SELFIES
stringlengths 4
9.29k
| input_ids
sequencelengths 3
889
| token_type_ids
sequencelengths 3
889
| special_tokens_mask
sequencelengths 3
889
| attention_mask
sequencelengths 3
889
|
---|---|---|---|---|
[C][O][C][=C][C][=N][C][Branch2][Branch1][O][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][Branch2][N][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][C@H1][Ring1][O][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=N][Ring2][Ring2][#Branch1] | [
4,
3522,
2728,
2995,
3274,
2833,
2490,
2458,
3590,
2349,
2698,
2443,
2363,
1457,
2743,
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
] |
[O][C][C@@H1][O][C][Branch1][C][Cl][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch1][Ring1][C][O][C@@H1][O][C][Branch1][C][Cl][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Ring1][N][Ring2][Ring1][#Branch2] | [
4,
2318,
1464,
2318,
2333,
2643,
1453,
1465,
3583,
1464,
2318,
2333,
2643,
1453,
1465,
2434,
1451,
2368,
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
] |
[C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl] | [
4,
2298,
3301,
2715,
3323,
2460,
1461,
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
] |
[C][C][S][C][=C][C][=C][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][O][=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][=N][C][=C][Ring2][Ring2][Branch1] | [
4,
3561,
2310,
3419,
3031,
2553,
2334,
2377,
2598,
2326,
2400,
1456,
2435,
3689,
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
] |
[C][C][C][C][C][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][C][N][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch1][=C][N][C][C][Branch1][C][C][Branch1][C][C][C][C][C][#N][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy] | [
4,
2571,
2538,
2439,
3347,
2968,
2344,
2337,
1472,
2537,
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
] |
[C][/C][=C][/C][=C][/C@@H1][C][C][C][C@H1][Branch1][C][O][C][Ring1][#Branch1] | [
4,
1444,
1469,
1445,
1469,
1445,
1499,
2337,
1465,
2512,
2336,
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
] |
[C][#C][C][C@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][S][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][=N][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy] | [
4,
2812,
1453,
3325,
3268,
3184,
3400,
2537,
5
] | [
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
] |
[C][O][C][=C][C][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][=Branch1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][=N][=N][Ring2][Ring1][N][=C][Branch1][C][Br][C][=N][Ring2][Ring2][Branch1] | [
4,
2447,
3399,
2439,
3832,
2377,
2658,
2392,
1464,
2423,
1464,
2332,
2748,
3125,
3027,
2676,
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
] |
[C][C][Branch1][C][C][Branch1][Ring2][C][C][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Cl] | [
4,
2550,
2419,
2298,
2938,
2310,
2472,
2592,
1461,
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
] |
[C][=C][C][=C][C][Branch1][=N][N][N][=C][C][C][C][C][C][C][C][Ring1][Branch2][=N][N][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | [
4,
2497,
1447,
2409,
2339,
2423,
3363,
2409,
2329,
3190,
2575,
1451,
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
] |
[C][=C][C][Branch1][C][N][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][=Branch2][Cl] | [
4,
2317,
2308,
3468,
2525,
2308,
2345,
1458,
1461,
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
] |
[C][=C][C][C][Branch1][Ring2][C][C][=C][Branch2][Branch1][=C][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][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][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy] | [
4,
2626,
2972,
2655,
2415,
2304,
2401,
2680,
3543,
2423,
2552,
2974,
2487,
2336,
2434,
2987,
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
] |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][=N][Ring2][Ring1][=C] | [
4,
3692,
2335,
1448,
1459,
2310,
2429,
2370,
2851,
3428,
2775,
3739,
3853,
2403,
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
] |
[N][C][=Branch1][C][=O][C][C][C][N][Branch2][=Branch1][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][N][=N][C][Branch2][Ring1][C][N][C@H1][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch2][=N][Ring2][Ring1][=C][C][C][Ring2][Ring2][N] | [
4,
2411,
2739,
2511,
2298,
1449,
2546,
2526,
2327,
4000,
2395,
2658,
3484,
2326,
3256,
2403,
2298,
2324,
1448,
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
] |
[C][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][N][C][C][C][C][C][C][=C][Branch2][Ring1][C][NH1][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][Branch2][C@@H1][Ring2][Ring1][Ring2][C][Branch1][C][C][C] | [
4,
2372,
2304,
1464,
2414,
2362,
2343,
