SELFIES
stringlengths 4
5.02k
| input_ids
sequencelengths 3
510
| token_type_ids
sequencelengths 3
510
| special_tokens_mask
sequencelengths 3
510
| attention_mask
sequencelengths 3
510
| length
int64 3
510
|
---|---|---|---|---|---|
[O][=C][C][C][C][Branch2][=Branch1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][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][O][=C][Ring2][Ring2][C][C][Ring2][Ring2][=Branch1][=O][C][=Branch1][C][=O][N][Ring2][Ring2][=C] | [
4,
3692,
2337,
2511,
1447,
2411,
2497,
2524,
2388,
2960,
2775,
2395,
2691,
2571,
2340,
2847,
2298,
3098,
1454,
1444,
2304,
2324,
1445,
5
] | [
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][Branch1][N][C][=C][C][=C][Branch1][C][P][C][=C][Ring1][#Branch1][C][NH1][C][=C][Branch1][C][C][C][Ring1][P][=Ring1][=Branch1] | [
4,
2381,
1447,
2327,
2308,
1463,
2776,
1466,
3425,
3081,
1468,
1450,
5
] | [
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][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][=N][N][Branch1][Ring1][C][C][C][Branch1][C][C][C][O][C][C][Ring1][P] | [
4,
2423,
2298,
2521,
2834,
1447,
2409,
2335,
2644,
2331,
3081,
5
] | [
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][Branch2][Ring1][Ring2][N][C][C][C][=N][N][=C][C][=Branch1][C][=O][NH1][C][=C][N][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch2][Ring1][O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring1] | [
4,
2298,
2690,
2378,
3297,
3290,
3299,
3073,
3609,
5
] | [
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][N][C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@H1][C][C][C][N][Ring1][Branch1][C][=C][C][=Branch1][#Branch1][=N][N][=C][Ring1][=Branch1][N][C][C][=Branch1][O][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][#N][C][Ring2][Ring1][S][=O] | [
4,
1444,
2309,
2327,
2539,
1465,
2739,
2340,
2317,
1450,
1455,
1449,
2438,
2309,
1450,
1453,
3375,
1472,
1444,
2437,
1457,
1454,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 23 |
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch1][N][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=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][=C] | [
4,
2381,
2438,
2411,
2298,
2589,
4019,
2490,
2721,
1445,
2381,
2444,
2479,
1445,
5
] | [
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][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][O][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C] | [
4,
2298,
1469,
1445,
1473,
1469,
1445,
1473,
1469,
1445,
1473,
1469,
1445,
1473,
2574,
2331,
2307,
2318,
2446,
2423,
2423,
2423,
2423,
2423,
2446,
2423,
2337,
1469,
1445,
1473,
2423,
2423,
5
] | [
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,
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,
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,
1,
1,
1,
1,
1
] | 33 |
[C][C][C][C][C][C][C][C][C][=C][C][C][N][C][C][O][C] | [
4,
2423,
2423,
2420,
3403,
5
] | [
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1
] | 6 |
[C][C][C][C][C][N][Branch2][Ring1][S][C][C][=C][N][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | [
4,
2571,
1448,
2307,
1457,
3167,
2307,
1451,
1444,
2643,
2423,
3082,
1453,
2437,
2337,
1451,
3789,
2497,
3068,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[O][=C][Branch1][#C][N][C][C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | [
4,
3692,
1447,
1462,
2355,
2309,
2941,
3082,
2310,
1447,
2329,
2304,
2401,
3315,
5
] | [
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][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | [
4,
2506,
2310,
2350,
2561,
2438,
2943,
5
] | [
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 |
[C][C][C][=C][C][C][C][C][Ring1][Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][C][C][Branch1][Ring1][C][C][C][Branch1][C][C][C] | [
4,
2298,
2420,
2298,
2607,
2356,
2344,
2599,
2298,
2335,
2644,
5
] | [
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][Branch1][C][C][C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][Ring2][Ring1][#Branch2][O] | [
4,
2298,
2356,
2307,
1463,
1444,
3241,
2310,
2492,
2370,
3330,
1451,
2368,
1453,
5
] | [
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 |
[Cl][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][=C][NH1][C][=N][C][Ring1][Branch1][=N][Ring2][Ring1][#Branch1] | [
4,
1461,
1444,
2430,
2391,
2350,
2497,
2646,
2315,
2339,
3128,
2340,
2471,
5
] | [
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][Branch2][Branch1][Ring1][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][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][O][=C][Ring1][O][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy] | [
