy])n2)cc1 | [
2,
1831,
1334,
1573,
420,
2659,
1698,
1625,
1351,
1331,
441,
1463,
1287,
1403,
1720,
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@@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][C@H1][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy] | C=CCC[C@@H](Nc1nc(NCCOc2cccnc2)nc(NC[C@H]2CC[C@H](C(N)=O)CC2)n1)C(=O)N[Dy] | [
2,
1595,
1542,
1610,
1495,
1414,
1371,
2827,
1504,
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][=Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=N][C][Branch2][Ring1][Ring2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C@@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=C][N][=C][Ring2][Ring2][=Branch1][Br] | Cc1cc(Nc2nc(Nc3ccc4c(c3)OCCCO4)nc(N3C4CCCCC4C[C@@H]3C(=O)N[Dy])n2)cnc1Br | [
2,
1349,
1516,
1359,
1664,
1307,
2257,
1363,
1635,
1372,
440,
1343,
1339,
438,
421,
1611,
426,
443,
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][NH1][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][C][S][C][Ring1][=Branch1][=N][C][Branch1][=C][N][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][#Branch1][=N][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] | O=C(N[Dy])c1ccc2[nH]c(Nc3nc(NCC4(O)CCSC4)nc(Nc4nc(Cl)ccc4Cl)n3)nc2c1 | [
2,
2668,
1311,
424,
435,
1286,
1373,
1677,
2586,
1337,
1308,
1905,
1478,
1880,
1447,
1276,
1413,
425,
1966,
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][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][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][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][Ring1] | COc1cc(Br)ccc1Nc1nc(NCC2(C)CCC3(CC2)OCCO3)nc(N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[Dy])n1 | [
2,
1423,
2284,
1454,
1527,
1313,
2009,
1312,
1307,
1815,
1656,
1634,
423,
2030,
1448,
1568,
2585,
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][=C][C][=C][Branch1][C][Cl][C][Branch2][Branch1][#Branch2][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][C][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][Ring1][#Branch2][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][#Branch1] | COc1ccc(Cl)c(Nc2nc(Nc3ccc(C(=O)N[Dy])c(C(=O)O)c3)nc(Nc3cccc(NC(C)=O)n3)n2)c1 | [
2,
1334,
1501,
1538,
1598,
1303,
1368,
1497,
1278,
429,
1641,
2325,
1279,
1708,
1465,
2050,
431,
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][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][O][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][=N][Ring2][Ring1][S] | CC(C)NC(=O)NCCNc1nc(NCC2CCCC3(CCC3)C2O)nc(Nc2cc(C(=O)N[Dy])ccc2C(=O)O)n1 | [
2,
1526,
1279,
1464,
1359,
2768,
1408,
1317,
1584,
1499,
429,
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][S][C][Branch2][Ring2][P][C][C][N][C][=N][C][Branch1][=C][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][=N][C][=Ring2][Ring2][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc(CCNc2nc(NCC(=O)NC3CCC3)nc(Nc3cc(Br)ccc3C(=O)N[Dy])n2)nc1-c1ccccc1 | [
2,
1274,
1337,
1458,
1274,
1562,
1866,
1557,
1766,
2284,
1339,
429,
2639,
1413,
1377,
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][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][=C][N][C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][C][=N][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][=N][Ring2][Ring1][=N] | Cc1cc([N+](=O)[O-])c(Cl)cc1Nc1nc(NCc2n[nH]c(=O)n2C)nc(Nc2c(C(=O)N[Dy])sc3ncccc23)n1 | [
2,
1349,
1448,
1649,
1346,
1358,
1370,
2080,
1372,
1972,
1302,
1337,
1660,
422,
1622,
1411,