2307,
1444,
1466,
2591,
2591,
2422,
2353,
1464,
2437,
1451,
1444,
2356,
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
] |
[C][=C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2][=N][C][Branch2][Ring1][=C][N][C@@H1][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C] | [
4,
2317,
2600,
3029,
3452,
2630,
2542,
2307,
1446,
2373,
3763,
2363,
1462,
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
] |
[C][=C][C][O][C][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=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,
2317,
2331,
3310,
2302,
3000,
2680,
2721,
3054,
2472,
2592,
3609,
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
] |
[C][C][=C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][Branch2][Ring1][=C][N][C@@H1][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=C][C][=C][Ring2][Ring2][Branch1][F] | [
4,
2373,
2507,
2453,
2327,
2840,
2630,
2542,
2307,
1446,
2373,
3763,
2363,
1445,
2906,
1447,
1456,
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
] |
[C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][O][N][C][C][C][C][C][O][C][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring1][O][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C] | [
4,
2877,
2549,
3461,
2858,
2508,
2341,
2369,
2341,
2601,
1445,
2422,
2363,
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
] |
[2H][C][=C][Branch2][Branch1][=Branch1][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][C][Branch1][C][2H][=C][Branch1][C][2H][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][Branch1][C][2H][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=C][Ring1][#C][Ring1][Branch2][C][Branch1][C][2H][=C][Branch2][Branch1][#Branch1][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][Branch1][C][2H][C][O][C][=C][C][Branch1][C][2H][=C][Branch1][C][2H][C][Branch1][C][2H][=C][Branch1][C][2H][C][Ring1][#Branch2][=C][Branch1][C][2H][C][Branch1][C][2H][=C][Ring1][S][C][Ring2][Ring1][#Branch2][=Ring2][Ring1][Ring1][C][Branch1][C][2H][=C][Ring2][Branch1][O][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][C][Branch1][C][2H][=C][Branch1][C][2H][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][Branch1][C][2H][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=C][Ring1][#C][Ring1][Branch2] | [
4,
1480,
2299,
2540,
2299,
2308,
1480,
1444,
2308,
1480,
2329,
2308,
1480,
1445,
2308,
1480,
2299,
2308,
1480,
1444,
2308,
1480,
1445,
2308,
1480,
2299,
2308,
1480,
1444,
2308,
1480,
1445,
1451,
3110,
2437,
1446,
2319,
1462,
2974,
2308,
1480,
1445,
2507,
2299,
2308,
1480,
1444,
2308,
1480,
1445,
2308,
1480,
2447,
2308,
1480,
1445,
2308,
1480,
1444,
2308,
1480,
1445,
2308,
1480,
1444,
2368,
1445,
2308,
1480,
1444,
2308,
1480,
2319,
2361,
1451,
2368,
1474,
2607,
1444,
2308,
1480,
1445,
1451,
2720,
2299,
2308,
1480,
1444,
2308,
1480,
2329,
2308,
1480,
1445,
2308,
1480,
2299,
2308,
1480,
1444,
2308,
1480,
1445,
2308,
1480,
2299,
2308,
1480,
1444,
2308,
1480,
1445,
1451,
3110,
2437,
1446,
2319,
1462,
2353,
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,
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,
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,
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
] |
[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Branch1][#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][O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][=C][Ring2][Ring2][#Branch2] | [
4,
2381,
2475,
3042,
2440,
2760,
3847,
2680,
2721,
3054,
2472,
2592,
2314,
2346,
3062,
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
] |
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][O][C] | [
4,
2532,
2497,
2643,
2496,
2318,
5
] | [
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1
] |
[C][=C][/C][=Branch1][Branch1][=C][\C][=C][\Cl][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][/C][=C][Branch1][C][/C][S][C][=O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | [
4,
2299,
1469,
1450,
1447,
1445,
1473,
1445,
1522,
1444,
2411,
2358,
2350,
1469,
1445,
2308,
1469,
2361,
1454,
2310,
2315,
2577,
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
] |
[C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring2][Ring1][Ring1] | [
4,
2298,
2307,
1455,
2303,
2304,
2337,
2312,
2521,
2834,
2367,
2298,
3936,
2437,
1446,
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
] |
[O][=C][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | [
4,
3692,
1447,
2309,
3101,
2963,
5
] | [
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1
] |
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][O][Ring1][=Branch2][=C][Ring2][Ring1][#Branch2] | [
4,
2373,
2719,
2328,
2657,
2356,
2302,
3136,
2596,
1444,
2656,
2547,
2367,
1445,
1451,
2368,
