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HoangHa
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selfies-train-ids

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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][C][=C][C][=C][Branch2][=Branch1][#Branch2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Branch1][Ring2][O][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][O][C][=C][Ring2][Ring2][P]
[ 4, 3338, 1460, 2317, 2492, 2300, 2483, 2331, 3664, 3780, 2886, 2345, 2692, 2435, 3519, 2351, 1463, 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][S][C][N][C][C][Branch1][Ring1][C][O][C][C][C][C][C][Ring1][Branch2][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
[ 4, 2298, 1447, 2361, 2309, 3004, 3363, 2411, 2674, 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][C][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch2][=Branch1][#Branch1][/N][=C][/C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][C][=N][C][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][C][=C][C][=Branch1][C][=O][N][Ring1][P][Ring2][Ring2][#Branch1][=C][C][Branch1][C][Cl][=C][Ring2][Ring2][#C][O]
[ 4, 2423, 2423, 1448, 2350, 2423, 2571, 2302, 2317, 2511, 1455, 1481, 1445, 1469, 1447, 2327, 2494, 1445, 2307, 2308, 3611, 2312, 2914, 2353, 2298, 2407, 2600, 2335, 2423, 2373, 2304, 3081, 3135, 2329, 2333, 2352, 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, 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, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 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][O][C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1]
[ 4, 2657, 2331, 2366, 2646, 5 ]
[ 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1 ]
[C][O][C@H1][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C@H1][Branch1][C][C][N][C][C@H1][C][C@@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][N][C]
[ 4, 2334, 1465, 2312, 2358, 2934, 1465, 2312, 2976, 2737, 1446, 2474, 2487, 2302, 2310, 2492, 2694, 1444, 2449, 2437, 2303, 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 ]
[C][C][C][C][N][C][C][Ring1][Branch1][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
[ 4, 2423, 2309, 2340, 1448, 2953, 2310, 2408, 2454, 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][Branch1][C][C][N][Branch1][C][C][C][C][C][C][N][C][=N][C][=C][Ring1][Branch1][C][C][C][C][N][C][Ring1][=Branch1]
[ 4, 2550, 2455, 2423, 2348, 2315, 2312, 2298, 2303, 2332, 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][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][=C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C]
[ 4, 3436, 2719, 1468, 1450, 2526, 3337, 2300, 2806, 2815, 2695, 2887, 3634, 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][N][C][=C][N][=C][Ring1][Branch1][C][N][C][Branch2][Branch1][=Branch1][C][C][C][N][C][=N][C][Branch1][P][N][C][C][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=N][C][=C][Ring2][Ring2][Branch2][C][C][C][C][Ring1][=Branch1]
[ 4, 1444, 2342, 2979, 2303, 2540, 2337, 3479, 4008, 2695, 2444, 2479, 1462, 1449, 3164, 2423, 2332, 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 ]
[N][C][=N][C][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch2][O][C][=C][C][=C][C][=Branch1][=Branch2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][O][B][Branch1][C][O][C][C][Ring1][O][C][Ring2][Ring1][Ring1][=C][S][Ring2][Ring1][O]
[ 4, 2305, 2650, 2298, 2488, 2307, 1460, 3945, 1450, 1458, 2319, 2301, 2302, 1453, 1453, 1483, 2593, 1446, 2318, 2437, 1446, 2584, 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][#C][C][O][C][=C][C][=C][C][Branch2][Branch1][N][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][S][=C][Ring2][Ring2][Branch2]
[ 4, 3725, 3509, 3722, 2948, 2304, 2843, 2490, 2658, 2431, 2381, 2308, 1475, 2349, 2448, 2901, 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][Branch2][Ring2][P][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring2][#Branch1]
[ 4, 2298, 2299, 2482, 3029, 2512, 2969, 3718, 2349, 2363, 1453, 1448, 2643, 3320, 1455, 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][O][C][C][=C][C][Branch2][Branch1][#Branch2][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][#Branch1][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][=C][C][=C][Ring2][Ring2][Branch2][Ring2][Ring2][O]
[ 4, 3692, 2331, 2329, 2562, 2378, 3297, 3290, 3299, 2432, 2327, 2472, 2592, 2363, 1463, 2906, 2888, 1453, 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][O][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=N][NH1][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][#C][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring2][=Branch1]