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][N][Branch2][Ring2][=N][C][=N][C][Branch1][S][N][C][=C][N][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][O][C][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy] | CN(c1nc(Nc2cnc(Cl)c(Cl)c2)nc(Nc2nc3c(s2)COCC3)n1)[C@@H](CC1CCCCC1)C(=O)N[Dy] | [
2,
1633,
1304,
1276,
1386,
2230,
1771,
2390,
2345,
1375,
1588,
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][O][C][=C][C][=C][C][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][Branch1][Ring2][C][C][=C][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=C][Ring2][Ring2][Branch2] | C#CCOc1cccc(CNc2nc(NCc3c(F)cccc3N3CCCC3)nc(NC(CC=C)(CC=C)C(=O)N[Dy])n2)c1 | [
2,
2701,
2375,
1416,
2833,
1361,
1279,
1566,
1566,
1339,
433,
1877,
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][Branch1][C][F][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][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][Ring1][N][C][C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][O] | COc1c(F)ccc(C(=O)N[Dy])c1Nc1nc(NCc2nc(C)c(C)o2)nc(NCC(C)c2c(Cl)cccc2Cl)n1 | [
2,
1714,
1608,
2153,
1815,
2504,
1440,
1309,
2702,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][F][=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][=N][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][O] | O=C(N[Dy])c1cc(F)ccc1Nc1nc(NCc2cnc(-c3ccccc3)s2)nc(Nc2ccnc(Cl)c2)n1 | [
2,
2668,
1311,
424,
435,
2866,
2579,
2347,
1851,
2097,
1356,
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][N][Ring1][Ring2][C][=N][C][Branch1][P][N][C][C][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][=Branch1][Ring1][Ring1][=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]1CCN1c1nc(NCC2CC3CC2C2CC32)nc(Nc2nc3c(s2)CCCC3)n1 | [
2,
2668,
1311,
424,
435,
441,
1274,
424,
1557,
420,
1378,
1635,
2944,
2390,
2418,
1355,
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][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][=N][C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][Ring2][Ring1][=N][=C][C][=C][Ring2][Ring2][Ring2][Cl] | O=C(N[Dy])c1cc(Nc2nc(NCc3nc4c(F)c(F)ccc4[nH]3)nc(Nc3nc4ccccc4o3)n2)ccc1Cl | [
2,
2668,
1311,
424,
435,
1293,
1449,
1454,
1370,
2346,
1362,
2263,
2442,
1809,
1411,
1882,
427,
437,
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][C][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=N][C][Branch2][Ring1][=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][#C][O][Ring2][Ring2][#Branch1] | CC1CCCC(CNc2nc(NCc3ncccc3N(C)C)nc(Nc3cc(C(=O)O)cc(C(=O)N[Dy])c3)n2)O1 | [
2,
1399,
1274,
2375,
1827,
1405,
1680,
1484,
1317,
1497,
1278,
429,
1570,
1641,
1394,
429,
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][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][P][N][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=N][C][Branch1][O][N][C][=N][NH1][C][=C][Ring1][Branch1][C][#N][=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy] | CC(OC(C)(C)C)C(Nc1nc(NCC(=O)NC2(C#N)CC2)nc(Nc2n[nH]cc2C#N)n1)C(=O)N[Dy] | [
2,
1935,
1626,
1492,
2943,
1476,
2135,
448,
1596,
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][O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][N][=N][Ring1][=Branch1][=N][Ring2][Ring1][#C] | COc1cccc(C(=O)N[Dy])c1Nc1nc(NCc2noc3ccc(F)cc23)nc(NCC2CCCN2c2cccnn2)n1 | [
2,
1702,
2161,
2235,
2489,
2552,
1286,
424,
1622,
1394,
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][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=N][=O][=N][C][Branch2][Ring1][Branch1][N][C@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][#Branch1] | Cc1ccnc(Cl)c1Nc1nc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nc(N[C@H](Cc2ccccc2Cl)C(=O)N[Dy])n1 | [