4,
2571,
2473,
3514,
2674,
3086,
3386,
2535,
2400,
2528,
5
] | [
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][Branch2][Branch1][C][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][Branch1][C][F][F][=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][O][C][Ring2][Ring2][C] | [
4,
2354,
3137,
2365,
2394,
2455,
2476,
2374,
2402,
2542,
2298,
3100,
2367,
2313,
2331,
2318,
3469,
5
] | [
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][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][=Branch1] | [
4,
1444,
2455,
2310,
2307,
2474,
2348,
3039,
1457,
2779,
1456,
2299,
1451,
2332,
5
] | [
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][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C@@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Ring1][=Branch2] | [
4,
2499,
2401,
2331,
2331,
2501,
2302,
2582,
2298,
1464,
2739,
2487,
1451,
2367,
5
] | [
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][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][#Branch2][=N][N][C][N][Branch2][#Branch1][=Branch2][C][=C][C][=C][C][Branch2][=Branch1][=N][O][C][=C][C][=C][C][=C][C][Branch2][Ring1][=C][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch2][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][Ring1][#Branch2][C][Ring2][Ring2][=Branch1][=C][Ring2][Ring2][#Branch2][=C][Ring2][Ring2][P][C][=C][C][=C][C][Branch2][Ring1][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2][Ring2][=Branch1][=N][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][#Branch1][#Branch1] | [
4,
2506,
2317,
1452,
1460,
1449,
2303,
1448,
1452,
1455,
1458,
2497,
2511,
1449,
2519,
2317,
2307,
1445,
1479,
2643,
2643,
2401,
1445,
2299,
1451,
2367,
1448,
2307,
1446,
2317,
2896,
2344,
2317,
2489,
1444,
3098,
2352,
1460,
2352,
1463,
2497,
2307,
1457,
2497,
2307,
1451,
2327,
2357,
2401,
2748,
2575,
3069,
1451,
2367,
1451,
1450,
1449,
2329,
2896,
2344,
2299,
1451,
1455,
1455,
5
] | [
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,
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,
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,
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,
0,
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,
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,
1,
1,
1,
1,
1,
1,
1,
1
] | 65 |
[C][N][C@@H1][C][C][C@H1][Ring1][Branch1][C@@H1][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2] | [
4,
1444,
2542,
2298,
2897,
1464,
2350,
2667,
2298,
2607,
1465,
1447,
2327,
3474,
2437,
1451,
5
] | [
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@@H1][C][C@][Ring1][Ring1][Branch2][Ring2][P][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][S][O][/N][=C][/C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1] | [
4,
2298,
1464,
1444,
1477,
2607,
2482,
2411,
2298,
1464,
1447,
1457,
1453,
1481,
1445,
1469,
2779,
2367,
2298,
1446,
2361,
2994,
3386,
2312,
2920,
2460,
2599,
5
] | [
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 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][N][C][=N][C][Branch1][O][N][C][C][C][C][C][O][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] | [
4,
3692,
2335,
1448,
1459,
2497,
2308,
1475,
2454,
3461,
2858,
2568,
3201,
2916,
2400,
2379,
5
] | [
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][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][P][C][N][=C][C][=C][C][Branch1][#Branch2][O][C][=Branch1][C][=O][N][C][C][F][=C][N][Ring1][=N][C][=Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N][C][C][C][Ring2][Ring1][S] | [
4,
2303,
2566,
2310,
2307,
1463,
1444,
3662,
2412,
2318,
2488,
1456,
1445,
1448,
1446,
2300,
1468,
1457,
2401,
2744,
2355,
2437,
1457,
5
] | [
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][Branch2][Ring1][C][S][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=O] | [
4,
2298,
2307,
2583,
3150,
2502,
2349,
2997,
2523,
2299,
2474,
2704,
2948,
3003,
5
] | [
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][Branch1][C][C][N][C][=N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring1][S] | [
4,
2337,
2312,
2425,
1447,
2360,
2304,
2401,
1456,
1444,
1449,
3190,
5
] | [
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][C][=Branch1][C][=O][C][C][C][C][C][C][/C][Branch1][C][C][=C][/C][C][C][=C][Branch1][C][C][C] | [
4,
1444,
2411,
2423,
2298,
1469,
2449,
1469,
2343,
2356,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][C][O][C][C][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][N][C][C] | [
4,
2809,
2318,
1447,
2366,
2333,
2910,
2308,
2309,
5