[ 4, 2499, 1448, 2335, 2337, 2715, 2622, 2677, 3544, 2299, 2472, 2315, 2489, 3311, 2658, 2431, 2381, 2492, 2370, 2714, 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 ]
[O][=C][Branch2][Branch1][Branch2][C][O][C][C@H1][C][C][C][N][Ring1][Branch1][C][=N][C][Branch1][#C][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][C][N][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][=N][Ring2][Ring1][=N][N][Dy]
[ 4, 3692, 2520, 2354, 1465, 2739, 2487, 2992, 2564, 3279, 2773, 3929, 2313, 2409, 1459, 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][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][C][=C][C][=C][Branch1][=Branch1][C][=Ring1][#C][Ring1][=Branch1][C][C][O][Ring1][=Branch1]
[ 4, 2298, 2890, 2643, 1449, 2327, 2521, 1468, 1462, 2332, 2499, 2332, 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][O][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][C][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][S][N][=C][Ring2][Ring2][#Branch1]
[ 4, 2679, 1453, 2648, 2366, 2472, 2503, 2314, 2961, 3885, 2448, 2635, 1455, 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][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
[ 4, 2298, 2860, 2312, 3061, 2337, 2860, 3237, 2497, 3134, 3362, 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][C][=C][C][Branch1][C][Cl][=C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][O]
[ 4, 3692, 2317, 2333, 2329, 1447, 2361, 2302, 3740, 3483, 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 ]
[C][C][C][C][=N][N][Branch1][Ring1][C][F][C][=Ring1][#Branch1]
[ 4, 2423, 2409, 2335, 1444, 1456, 1444, 3129, 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][C][N][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1]
[ 4, 2337, 2477, 1457, 2310, 2384, 3109, 3668, 2423, 2332, 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][NH1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][O][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
[ 4, 3692, 3104, 2412, 3695, 1444, 2535, 2665, 2401, 1456, 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][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=N][C][Branch2][Ring1][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][C]
[ 4, 2389, 3428, 2383, 2425, 3371, 3073, 3634, 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][Branch1][C][C][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
[ 4, 2914, 2307, 1448, 2811, 1447, 1449, 2811, 2554, 2315, 2329, 1449, 2401, 1466, 2367, 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][Branch2][Branch1][=C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring1][=C][N][=C][Ring2][Ring2][#Branch2][Br]
[ 4, 2373, 2972, 3126, 2310, 3090, 2442, 2347, 2591, 3103, 2514, 1445, 2635, 1460, 1467, 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][Branch1][C][Cl][C][N][C][=N][C][Branch1][#C][N][C][C][Branch1][Ring1][O][C][C][C][C][O][C][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N]
[ 4, 2299, 2525, 2513, 3600, 3023, 2385, 2342, 2347, 2549, 2363, 1448, 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][Ring1][N][C][=N][C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][=N][C][Branch2][Ring1][N][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][N][=Ring2][Ring2][=Branch1]
[ 4, 2298, 2299, 2473, 2623, 3227, 3179, 2658, 2431, 2381, 2472, 2592, 2313, 2409, 2521, 2356, 3320, 1450, 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 ]
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][=C][C@H1][Branch2][Branch1][Branch1][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][Ring2][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][S][C][Ring2][Ring2][=Branch1]
[ 4, 3692, 2335, 1448, 1459, 1464, 2299, 1465, 2517, 2439, 2348, 2343, 3016, 3282, 3604, 2415, 2304, 2401, 3181, 3098, 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 ]
[C][C][=N][N][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]
[ 4, 2298, 2409, 2356, 2333, 2910, 2488, 2327, 2357, 2405, 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][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=C][C][N][C][C][Branch1][C][O][C][N][Branch1][C][C][C][=C][C][=C][Ring1][#C][Ring2][Ring1][=Branch1]
[ 4, 2298, 2327, 2357, 2317, 1447, 2329, 2309, 2512, 2455, 2310, 1446, 1462, 1451, 2332, 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@H1][C@@H1][Branch2][Branch1][=N][C@@H1][O][C@][Branch2][Ring2][=C][C][C@H1][Branch1][C][C][C@H1][Branch1][S][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][P][C@H1][Ring2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring2][C][C][C][Ring2][Ring2][=Branch1][Branch1][C][C][C]