2,
1349,
2097,
2482,
2820,
1406,
1634,
423,
1521,
437,
1290,
1719,
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][Ring1][C][N][C][=N][C][Branch1][=C][N][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][Br][=N][Ring2][Ring1][N][C][Branch1][C][C][O][Ring2][Ring2][Ring2] | CC1CC(CNc2nc(Nc3nc(Cl)ccc3Cl)nc(Nc3c(Br)cc(C(=O)N[Dy])cc3Br)n2)C(C)O1 | [
2,
1399,
2321,
1358,
2444,
1880,
1418,
1323,
1275,
1657,
443,
1814,
1288,
429,
1996,
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][Ring2][S][C][N][C][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch1][#C][N][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][Branch2][=N][Ring2][Ring1][=Branch2][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C(CNc1nc(Nc2noc3ccc(F)cc23)nc(N2CC(C(=O)N[Dy])C2)n1)NCc1ccncc1 | [
2,
2668,
2405,
1341,
1324,
2235,
1968,
1368,
1329,
1375,
1434,
1461,
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][C][Branch2][=Branch1][Ring2][C][N][C][=N][C][Branch2][Ring1][N][N][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][C][Ring1][#C][=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][=Branch1][C][N][Branch1][C][C][C] | CCOC(CNc1nc(NCC2(c3ccc4c(c3)OCO4)CCCCC2)nc(N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[Dy])n1)CN(C)C | [
2,
1274,
1294,
2196,
420,
2194,
1711,
433,
1473,
2110,
2338,
1274,
1441,
438,
1466,
1697,
421,
1357,
1863,
1290,
1322,
1277,
1680,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][C] | O=C(N[Dy])c1cc(Cl)cc(Nc2nc(NCc3ccccn3)nc(Nc3nc(-c4cccnc4)cs3)n2)c1 | [
2,
2668,
1311,
424,
435,
1293,
1309,
1305,
1549,
1429,
1563,
1622,
1361,
1599,
1687,
1560,
1419,
1355,
2494,
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][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch1][#C][N][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][=Branch1][N][C@@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][C][C][O][C][Ring1][Branch1] | COC(CNc1nc(NCc2ccc(C)nc2Cl)nc(N[C@@H](C/C=C/c2ccccc2)C(=O)N[Dy])n1)C1CCOC1 | [
2,
1330,
2395,
2565,
2544,
1353,
1697,
2742,
445,
421,
1522,
1287,
1394,
2564,
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@@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy] | C=CC[C@@H](Nc1nc(NCc2nc3c(F)c(F)ccc3[nH]2)nc(Nc2ccc3c(cnn3C)c2)n1)C(=O)N[Dy] | [
2,
1604,
1483,
1454,
1370,
2346,
1362,
2263,
2325,
420,
1385,
2309,
1600,
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][S][C][C][N][C][=N][C][Branch1][S][N][C][C][C][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][N][=C][Ring1][#Branch2][=N][Ring2][Ring1][N] | CCSCCNc1nc(NCCCCC2(C)OCCO2)nc(Nc2ccc(C(=O)N[Dy])nc2)n1 | [
2,
1274,
1666,
1340,
2295,
2264,
2391,
1302,
1670,
1480,
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][Branch1][#Branch1][C][=C][S][C][Branch2][Ring2][N][N][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][O][=N][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1] | O=C(N[Dy])c1ccc(-c2csc(Nc3nc(NCCNC(=O)c4cccnc4)nc(Nc4cc(Cl)ccc4F)n3)n2)cc1 | [
2,
2668,
1311,
424,
435,
1286,
1483,
1275,
1337,
1549,
2304,
1687,
2491,
2387,
1356,
1439,
2324,
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][O][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][C][C][C][C][O][C][Ring1][=Branch1] | COC(CNc1nc(Nc2ccc3c(c2)OCCCO3)nc(N[C@H](Cc2ccc(C#N)cc2)C(=O)N[Dy])n1)C1CCCOC1 | [
2,
1330,
2466,
1359,
1664,