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
] |
[C][O][C][=C][Branch1][C][F][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][N][C][=N][C][Branch1][P][N][C][C][C][C][=C][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][Branch1][C][C][Branch1][Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch2] | [
4,
2738,
2933,
2329,
2861,
2332,
2318,
2353,
2385,
3319,
3314,
2379,
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
] |
[C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][Br][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring2] | [
4,
2358,
2540,
1448,
2307,
2331,
2304,
1481,
1445,
1469,
1445,
2299,
2414,
2455,
2298,
3930,
2460,
2310,
2321,
2303,
2732,
2370,
3186,
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
] |
[O][=C][Branch2][=Branch1][N][C][C@@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][=N][C][Branch1][#C][N][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][Ring2][Ring1][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][Dy] | [
4,
3692,
2511,
2522,
2517,
2526,
3876,
3342,
2860,
2786,
2418,
2310,
2492,
2370,
1448,
1459,
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
] |
[C][C][C][C][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][#N] | [
4,
2423,
2334,
2700,
2549,
2416,
5
] | [
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1
] |
[C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring2][Ring1][#Branch2][Ring1][#Branch1] | [
4,
2343,
2307,
1458,
2523,
2303,
2350,
3136,
3341,
2519,
2347,
2299,
1451,
3298,
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
] |
[C][C][C][Branch2][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][S][=N][Ring2][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | [
4,
2337,
2505,
3945,
2328,
2308,
2369,
2343,
2985,
2312,
2715,
2412,
2401,
1461,
1444,
2304,
2437,
1451,
1457,
2380,
2310,
2539,
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
] |
[Br][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][C][C][C][Ring1][Branch1][Br][=C][Ring2][Ring1][C] | [
4,
1467,
2497,
1447,
1463,
2401,
1448,
2355,
2340,
1467,
2575,
1444,
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
] |
[C][C][C][=C][C][=C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][F][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][Branch1][C][=Branch1][C][=O][N][Dy] | [
4,
2641,
2517,
3498,
2952,
1456,
3158,
3146,
2332,
2401,
3022,
2784,
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
] |
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][/N][=C][\S][C][=Branch2][Ring1][Ring2][=C][C][=C][C][=C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][O][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][O] | [
4,
2532,
2310,
2888,
1481,
1445,
1489,
1444,
1458,
2581,
1445,
2310,
2369,
1448,
2335,
2423,
2422,
2318,
2304,
2437,
1446,
2343,
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
] | [
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
] |
[C][O][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch2][Ring1][O][C][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][Branch2][/C][=C][Branch1][C][\C][C][#N][C][Ring1][O][Branch1][C][C][C][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1][F] | [
4,
3385,
2325,
3367,
2307,
2318,
1476,
2521,
2834,
2369,
1469,
1445,
2308,
1473,
2416,
1444,
2443,
2312,
2298,
2588,
1451,
2336,
1456,
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
] |
[C][O][C][=C][C][Branch2][Ring1][S][C@H1][N][C][=Branch1][C][=S][N][=C][Branch1][C][C][C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][Ring1][Branch2] | [
4,
2447,
2307,
1457,
1465,
4031,
1478,
2339,
2356,
2974,
2304,
2317,
2502,
2349,
2310,
1451,
2367,
2331,
2302,
2522,
2312,
1453,
1464,
2356,
2353,
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
] | [
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,
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
] |
[C][O][C][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Ring1][=N][N][Branch1][C][C][C][C][C@H1][C][C][C][O][Ring1][Branch1] | [
4,
2667,
2304,
2307,
2458,
1447,
1448,
3330,
2312,
2310,
1446,
2409,
2312,
3484,
2869,
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
] |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1][=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,
1447,
1445,
2381,
2893,
3610,
3082,
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
] |
[N][C][=C][C][Branch2][Ring1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring2][Ring1][C] | [
4,
2341,
2307,
1446,
2298,
2460,
2779,
2329,
2313,
1444,
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
] |
[C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][S][Ring1][=Branch2] | [
4,
2550,
3583,
2623,
1444,
2656,
1449,
2775,
5
] | [