[ 4, 2420, 1465, 1464, 2885, 1464, 1453, 1477, 2328, 2329, 1465, 2312, 1465, 1447, 1457, 2446, 2298, 2401, 1464, 3081, 1465, 1451, 2367, 2446, 2298, 3136, 2715, 2324, 2337, 3098, 2356, 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][C][C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][#C][C][=Ring1][S][O][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring1][P][=O]
[ 4, 2423, 2299, 2307, 1455, 1444, 2535, 2492, 2461, 2372, 1468, 1457, 2331, 2298, 3330, 2312, 1447, 1463, 2497, 3134, 2331, 2839, 1444, 3081, 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, 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 ]
[O][B][Branch1][C][O][C][=C][C][Branch2][Ring1][#Branch2][C][N+1][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring1][S][=C][C][Branch2][Ring1][#Branch2][C][N+1][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring1][S][=C][Ring2][Ring2][Branch2]
[ 4, 1453, 1483, 2535, 2317, 2307, 3439, 1471, 1445, 2299, 1447, 1462, 2310, 2497, 2699, 2315, 1457, 2329, 2307, 3439, 1471, 1445, 2299, 1447, 1462, 2310, 2497, 2699, 2315, 1457, 2901, 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][=C][C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][=N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][O][=N][Ring2][Ring1][=C][=C][C][=C][Ring2][Ring2][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
[ 4, 2373, 3284, 3443, 3150, 3087, 2942, 2385, 2998, 2571, 2443, 2403, 2906, 1450, 2519, 2893, 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][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][=N][C][Branch2][Ring1][C][N][C][=C][N][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring1][#Branch2][=N][Ring2][Ring1][S]
[ 4, 1448, 1462, 3890, 2526, 2818, 3354, 2841, 2395, 2836, 2326, 2489, 2448, 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][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2]
[ 4, 2381, 2307, 1462, 2415, 2304, 2401, 2342, 2629, 2459, 2299, 1451, 2353, 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][Ring1][C][#N][=C][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][Br][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][#C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#N][=N][Ring2][Ring1][=N][S][Ring2][Ring2][Branch1]
[ 4, 2373, 3391, 2473, 3601, 2493, 2325, 3103, 3598, 2416, 2435, 1457, 3106, 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][C][=C][Branch2][Ring2][P][N][C][=N][C][Branch1][#Branch2][N][C][C][N][=C][O][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][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring2][=Branch1]
[ 4, 2729, 2482, 2802, 3854, 2508, 3267, 2326, 2665, 2835, 2472, 3679, 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][=Branch1][C][=O][C][C][N][=C][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][C][Branch1][C][O][C][C][C][C][C][Ring1][Branch1][=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][O][S][C][=Ring2][Ring1][P][C]
[ 4, 2637, 2339, 2524, 2982, 2593, 3009, 2395, 2658, 3484, 2326, 3256, 2380, 2361, 1474, 3081, 1444, 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][C@@][Branch1][C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][#Branch2][N][C][C][S][=Branch1][C][=O][C][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2][=N][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]
[ 4, 2615, 2796, 2802, 3675, 2886, 3452, 2878, 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][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][N][C][C@H1][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][#Branch2]
[ 4, 2727, 3509, 3549, 3443, 3347, 3535, 3872, 3553, 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 ]
[N][#C][C][=C][Branch2][Ring2][O][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][N][=N][S][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][C][C][C][Ring2][Ring1][#C]
[ 4, 1448, 1462, 2299, 2567, 2469, 3124, 3380, 2790, 2493, 2470, 2363, 1458, 2337, 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 ]
[O][=C][Branch2][Ring1][C][C][C][=C][Branch1][C][O][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C@H1][C][C][O][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][Ring1][O]
[ 4, 3692, 2307, 2298, 2299, 2535, 3827, 2370, 2332, 2658, 2499, 3201, 2549, 2443, 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][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][#C][C][=C][C][C][C][C][Ring1][=Branch1]
[ 4, 2358, 2476, 2715, 1462, 2420, 3082, 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 ]
[O][=C][Branch1][Ring1][N][Dy][C][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][C][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][=Branch1][Ring1][Ring1][=N][C][Branch2][Ring1][C][N][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][O][C][C][C][Ring2][Ring1][S]
[ 4, 3692, 2335, 1448, 1459, 1444, 2482, 3599, 3968, 3322, 2539, 2405, 2313, 2949, 2437, 1457, 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][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]