1307,
2257,
1466,
1634,
423,
421,
1357,
1420,
1455,
439,
1399,
1834,
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][C][=C][Branch2][=Branch1][Ring1][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Branch1][S][N][=Ring2][Ring2][N] | COc1cc(CNc2nc(NCc3ccc(-c4c[nH]c(=O)[nH]c4=O)cc3)nc(Nc3ccc(C(F)(F)F)cc3C(=O)N[Dy])n2)sn1 | [
2,
2361,
1487,
2013,
2116,
1433,
2277,
1753,
1765,
1512,
1303,
1468,
1346,
1290,
1652,
433,
2296,
424,
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][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=N][C][Branch2][Ring1][Branch1][N][C@H1][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2] | Cc1c(Br)cccc1Nc1nc(NCCc2ccc(N3CCOCC3)c(F)c2)nc(N[C@H](CCC2CCCCC2)C(=O)N[Dy])n1 | [
2,
1853,
1525,
2102,
1286,
2066,
1406,
1634,
1962,
1399,
1274,
1372,
1287,
1536,
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][=Branch1][C][=O][C][=C][C][=N][C][Branch2][Branch1][O][N][C][=N][C][Branch1][S][N][C][=N][C][Branch1][C][F][=C][C][Branch1][C][F][=N][Ring1][Branch2][=N][C][Branch2][Ring1][=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][Ring1][P][=C][Ring2][Ring2][Branch2] | COC(=O)c1ccnc(Nc2nc(Nc3nc(F)cc(F)n3)nc(Nc3cccc(-c4cccc(C(=O)N[Dy])c4)c3O)n2)c1 | [
2,
1621,
1276,
1704,
1340,
1281,
1647,
1301,
1435,
1699,
2313,
439,
1473,
1302,
1369,
2459,
429,
1439,
1877,
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][Branch2][Branch1][Ring2][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][Branch1][N][C][=C][C][Branch1][C][Br][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][Ring2][Ring1][=N][C][C][C][Branch1][=Branch1][C][C][Ring2][Ring2][Branch1][O][C][C][O][Ring1][#Branch1] | CC1(CNc2nc(NCCCNC(=O)C3CCC3)nc(Nc3cc(Br)cc(C(=O)N[Dy])c3)n2)CCC2(CC1)OCCO2 | [
2,
1274,
2395,
2301,
2364,
1937,
1323,
1579,
1411,
1313,
1390,
1274,
1300,
1962,
1815,
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][Branch2][Ring2][P][C][N][C][=N][C][Branch1][#Branch2][N][C][C][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][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][N][C][C][C][C][C][Ring2][Ring2][Ring2] | COCC1(CNc2nc(NCC3C=CCC3)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc(F)cc3)n2)CCCCC1 | [
2,
1643,
2635,
1778,
2737,
1466,
1518,
1407,
1357,
1515,
1289,
1540,
1996,
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][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][Ring1][=C][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][=N][Ring2][Ring1][#C] | CCC1=NN(Cc2ccccc2C)C(=O)C1CCNc1nc(Nc2cc(I)ccc2C(=O)N[Dy])nc(Nc2nc(Cl)c(Cl)nc2C(=O)OC)n1 | [
2,
1313,
1385,
423,
1521,
1550,
420,
2045,
1274,
1359,
2171,
451,
421,
1325,
1290,
1353,
1281,
3000,
2326,
1394,
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][C][=C][C][=C][C][O][C][Branch2][Branch1][=Branch1][C][C][N][C][=N][C][Branch1][#C][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][=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][=C][=N][C][Ring2][Ring2][#Branch2][=Ring2][Ring2][=Branch1] | Cc1cccc2oc(CCNc3nc(NCc4ccc(C#N)cn4)nc(N[C@H](Cc4ccc(I)cc4)C(=O)N[Dy])n3)nc12 | [
2,
2270,
1294,
1516,
1274,
2565,
1651,
1435,
1408,
1634,
423,
2029,
1284,
451,
1325,
1339,
421,
1276,
2471,
1847,
426,
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][O][C][=C][N][=C][C][Branch2][Ring2][S][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][#C][N][C][C][=C][N][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][N][=N][Ring2][Ring2][Ring1] | COc1cncc(Nc2nc(NCc3cccc(C(=O)N[Dy])c3)nc(NCc3cnc(F)cc3C)n2)n1 | [