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
] |
[O][=C][Branch2][=Branch1][=C][C][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][=N][Ring2][Ring2][Ring2][N][Dy] | [
4,
3692,
2511,
2329,
1465,
1447,
3053,
2539,
2388,
2366,
2860,
2786,
2898,
2425,
3091,
2451,
2360,
2302,
2545,
2298,
3081,
2560,
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,
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
] |
[N][#C][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][=O][=N][C][Branch2][Ring1][#C][N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C] | [
4,
1448,
1462,
2561,
2438,
3511,
3007,
3311,
2542,
2307,
1451,
2381,
2492,
2370,
3634,
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
] |
[C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][C][=N][C][Branch2][Ring2][=Branch1][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O] | [
4,
2447,
3384,
2317,
2300,
2934,
2366,
2307,
1458,
2355,
3392,
1445,
2575,
1451,
2575,
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
] |
[N][#C][C][=C][C][=C][Branch2][Branch1][#Branch1][C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][#C][N][C][C][C][C][=C][C][=Branch1][C][=O][NH1][NH1][Ring1][=Branch1][=N][C][Branch1][S][N][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][Branch2] | [
4,
1448,
1462,
2310,
2507,
2737,
2573,
2975,
3886,
2886,
2561,
2370,
2332,
3401,
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
] |
[C][O][C][C][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][Branch2][Branch1][=Branch2][C][=C][C][=C][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][P][C][=C][NH1][C][Branch2][Ring1][=Branch1][C@@H1][C][C][C][N][Ring1][Branch1][C][C@H1][Branch1][Branch1][C][C][O][C][N][C][=Branch1][C][=O][O][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S][=C][NH1][Ring2][Ring2][Branch1] | [
4,
2667,
1444,
2369,
2411,
2331,
2304,
2337,
1465,
2487,
2300,
2534,
2310,
2566,
2310,
2307,
1463,
3665,
2307,
1450,
1464,
2739,
2487,
1465,
3033,
2318,
2411,
1453,
3175,
2299,
1451,
2368,
2744,
1457,
1445,
1466,
3106,
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
] | [
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,
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
] |
[O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][Branch1][Ring2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
4,
3692,
1447,
2329,
1457,
2310,
2539,
2309,
2419,
2499,
2401,
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
] |
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][C][C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][S][N][C][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring1][=N][C][Branch2][Ring1][Ring2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring2][C] | [
4,
2779,
3162,
2356,
3345,
2632,
3908,
2387,
2658,
2431,
2381,
2554,
2845,
1451,
1444,
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
] |
[C][O][C@H1][C][C@@H1][Branch1][Ring1][C][O][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][Ring1] | [
4,
2334,
1465,
2737,
3583,
1448,
2307,
1446,
2523,
2447,
2502,
2904,
1444,
2437,
1446,
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
] |
[C][C][C][Branch1][C][O][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] | [
4,
2337,
2512,
2355,
1447,
1463,
1444,
2547,
2317,
2325,
3088,
2298,
3190,
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
] |
[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C@@H1][O][C@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][O][C][=Branch1][C][=S][O][C@@H1][Ring1][=Branch1][Ring2][Ring1][Ring1] | [
4,
2506,
1479,
2344,
2318,
1464,
1453,
1465,
1447,
1463,
2425,
2474,
2339,
2470,
2368,
1465,
2318,
2301,
1478,
1453,
1464,
2332,
2437,
1446,
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
] |
[C][N][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch1][S][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][S][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring2][=Branch2][=O] | [
4,
1444,
2303,
2540,
3329,
3235,
2490,
2658,
2431,
2381,
2347,
2349,
2448,
2329,
2948,
3051,
1454,
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
] |
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] | [
4,
2550,
2574,
2303,
2307,
2301,
2488,
2781,
3576,
3136,
2356,
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
] |
[C][O][C][C][C][C][=C][C][Branch1][C][F][=C][Branch2][Ring2][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][#C][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][F][=C][Ring2][Ring1][=N] | [
4,
2667,
2373,
2588,
2328,
2298,
2381,
2307,
1451,
2855,
2310,
2591,
2916,
2400,
2744,
1446,
2408,
2575,
1449,
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