] | [
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][O][C][C][N][Ring1][=Branch1][C][C][N][C][=N][C][Branch1][#C][N][C][C][Branch1][Branch1][O][C][C][O][C][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][Br][=C][Ring1][O][F][=N][Ring2][Ring1][=N] | [
4,
2423,
2331,
2941,
2298,
2513,
1447,
3257,
2712,
2631,
2347,
2400,
1456,
2435,
5
] | [
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][C][C][C][C][C][S][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | [
4,
2423,
2423,
3561,
2497,
2535,
2454,
5
] | [
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 |
[C][C][=C][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] | [
4,
2381,
2328,
2318,
2304,
2337,
2307,
2331,
2994,
2312,
2497,
3134,
2331,
2839,
2298,
1451,
2332,
2744,
1445,
5
] | [
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][Branch2][C][C][N][Branch1][C][C][C][N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][N][=S] | [
4,
2298,
2369,
2298,
2704,
2425,
2840,
2474,
1478,
5
] | [
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][C][N][C][=N][C][Branch1][#C][N][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=C][C][Branch1][C][Cl][=N][Ring2][Ring2][=Branch2] | [
4,
2373,
3331,
2513,
2806,
2432,
2721,
3766,
1469,
1445,
2429,
2359,
2448,
2329,
2333,
3035,
5
] | [
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][C][Ring1][=Branch1][=C][/C][=Branch1][#Branch2][=N][/C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P] | [
4,
2423,
2337,
3734,
1469,
1450,
1460,
1449,
1469,
2571,
2332,
2298,
3081,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch2][Ring2][Ring2][C][C][=N][C][=C][Branch1][P][C][Branch1][C][O][Branch1][Ring1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][S][=O] | [
4,
2358,
1447,
2485,
2491,
2298,
2888,
2298,
2457,
1447,
1463,
1444,
2535,
2335,
1444,
1456,
2461,
2315,
2329,
2685,
1444,
2437,
1457,
1454,
5
] | [
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@@H1][Branch1][P][/C][=C][/C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][O][C@][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][P] | [
4,
2737,
1447,
1463,
1469,
1445,
1469,
1444,
2304,
2337,
1465,
2487,
1453,
1477,
2512,
2304,
2643,
2310,
2307,
1458,
3241,
3101,
3190,
2299,
1451,
2332,
3510,
5
] | [
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@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][=N][N][C][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][=C][Ring1][S][=N][C][Branch1][N][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][#N][=N][Ring2][Ring1][P] | [
4,
2616,
3183,
2818,
1445,
2519,
2893,
3668,
3483,
3407,
3966,
2463,
5
] | [
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][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][F][=C][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][NH1][Ring1][=Branch2][=N][Ring2][Ring1][Branch2][C][=N][Ring2][Ring2][Ring1] | [
4,
2529,
2538,
2964,
2671,
2441,
2790,
2948,
2518,
2367,
2427,
1444,
2514,
5
] | [
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][/N][=C][/C][C@][Branch1][C][C][Branch1][Ring1][C][O][S][C][C][N][Ring1][#Branch2][C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][=C][Ring1][=N][C][C][Ring1][S] | [
4,
1444,
1449,
1481,
1445,
1469,
1477,
2312,
3583,
2690,
1448,
2368,
2298,
2307,
1450,
2310,
1447,
2452,
2356,
2441,
2841,
2298,
3190,
5
] | [
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][C][Branch1][C][C][=N][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][Ring1][C] | [
4,
2423,
2337,
3146,
2307,
1451,
2523,
2337,
2304,
3136,
1474,
2607,
1444,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][O][C][=C][C][=C][Branch2][Ring2][P][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][O][C][=N][Ring1][Branch1][=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][Ring2][Ring1][O][C][=C][Ring2][Ring2][C][Cl] | [
4,
2358,
2482,
2469,
3547,
2601,
2508,
3267,
2326,
2665,
2380,
2351,
1444,
1461,
5
] | [
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][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring1][N][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][C] | [
4,
2358,
2384,
2538,
2298,
1447,
2329,
2304,
3136,
2312,
2300,
2323,
2327,
2539,
2409,
2434,
1451,
2368,
3518,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][#C][C][Ring2][Ring1][Branch1] | [
4,
2381,
2539,
2415,
2304,
2337,
1465,
2307,
3439,
2781,
1447,
1463,
1444,
2304,
2497,
2333,
2454,
1457,
1446,
2360,
1451,
2340,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 23 |
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C] | [
4,
1444,