2,
2630,
1491,
1849,
1546,
1383,
1615,
2118,
1480,
1490,
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][Ring1][C][#N][=C][Branch2][=Branch1][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][C][N][C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][=N][C][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][Ring2][Branch1][S][Ring2][Ring2][=N] | Cc1cc(C#N)c(Nc2nc(NCc3ccc(CN4C(=O)CNC4=O)cc3)nc(N[C@H](Cc3cc(F)cc(F)c3)C(=O)N[Dy])n2)s1 | [
2,
1349,
2367,
2320,
2116,
1276,
1576,
1983,
1765,
1512,
1634,
423,
433,
1349,
1982,
1290,
1652,
433,
1300,
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][C][C][C][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch1][P][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1][Ring2][Ring2][=Branch2] | O=C1CCCc2ccc(Nc3nc(NCc4nc5c(s4)CCC5)nc(Nc4c(C(=O)O)cccc4C(=O)N[Dy])n3)cc21 | [
2,
2668,
1274,
1357,
1516,
1366,
2469,
2336,
1972,
1497,
1278,
1495,
1343,
1339,
1882,
423,
2027,
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][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch1][P][N][C][C][N][C][C][C][Branch1][C][C][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][Branch1] | CC(=O)c1cccc(Nc2nc(NCCN3CCC(C)(F)C3)nc(N[C@@H](Cc3ccc(Br)cc3)C(=O)N[Dy])n2)c1 | [
2,
1550,
1473,
1516,
1492,
1790,
1451,
1312,
2033,
1323,
1325,
1339,
421,
1897,
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][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][P][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][Br][=N][C][Branch1][P][N][C@H1][C][=C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][N][=N][Ring2][Ring2][=Branch1] | Cc1ccc([N+](=O)[O-])c(Nc2nc(Nc3ccc4nccnc4c3Br)nc(N[C@H]3C=C[C@@H](C(=O)N[Dy])C3)n2)n1 | [
2,
1357,
1605,
1500,
1366,
1303,
2261,
443,
1378,
1634,
1275,
440,
1368,
1343,
1480,
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 |
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch1][#C][N][C][C][Branch1][Ring1][S][C][C][C][O][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=Branch1][C] | COC(=O)c1ccc(Nc2nc(NCC3(SC)CCOCC3)nc(Nc3cc(C(=O)N[Dy])ccc3C(F)(F)F)n2)cc1C | [
2,
1554,
1483,
1489,
1311,
1678,
1307,
1329,
1512,
1317,
1584,
1437,
1394,
1327,
1277,
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][=N][C][=C][Ring1][#Branch1][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][Branch2][N][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P] | Cc1cc(Cl)ncc1Nc1nc(Nc2cc(C(C)(C)C)ccc2O)nc(N[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N[Dy])n1 | [
2,
1763,
425,
1325,
2514,
1872,
1320,
1286,
1344,
429,
1466,
1697,
421,
1357,
1869,
1339,
439,
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][Branch2][Branch1][O][N][C][C][N][C][=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][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][Ring2][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C(NCCNc1nc(Nc2ccc([N+](=O)[O-])c(Br)c2)nc(Nc2ccc(Cl)c(C(=O)N[Dy])c2)n1)c1cccnc1 | [
2,
2668,
1704,
1285,
1770,
2907,
1406,
1750,
1302,
1376,
1411,
1687,
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][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=C][N][C][C][=C][C][Branch1][Ring1][O][C][=N][S][Ring1][#Branch1][=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][=N] | COC(=O)c1nccnc1Nc1nc(NCc2cc(OC)ns2)nc(Nc2c(C(=O)O)cccc2C(=O)N[Dy])n1 | [
2,
2035,
1433,
1414,
1358,
2539,
425,
1942,
1972,
1497,
1278,
1495,
1343,
1339,