] |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C][=N][C][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][F][=N][C][N][=C][NH1][C][Ring1][#Branch2][=Ring1][Branch1][=N][Ring2][Ring1][N] | [
4,
3692,
2335,
1448,
1459,
1465,
2350,
2298,
2299,
2706,
2364,
2366,
3872,
2853,
2325,
2300,
3132,
2368,
2426,
2504,
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
] |
[N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2][C][=C][Ring1][S] | [
4,
2955,
1446,
2310,
2350,
2460,
1461,
2370,
2315,
1457,
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
] |
[C][N][Branch1][C][C][C][C][=N][N][Branch1][S][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=Branch1][C][=O][C][=Ring1][S][N][Branch1][C][C][C] | [
4,
1444,
2455,
2298,
2409,
1447,
1457,
2334,
1465,
3583,
1464,
2535,
1465,
2353,
2446,
1444,
1468,
1457,
2704,
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
] |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][#C][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][O][=N][Ring2][Ring1][S] | [
4,
3692,
2335,
1448,
1459,
2310,
2347,
2349,
2622,
2735,
2963,
2491,
3176,
3980,
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
] |
[C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][N][=S][C][C][Branch1][C][F][Branch1][C][F][F] | [
4,
2657,
2307,
2298,
2310,
3142,
2474,
1478,
3695,
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
] |
[H][N][=C][Branch1][C][N][N][C][C][N][Branch2][Branch1][#Branch2][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=N][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring2][=Branch1] | [
4,
1484,
2339,
2474,
3405,
2562,
2310,
2650,
1444,
2488,
2307,
1460,
1448,
2460,
2299,
2308,
2519,
2310,
2443,
2396,
2302,
1453,
2744,
1449,
2405,
2298,
3098,
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
] |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][Ring1][Branch2][=N][C][Branch1][S][N][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=N] | [
4,
3692,
2335,
1448,
1459,
1465,
1447,
1445,
2381,
2893,
2440,
2760,
3847,
2886,
2561,
2370,
2332,
2435,
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
] |
[C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][C][#C][Si][Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][N][=N][C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C@@H1][Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring2][Ring1] | [
4,
2705,
2429,
2478,
2745,
2318,
1462,
1479,
2656,
2345,
1448,
2823,
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
] |
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][B][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][B][Ring1][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N] | [
4,
3294,
3134,
1483,
2307,
1446,
2497,
2643,
2319,
2824,
2349,
1448,
1451,
2353,
2310,
2553,
1483,
2443,
2497,
2643,
2496,
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
] |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][O][=N][C][Branch2][Ring1][=Branch1][N][C][C][Branch1][Branch1][O][C][C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][O][=N][Ring2][Ring1][#C] | [
4,
3692,
2335,
1448,
1459,
1465,
1447,
3766,
1469,
1445,
2429,
2383,
3792,
2377,
3940,
2418,
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
] |
[C][C][C][C][C][C][C][Branch1][Ring1][C][#N][N][C][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=O] | [
4,
2423,
2337,
2444,
2342,
2474,
2704,
2948,
3003,
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
] |
[C][C][=C][C][=C][Branch1][Branch1][C][#C][C][N][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O] | [
4,
2381,
1447,
2308,
2360,
1448,
2370,
2415,
2890,
2487,
1453,
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
] |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][O][N][C][C][O][C][C][Branch1][C][F][F][=N][C][Branch1][=C][N][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1] | [
4,
3692,
2335,
1448,
1459,
2310,
2347,
2349,
3652,
2374,
2375,
3785,
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
] |
[C][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][=N][C][Branch2][Ring1][#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][P] | [
4,
2787,
1449,
2349,
3456,
3921,
2432,
2658,
1447,
3053,
2308,
1475,
2349,
2363,
1463,
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
] |
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C@@H1][Branch1][C][O][C][Branch1][#Branch1][O][C][C][C][C][#N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
4,
2423,
3736,
1447,
1445,
2811,
2840,
2304,
1464,
1447,
1457,
2373,
3006,
1464,
2512,
2321,
2331,
2298,
1472,
1444,
2304,
2779,
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
] |
[C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][C][C][N][C][=N][C][Branch1][S][N][C][C][=N][N][=C][N][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][NH1][Ring2][Ring2][#Branch1] | [