2455,
2415,
2304,
2310,
1447,
1445,
2327,
2887,
3315,
5
] | [
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][C][=C][Branch2][=Branch1][Branch1][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][=N][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][#C] | [
4,
3561,
2310,
2511,
2308,
2526,
2965,
2455,
2381,
2663,
2757,
2743,
2351,
1462,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][O][C][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][=C][S][C][=Ring1][Branch1][=N][Ring2][Ring1][S][C][C][C][C][O][C][Ring1][=Branch1] | [
4,
2354,
3399,
2478,
2778,
2806,
2395,
2691,
3573,
2448,
2423,
2858,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][C][Branch1][C][F][C][C][N][Branch2][Branch1][Branch1][C][C][N][C][=N][C][Branch1][S][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][Cl][=C][Ring1][O][=N][Ring2][Ring1][=N][C][Ring2][Ring2][=Branch1] | [
4,
2298,
3676,
1448,
2330,
2312,
3329,
3235,
3086,
2392,
2333,
2400,
2484,
3098,
5
] | [
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][Branch1][Ring1][C][C][C@H1][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | [
4,
2298,
1448,
2953,
1465,
2307,
2303,
2411,
2298,
2303,
3614,
1450,
1447,
3061,
2331,
3404,
2401,
1461,
5
] | [
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][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][P][O] | [
4,
3692,
2310,
2546,
2746,
2491,
2319,
1463,
1453,
5
] | [
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][=Branch1][C][=O][C][N][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][Branch2][=O] | [
4,
3059,
2309,
2870,
2298,
3076,
5
] | [
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1
] | 7 |
[C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch2][Branch1][P][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
4,
2574,
2303,
2321,
2574,
2446,
3670,
2337,
2302,
2446,
2303,
3115,
2523,
3670,
2337,
2302,
2446,
2303,
2412,
2423,
2606,
2994,
2335,
2583,
2488,
2310,
2472,
2592,
1444,
2643,
2401,
5
] | [
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,
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,
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,
1,
1,
1,
1
] | 32 |
[C][C][=C][C][=C][Branch2][Ring1][P][C][=N][C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] | [
4,
2381,
2307,
1463,
1444,
2377,
2298,
2411,
2499,
2310,
2539,
2584,
2437,
1451,
2299,
1451,
2368,
5
] | [
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+1][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][S][O][O][O][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][Ring1][=C] | [
4,
2298,
1471,
1445,
2521,
2312,
2506,
2370,
2310,
1447,
1447,
1457,
1453,
1453,
1453,
2299,
2350,
2460,
1453,
2744,
1444,
3069,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 23 |
[C][C][O][C][C][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][=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] | [
4,
2809,
1444,
2478,
2854,
3685,
2592,
1466,
2434,
2680,
2658,
1447,
3054,
2472,
2592,
3609,
5
] | [
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@H1][O][C@@H1][Branch2][Ring2][#Branch2][O][C][C@H1][O][C@@H1][Branch2][Ring1][Branch1][O][C][C@H1][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Ring2][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][#C][O] | [
4,
2318,
1465,
1453,
1464,
2597,
2318,
1465,
1453,
3192,
3606,
1465,
2318,
2535,
1465,
2535,
1464,
2535,
1464,
3789,
1465,
2535,
1464,
2535,
1464,
2437,
1451,
1453,
1465,
2535,
1464,
2535,
1464,
2437,
1462,
1453,
5
] | [
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,
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,
0,
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,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 37 |
[N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][N][C][=N][C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][#C] | [
4,
2411,
2408,
2475,
2388,
3130,
3128,
2661,
2490,
2658,
2431,
2381,
2539,
2418,
5
] | [
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][=C][C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][P][C][=Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][O][C][Ring2][Ring1][P][=Ring2][Ring1][=N] | [
4,
2358,
2343,
2597,
2523,
3622,
1447,
1463,
1444,
2548,
1449,
2401,
2775,
2298,
3168,
2312,
2298,
2437,
1446,
2318,
3510,
1474,
2748,
5
] | [
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 |
[2H][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][C][Branch2][Ring1][#C][O][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][2H][=C][Branch1][C][2H][C][Branch1][C][2H][=C][Ring1][=N][Ring1][S][=C][Ring2][Ring1][=Branch1][2H] | [