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][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][=Branch2] | COC(=O)c1cc(Cl)ccc1Nc1nc(Nc2cccnc2C(=O)N[Dy])nc(Nc2ncccc2F)n1 | [
2,
1621,
1478,
1325,
2005,
1321,
1668,
1476,
1324,
2247,
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 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=N][Ring2][Ring1][#C] | O=C(N[Dy])[C@H](Cc1ccc(F)cc1F)Nc1nc(Nc2ncc(Cl)cc2F)nc(Nc2ncnc3c2ncn3C2CCCCO2)n1 | [
2,
2668,
1311,
424,
435,
441,
423,
421,
1357,
1515,
432,
1358,
1401,
2241,
1408,
2240,
1315,
1850,
1845,
1308,
1394,
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][O][C][=C][N][=C][C][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][#Branch2][N][C][=N][C][=C][N][Ring1][Branch1][C][=N][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][P] | COc1cncc(Nc2nc(Nc3c(Br)cc(C)cc3C(=O)N[Dy])nc(Nc3nccn3C)n2)n1 | [
2,
2630,
1514,
1454,
1318,
2006,
2079,
1636,
1401,
1768,
1355,
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 |
[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch2][Ring1][S][C][C@@][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][Branch1][C][Ring1][S][S][Ring2][Ring1][=Branch1] | Cc1cc(C(F)(F)F)ccc1-c1ccc(C[C@@]2(C(=O)N[Dy])CCN(C(=O)C3(C)CCC3)C2)s1 | [
2,
1349,
1468,
1443,
1286,
1283,
1337,
452,
1302,
1274,
1477,
1691,
1288,
1441,
1284,
2166,
433,
427,
1308,
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][Branch1][C][O][Branch2][Ring2][S][C][N][C][=N][C][Branch1][=N][N][C][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][C][N][C][C][O][C][C][Ring1][=Branch1] | CC(O)(CNc1nc(NCC#Cc2cccnc2)nc(N[C@@H](Cc2cccnc2)C(=O)N[Dy])n1)CN1CCOCC1 | [
2,
1274,
1511,
2405,
1610,
438,
1687,
1363,
1518,
1388,
1357,
1321,
1668,
1460,
1467,
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][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][C][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] | CS(=O)(=O)NC1CCCC1CNc1nc(Nc2cc(Cl)c(F)c(Cl)c2)nc(N[C@H](CC(=O)N[Dy])Cc2ccc(Cl)cc2)n1 | [
2,
420,
2055,
1441,
1284,
1359,
1614,
2955,
1466,
1634,
1407,
1357,
1470,
1394,
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][C][Branch2][Ring2][P][C][N][C][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][F][=C][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch1][N][C][Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=C][C][=C][Ring2][Ring2][C][C][Branch1][C][C][O] | Cc1nc(CNc2nc(Nc3cc(F)ccn3)nc(NC(COC(C)(C)C)C(=O)N[Dy])n2)ccc1C(C)O | [
2,
1274,
1276,
2635,
1940,
1647,
1417,
1746,
1355,
1882,
1526,
429,
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][F][=C][C][=C][Ring1][#Branch1][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][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][=N][Ring2][Ring1][S] | Cc1cc(F)ccc1Nc1nc(NCc2cn3cc(Cl)ccc3n2)nc(Nc2cccc(C(=O)N[Dy])c2C(=O)O)n1 | [
2,
1349,
2360,
2500,
2426,
1408,
1342,
1302,
1369,
1499,
429,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1] | O=C(N[Dy])c1cc(Br)cc(F)c1Nc1nc(NCc2ccccn2)nc(Nc2ccc(F)c(Cl)c2)n1 | [
2,
2668,
1311,
424,
435,
1293,
1323,
1305,
1769,
1429,
1563,
1622,
1386,
2214,
1447,
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][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][#C][N][C][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][=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][N] | COC(=O)c1cc(OC)c(OC)cc1Nc1nc(NCC(F)(F)C2CC2)nc(Nc2c(C(=O)O)cccc2C(=O)N[Dy])n1 | [
2,
1621,
1382,
1956,
1489,
2727,
1972,
1497,
1278,
1495,
1343,