4,
2729,
3137,
2364,
2664,
2339,
2703,
3361,
3596,
2333,
2454,
2363,
2300,
2518,
3135,
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
] |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][=Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][=N][C][Branch1][S][N][C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][Ring2][Ring1][=C] | [
4,
3692,
2335,
1448,
1459,
2317,
2502,
2347,
3762,
3398,
3276,
3541,
3428,
2775,
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
] |
[C][C][O][C][=C][C][=N][C][Branch2][Branch1][#C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][#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][Ring2][Ring2][=C][Ring2][Ring2][O] | [
4,
2585,
2300,
3042,
2622,
2735,
2963,
2491,
2432,
2658,
1447,
3053,
2308,
1475,
2349,
2314,
2560,
3529,
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
] |
[C][O][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=N][C][Branch1][=N][N][C][=C][Branch1][Ring1][C][#N][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][#Branch2][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | [
4,
2389,
3573,
2398,
3812,
2377,
2965,
1464,
2368,
2359,
2435,
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
] |
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][S][/C][=Branch2][Ring1][=N][=C][\C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C@@H1][Ring2][Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring2][O][C][C][=C][Ring1][O] | [
4,
2532,
2700,
2339,
1457,
1469,
1458,
2748,
1445,
1473,
1445,
2299,
1447,
1445,
2480,
2299,
3142,
2406,
2315,
1463,
1444,
2304,
1451,
2353,
1464,
2437,
2684,
2384,
2419,
2331,
2400,
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
] |
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][=C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] | [
4,
2298,
2409,
2350,
3136,
2715,
1446,
2339,
2703,
2643,
2345,
2519,
2521,
2312,
2298,
2503,
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
] |
[N][C][C][C][C][C][Branch2][Ring1][=N][C][NH1][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2] | [
4,
2564,
2307,
2300,
1466,
2339,
1447,
2327,
3474,
1468,
3584,
2298,
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
] |
[C][C][=C][C][=C][Branch1][S][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=N][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring2] | [
4,
2381,
1447,
1457,
2519,
2476,
2474,
3433,
2472,
2575,
1451,
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
] |
[C][C][=C][C][Branch1][Ring1][C][#N][=C][N][=C][Ring1][Branch2][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][#Branch2][N][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S] | [
4,
2373,
3391,
2649,
2364,
3319,
3288,
2768,
2448,
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
] |
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][=O][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][N][Ring1][#C][C][=C][Ring2][Ring1][=N] | [
4,
2358,
2701,
3059,
2870,
2600,
2339,
2412,
2779,
2361,
2434,
1446,
1462,
2744,
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
] |
[C][C][=C][C][=C][Branch1][P][O][C@H1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C] | [
4,
2381,
1447,
1463,
1453,
1465,
2310,
2429,
1464,
2368,
1453,
2744,
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
] |
[C][C][Branch1][C][C][C][C][Branch1][C][C][Branch2][Ring2][#C][C][N][C][=N][C][Branch1][O][N][C][C][O][C][C][Branch1][C][F][F][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][Ring2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][NH1][Ring1][#Branch1] | [
4,
2550,
2550,
3574,
3652,
2374,
2430,
2710,
2603,
2379,
3730,
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
] |
[C][C][Branch2][Ring2][N][C][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1][=N][C][Branch1][P][N][C][=N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][Ring1][=Branch2][=N][Ring2][Ring1][Branch2][C][C][C][Branch1][=Branch1][C][C][Ring2][Ring1][S][O][C][C][O][Ring1][#Branch1] | [
4,
2298,
2328,
2303,
2398,
2366,
2325,
2441,
3414,
2326,
2775,
2427,
2337,
2414,
2298,
2437,
1457,
2331,
2839,
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
] |
[C][C][Branch1][C][C][=N][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
4,
2550,
1449,
2331,
2800,
2419,
2298,
3241,
5
] | [
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
] |
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | [
4,
3229,
2312,
2905,
2312,
3303,
3146,
2332,
2401,
1461,
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
] |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][F][=N][C][Branch1][#Branch2][N][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][N][=C][Ring2][Ring1][#C] | [