4,
1480,
2299,
2308,
1480,
1444,
2308,
1480,
2329,
2307,
1462,
1453,
2299,
2896,
2344,
2298,
2308,
1480,
1445,
2308,
1480,
1444,
2308,
1480,
2665,
3190,
1445,
1451,
2332,
1480,
5
] | [
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,
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,
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,
1,
1,
1
] | 31 |
[C][=C][C][O][C][Branch1][C][C][C][N][C][=N][C][Branch1][N][N][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=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][=C] | [
4,
2317,
2945,
2589,
2341,
2312,
3481,
2536,
2721,
2702,
3611,
2423,
2396,
2311,
2403,
5
] | [
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][#Branch1][S][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | [
4,
1444,
1455,
1457,
1462,
2561,
2497,
2699,
1444,
2338,
2643,
2993,
5
] | [
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][O][C][C][C][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][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][F][=N][Ring2][Ring1][#C] | [
4,
2317,
2949,
3185,
3891,
2377,
2598,
2326,
2400,
1456,
2418,
5
] | [
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][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch1][P][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Branch1] | [
4,
2855,
2679,
2301,
3160,
3006,
2970,
1449,
3689,
5
] | [
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 |
[Cl][C][=C][C][Branch2][Ring1][Ring1][O][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][S][C][Ring1][=Branch1][=C][N][=C][Ring2][Ring1][C][C][C][C][C][C][C][Ring1][=Branch1] | [
4,
1461,
2317,
2307,
1446,
2331,
2355,
3033,
2396,
2361,
3734,
2339,
2437,
2423,
2337,
2332,
5
] | [
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][F][=C][Branch1][C][Br][C][=C][Ring1][Branch2][N][C][=N][C][Branch1][=C][N][C][C][=Branch1][C][=O][N][C][C][C][O][Ring1][Branch1][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1] | [
4,
3692,
2335,
1448,
1459,
2317,
2588,
2347,
2386,
2586,
2488,
2334,
2340,
3327,
2909,
2471,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][O][C][=C][C][=C][Branch1][=Branch1][B][Branch1][C][O][O][C][=C][Ring1][=Branch2][C][N][C][C][S][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2] | [
4,
2358,
2414,
1483,
2535,
1453,
2592,
1444,
2309,
2361,
2344,
2772,
5
] | [
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][C][C][C][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][C][C][=C][N][Ring1][=Branch1][C][Branch1][C][C][C][O][C][C][C][Ring1][P] | [
4,
1444,
2564,
1448,
2307,
2298,
2816,
1448,
2396,
2356,
2949,
3081,
5
] | [
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][C][Branch2][=Branch1][C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=N][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch1][=C][Ring2][Ring2][N] | [
4,
3047,
2511,
2381,
2540,
2317,
2307,
1446,
2310,
3014,
2618,
2430,
2310,
2429,
2310,
2315,
3061,
2448,
3470,
2352,
1448,
5
] | [
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][Branch2][Ring1][#Branch1][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][Branch1][Branch1][C][C][Ring1][=Branch2][C][C][Ring1][O][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring2] | [
4,
3692,
2307,
1455,
2362,
2521,
2302,
1453,
3033,
2367,
2298,
1446,
2949,
2640,
2465,
1451,
5
] | [
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][Branch2][Branch1][=Branch2][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][=C][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][#C][=C][C][=C][Ring2][Ring2][=Branch1][Cl] | [
4,
2645,
2534,
2398,
2836,
2736,
2630,
2658,
2431,
2310,
2492,
2370,
2418,
2906,
1450,
1461,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][C][Branch1][C][C][O][C][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][Branch2][C][N][C][C][C][Ring1][Ring1][N][=N][Ring1][#Branch2] | [
4,
2550,
2949,
2600,
2342,
3231,
2355,
1446,
2434,
2489,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][N][C][=N][C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=N][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=N][Ring2][Ring1][O] | [
4,
3018,
2947,
2390,
2391,
2356,
3173,
2395,
3240,
2326,
2393,
2380,
5
] | [
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][Branch2][N][C][C][C][C][Ring1][Branch1][N][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C@@H1][Ring1][O][C][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1] | [
4,
3692,
3262,
2976,
2643,
1465,
1464,
1446,
2331,
2657,
2332,
3082,
5