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][Branch1][C][Cl][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][N][C][=N][C][Branch1][O][N][C][C][=C][N][=C][N][Ring1][Branch1][C][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=C][C][=N][NH1][C][Ring1][Branch1][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2] | Cc1cc(Cl)cc(C(=O)N[Dy])c1Nc1nc(NCc2cncn2C)nc(Nc2nc(Cl)c3cn[nH]c3n2)n1 | [
2,
1855,
1429,
1615,
1768,
1829,
1309,
1305,
1836,
2103,
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][=C][N][=C][Branch2][Branch1][O][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][=N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][=Branch2][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][P][C][=N][Ring2][Ring2][=Branch2] | COc1cnc(CNc2nc(NCCc3nccc(C4CC4)n3)nc(N[C@H](CC(=O)N[Dy])Cc3ccc(Br)cc3)n2)cn1 | [
2,
2392,
2466,
2419,
2126,
2063,
1918,
1466,
1634,
1407,
1357,
1323,
1325,
1439,
420,
2011,
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][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Br][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][Ring2][Ring1][S][C][Branch1][Ring1][C][O][=C][Ring2][Ring2][=Branch2] | Cc1ccc(Nc2nc(NCc3ccccc3-c3cnn(C)c3)nc(Nc3cc(Br)cc(C(=O)N[Dy])c3)n2)c(CO)c1 | [
2,
1357,
1510,
1416,
2156,
2081,
1937,
1323,
1579,
2157,
2559,
2690,
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][C][=C][Ring1][=Branch1][O][C][C][C][C][N][C][=N][C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N] | COc1ccccc1OCCCCNc1nc(Nc2ccc3c(c2)OCO3)nc(N[C@H](CC2CCCC2)C(=O)N[Dy])n1 | [
2,
1334,
1333,
1307,
1274,
1366,
2992,
1361,
1634,
1326,
1399,
1274,
1463,
1287,
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 |
[N][#C][C][=C][NH1][N][=C][Ring1][Branch1][N][C][=N][C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=N] | N#Cc1c[nH]nc1Nc1nc(Nc2c(F)cccc2F)nc(N[C@H](CC(=O)N[Dy])c2ccc(Cl)cc2)n1 | [
2,
424,
438,
1275,
2631,
1358,
1318,
2807,
1408,
1634,
1407,
2716,
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][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring2][=C][N][C][=N][C][Branch1][N][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=N][C][=Ring2][Ring1][S][C] | CCOC(=O)c1sc(Nc2nc(Nc3nc(C)cs3)nc(Nc3ccc(OC)cc3C(=O)N[Dy])n2)nc1C | [
2,
1508,
1559,
1514,
2672,
1425,
1553,
2534,
436,
2639,
422,
1337,
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][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy] | CC(OC(C)(C)C)C(Nc1nc(Nc2ccc(-n3cncn3)cc2)nc(Nc2cc(Cl)nnc2Cl)n1)C(=O)N[Dy] | [
2,
1935,
1500,
1820,
2249,
2563,
2831,
1504,
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][C][=C][Branch2][=Branch1][C][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][NH1][Ring1][=N][=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][Branch1][C][=C][Ring2][Ring2][N][N+1][=Branch1][C][=O][O-1] | COc1ccc(Nc2nc(Nc3nc4cc(C(=O)N[Dy])ccc4[nH]3)nc(Nc3cccc4c(=O)cc(-c5nn[nH]n5)oc34)n2)cc1[N+](=O)[O-] | [
2,
1334,
2320,
1624,
1324,
1432,
1346,
442,
1724,
2155,
2883,
1652,
1327,
424,
1381,
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][=C][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][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][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC(CNc1nc(NCC2(N3CCOCC3)CC2)nc(N[C@@H](CC(=O)N[Dy])Cc2ccc([N+](=O)[O-])cc2)n1)Sc1ccccc1 | [
2,
1274,
1306,
1305,
1415,
1623,
1748,
2155,
1518,
1407,
1357,
1448,
1568,
1597,
433,
1377,
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 |