4,
3692,
2335,
1448,
1459,
2310,
2597,
3455,
3485,
3478,
2660,
3972,
2427,
2339,
2437,
1462,
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
] |
[C][=C][Branch1][C][C][C][O][C][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][Ring2][O][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][=N][Cl][=N][C][Branch2][Ring1][Branch1][N][C][=N][NH1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][=C][Ring1][O][Ring1][Branch2][=N][Ring2][Ring1][P] | [
4,
3425,
2331,
2526,
2341,
2419,
2480,
2326,
2841,
1461,
2430,
2677,
3370,
2422,
2353,
2463,
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
] |
[C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | [
4,
2657,
2412,
2523,
2599,
3136,
2304,
3294,
1447,
1449,
2811,
2663,
2815,
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
] |
[N][C][Branch1][N][C][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][I] | [
4,
2477,
2391,
2347,
2577,
2317,
2502,
2349,
1475,
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
] |
[C][O][C][=C][C][=C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][#C][N][C][=C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][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][Ring2][Ring1][=N][N][=C][Ring2][Ring2][Ring2] | [
4,
2358,
2473,
2388,
2452,
2669,
1444,
3113,
1449,
2635,
1451,
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
] |
[C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][C][N][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][O][C][=Ring1][S] | [
4,
2337,
2704,
2302,
2343,
2474,
3162,
2350,
2497,
2646,
2345,
2318,
1468,
1457,
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
] |
[C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=C][=O] | [
4,
2343,
2643,
1453,
2299,
2307,
1455,
1444,
2304,
1464,
2356,
2781,
2310,
1448,
3361,
2310,
2437,
1451,
1444,
2437,
1445,
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
] |
[C][=C][/C][=C][Branch1][C][C][/C][=C][Branch1][C][C][\C][=Branch1][Ring1][=C][/C][C][C][Branch1][Ring2][C][C][C][C][C][C] | [
4,
2299,
1469,
1445,
2312,
1469,
1445,
2312,
1473,
1450,
3069,
1469,
2298,
2419,
2423,
2298,
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
] |
[C][S][C][=Branch2][Ring1][Ring1][=N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][S][C] | [
4,
2583,
1458,
2607,
2300,
2302,
2343,
2333,
3726,
2361,
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
] |
[N][=C][Branch1][Branch1][C][C][C][N][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=N][NH1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][=C][Ring1][O][Ring1][Branch2][=N][C][Branch1][P][N][C][C][C][C@@H1][Ring1][Branch1][C][O][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C] | [
4,
2339,
1447,
2356,
1448,
2440,
2677,
3370,
2422,
2353,
2724,
1464,
2487,
3669,
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
] |
[C][C][N][C][C][O][C][Branch2][Ring1][Ring2][C][=N][C][=Branch1][C][=O][C][=C][Branch1][Ring2][NH1][Ring1][#Branch1][N][C][C][C][Ring1][#Branch1][C][Ring1][P] | [
4,
2298,
3403,
2307,
1451,
1444,
2300,
2302,
2299,
2419,
3228,
2355,
3110,
3081,
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
] |
[C][C][N][=C][Branch2][=Branch1][C][C][N][C][=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][C][Branch2][Ring1][S][N][C][=C][Branch1][C][I][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][I][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#C][I][=N][Ring2][Ring2][C][S][C][=Ring2][Ring2][=Branch2][C] | [
4,
2298,
2339,
2511,
2298,
2365,
3851,
3475,
2342,
2308,
1475,
1444,
2521,
2302,
3692,
2308,
1475,
3114,
2319,
1462,
1475,
2346,
2583,
2871,
1458,
1444,
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
] |
[C][O][C][=C][N][=C][C][Branch2][Ring2][#Branch1][O][C][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][N][Ring1][=N][C][C][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][=C] | [
4,
3654,
2796,
2331,
2298,
2307,
1460,
2905,
2720,
2401,
2318,
2409,
2748,
2337,
1451,
2336,
2403,
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
] |
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Ring2][Ring1][Ring2] | [
4,
2337,
2312,
2600,
1449,
2303,
2307,
1460,
2523,
3668,
3859,
1444,
2437,
1451,
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
] |
[C][=C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2] | [
4,
2299,
2337,
2304,
2460,
2310,
2419,
2331,
2592,
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
] |
[C][C][=C][Branch2][Ring1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2][C] | [
4,
2343,
2307,
2749,
2476,
2521,
2302,
1453,
2665,
2574,
3101,
1448,
1451,
2368,
1444,
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
] |