] | [
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][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][Branch2][Ring1][Branch1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][O] | [
4,
3018,
2438,
3413,
3277,
2430,
2658,
2431,
3136,
2380,
5
] | [
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@H1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=N][Ring2][Ring1][=N] | [
4,
3692,
2335,
1448,
1459,
1465,
2412,
2381,
2438,
2453,
2348,
3271,
3036,
2299,
2840,
2684,
1446,
3061,
2435,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[O][=C][Branch1][Ring1][N][Dy][C@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][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][S][N][C][=N][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=N][Ring1][Branch2][=N][Ring2][Ring1][=Branch1] | [
4,
3692,
2335,
1448,
1459,
1465,
2307,
1451,
2381,
2492,
2370,
2469,
3917,
2410,
3582,
3280,
2808,
5
] | [
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][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | [
4,
2298,
1466,
3136,
3202,
2523,
2519,
1447,
1449,
2811,
2663,
2789,
5
] | [
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][Branch2][Ring1][N][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][S][F][C][C][S][C][=Branch1][C][=N][N][Ring2][Ring1][Branch2] | [
4,
2298,
2307,
2341,
1447,
1463,
2600,
2457,
2525,
2441,
1445,
2315,
1457,
1456,
2298,
2361,
2301,
2409,
1451,
2353,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][C][C][C@@H1][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][C][Branch1][#Branch2][N][C][C@@H1][C][C][C][O][Ring1][Branch1][=N][Ring2][Ring1][Branch2][C][Ring2][Ring1][=C] | [
4,
3692,
2335,
1448,
1459,
1465,
2298,
1464,
2796,
2851,
3428,
2775,
2660,
2522,
2869,
2340,
2427,
1444,
2437,
1445,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][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][Branch1][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][=C] | [
4,
3692,
2335,
1448,
1459,
1465,
1447,
3053,
2308,
1475,
2349,
3443,
3150,
3087,
2942,
2961,
3885,
2403,
5
] | [
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][Branch1][C][C][N][=C][Ring1][#Branch1][C][N][C][=N][C][Branch1][#C][N][C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][#C][N][C@H1][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2] | [
4,
2358,
2312,
2470,
1444,
2513,
2816,
2776,
2407,
2658,
2337,
1464,
2487,
2311,
2379,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][C][C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][O][C][Ring2][Ring1][=Branch2] | [
4,
2423,
2684,
2307,
1451,
2711,
2310,
2539,
2744,
3037,
2512,
1451,
2367,
5
] | [
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][Branch2][Ring1][N][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Ring1][#Branch2][C][C][N][C][C][Ring2][Ring1][Branch1] | [
4,
2298,
2307,
2303,
1448,
3736,
2409,
2412,
3695,
1444,
1468,
1460,
2298,
2309,
1451,
2340,
5
] | [
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][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br][C][=Branch1][C][=O][O] | [
4,
2298,
2307,
1451,
2298,
2905,
2588,
3365,
2523,
1453,
5
] | [
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][Branch2][Ring2][=Branch2][C][/C][=Branch2][Ring1][S][=C][\C][=N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][O][N][=N][Ring2][Ring1][C][C][Ring2][Ring1][#Branch2][N][Ring2][Ring1][O] | [
4,
3118,
2337,
2650,
1444,
1469,
1458,
3190,
1445,
1473,
2457,
2307,
1446,
2310,
2369,
3674,
2422,
1453,
1448,
2313,
2298,
1451,
2368,
1448,
2437,
1453,
5
] | [
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,
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
] | 27 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][N][N][C][=N][N][=C][Branch1][C][S][S][Ring1][=Branch1][=N][C][Branch1][N][N][C][=N][N][=C][Branch1][C][S][S][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][C][C][C][C][C][Ring1][Branch1] | [
4,
3692,
2335,
1448,
1459,
1464,
3065,
2589,
2782,
3871,
3494,
3871,
3175,
2571,
2340,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][N][C][C][N][Branch2][=Branch1][Ring1][C][C][=C][C][=C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][O][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2][C][C][Ring2][Ring2][O] | [
4,
1444,
3405,
3487,
3294,
2540,
2995,
3274,
2833,
2568,
2431,
2422,
3476,
2298,
2324,
1453,
5
] | [
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][Ring1][#Branch1][N][C][=C][Branch1][C][Cl][C][=N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][Ring1][N][=O][C][N][=C][NH1][N][=Ring1][Branch1] | [
4,
2298,
2307,
1455,
2342,
2525,
2409,
2369,
2298,
2465,
1451,
1444,
3252,
1444,
2339,
3444,
5
] | [
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][Branch1][Ring1][C][#N][=C][Branch1][C][F][C][=C][Ring1][=Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][S][C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][S] | [
4,
2447,
3391,
2325,
2592,
2365,
2391,
2977,
2361,
2336,
2536,
2341,
2608,
2461,
2448,
5
] | [
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][C][Branch1][=N][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=C][C][=C][Ring1][=C][N] | [
4,
2532,
2317,
1447,
1449,
2659,
3279,
1445,
2789,
1448,
5
] | [
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][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=N][C][Branch1][O][N][C][C][C][=C][C][=N][O][Ring1][Branch1][=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][#Branch2] | [
4,
3692,
2335,
1448,
1459,
2298,
2409,
1447,
2327,
3142,
3107,
2799,
3941,
3387,
3276,
2379,
5
] | [
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][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][C][C][Ring1][=N][=N][C][Branch1][P][N][C@H1][C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][#C][=C][C][=C][Ring2][Ring2][=Branch1][N][Ring2][Ring2][=Branch2] | [
4,
3692,
2373,
2507,
2526,
2735,
2684,
2893,
2423,
2748,
2402,
2658,
2298,
1464,
2392,
2367,
2418,
2906,
1450,
1448,
3051,
5
] | [
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][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][C][Branch2][Ring1][=C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring2][C][=C][Ring2][Ring2][=N] | [
4,
3145,
2562,
2382,
2425,
3265,
2630,
2940,
2539,
1445,
3315,
2405,
2346,
2351,
1449,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][C][=C][C][=C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][=C][Ring2][Ring1][#Branch1] | [
4,
2381,
1447,
1445,
2327,
2335,
1444,
1454,
3467,
1447,
2684,
2335,
1444,
1454,
2386,
1445,
1451,
2336,
5
] | [
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][Branch1][N][C][C][C][Branch1][C][C][Branch1][C][C][O][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl] | [
4,
1444,
2477,
2355,
2344,
2331,
2329,
2493,
2904,
5
] | [
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][C@@H1][Branch2][Ring2][P][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][Branch1][P][N][C][C][C][C][C][C][Branch1][Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy] | [
4,
2619,
2482,
2439,
2703,
2419,
2555,
2312,
3080,
2402,
2659,
3314,
2528,
5
] | [
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][Ring2][P][N][C][=N][C][Branch1][=Branch1][N][C][/C][=C][/Br][=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][=N][=C][C][=N][Ring2][Ring2][Ring2] | [
4,
2373,
2482,
2320,
3772,
2723,
3337,
1463,
2497,
2326,
2393,
3483,
1453,
2435,
2329,
2560,
5
] | [
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][Branch2][Branch1][#Branch1][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Branch2] | [
4,
1448,
1462,
2310,
2507,
2698,
2431,
3539,
3796,
2978,
3880,
2379,
3164,
5
] | [
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@@H1][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][#Branch2][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy] | [
4,
2628,
2538,
2365,
2366,
2633,
2318,
2489,
3587,
3303,
2537,
5
] | [
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][Branch2][=Branch1][=N][C][O][C][=C][C][=C][C][Branch2][Branch1][#C][C][=C][S][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][C][N][C][C][N][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2][=N][Ring2][Ring1][#C][=N][Ring2][Ring2][Branch1][=C][Ring2][Ring2][O][N][Dy] | [
4,
3692,
2511,
2300,
3945,
3042,
2299,
2361,
2483,
2439,
2348,
2343,
3016,
3282,
3528,
2857,
3796,
2418,
2676,
3529,
1448,
1459,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 23 |
[C][=C][C][C@H1][Branch2][Branch1][=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][Branch1][S][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy] | [
4,
2988,
2540,
2526,
2818,
3354,
2841,
3133,
2719,
2795,
2624,
5
] | [
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][S][C][=N][C][=C][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][=N][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=C][S][Ring1][=C][=N][C][Branch1][O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Branch2] | [
4,
2771,
2473,
2918,
2364,
2497,
2472,
2503,
2584,
3069,
2500,
3913,
2484,
2326,
2889,
5
] | [
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 |