[ 4, 2498, 2406, 2386, 2523, 2310, 2429, 2833, 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][N][=C][Branch2][Ring2][N][N][C][=N][C][Branch1][=C][N][C][C][C][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch1][=N][C][Branch1][P][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][N][=C][Ring2][Ring1][S]
[ 4, 3416, 2573, 3102, 4009, 2850, 2399, 2339, 2437, 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 ]
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Ring1][S][N][=C][Ring2][Ring1][=Branch1][C][N][Ring2][Ring1][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
[ 4, 3692, 2335, 1448, 1459, 1464, 2299, 2597, 2310, 2307, 1445, 2310, 2307, 3037, 3711, 2942, 2315, 1457, 2339, 1451, 2396, 1448, 2437, 2446, 2358, 2310, 2370, 2332, 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 ]
[ 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, 1 ]
[ 1, 1, 1, 1, 1, 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][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][C][=C][Ring2][Ring1][Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S+1][Ring1][#Branch2][O-1]
[ 4, 2343, 2307, 2329, 3334, 3334, 2313, 2381, 1451, 2353, 2327, 2357, 1485, 2368, 1470, 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][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C]
[ 4, 2571, 1469, 1445, 1473, 1469, 1445, 1473, 1469, 1445, 1473, 1469, 1445, 1473, 2571, 3611, 2512, 1453, 1463, 2302, 2535, 2331, 2411, 2423, 2337, 1469, 1445, 1473, 2571, 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 ]
[ 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, 1 ]
[ 1, 1, 1, 1, 1, 1, 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][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][C][C][O][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][Ring1][O]
[ 4, 2298, 2460, 2337, 3403, 2369, 2574, 2331, 2443, 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][=Branch1][C][=O][C][=C][C][Branch2][=Branch1][Branch1][N][C][=N][C][Branch2][Ring2][Ring1][N][C][=C][C][=C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][C][=N][C][Branch2][Ring1][Ring1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring2][Branch1][=C][C][=C][Ring2][Ring2][N][Cl]
[ 4, 2645, 2511, 1447, 2305, 3210, 3326, 2806, 1444, 2492, 2575, 1444, 2385, 2691, 2423, 3082, 2676, 2906, 1448, 1461, 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 ]
[C][C][C][C][=N][N][Branch1][N][C][C][S][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][=N][N]
[ 4, 2423, 2409, 1447, 3651, 2460, 2318, 2304, 1446, 2409, 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][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][#Branch1][C][N][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][C][=C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch2][C][Ring1][=C][=C][Ring2][Ring1][C][C][=Ring1][O][Ring1][#C][C][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Branch1][Ring1][Ring2][Branch1][O]
[ 4, 2550, 2401, 2310, 1452, 1455, 2657, 2328, 2381, 2307, 1450, 2497, 3134, 4051, 2744, 1446, 2310, 2307, 1463, 2310, 2310, 2779, 1448, 3231, 3069, 2575, 2298, 1468, 1453, 1446, 1462, 2299, 1451, 2367, 2299, 1451, 2335, 1451, 2720, 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 ]
[ 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, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 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][#Branch2][C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][C][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][Ring1][=N][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][P][N][Dy]
[ 4, 3692, 2511, 1460, 2737, 1447, 3053, 2308, 1475, 2349, 2648, 3992, 2695, 4047, 2463, 1448, 1459, 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][C][=C][C][Branch2][=Branch1][Branch1][O][C][C][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][Ring2][Ring2][Ring2][=C][Ring2][Ring2][#C][C]
[ 4, 3294, 2511, 1447, 2949, 3667, 2746, 3041, 2841, 3179, 2327, 2392, 2492, 2815, 2560, 2352, 2360, 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 ]
[O][=C][Branch1][#Branch2][C][C][C][C][C][N][C][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Br]
[ 4, 3692, 2412, 2571, 2303, 2332, 2342, 2347, 3201, 2386, 1467, 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][=Branch1][C][=O][C][Branch1][C][O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C]
[ 4, 3059, 2535, 3232, 2834, 5 ]
[ 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1 ]
[C][C][=C][C][=C][Branch2][Ring1][#C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][O][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1]
[ 4, 2381, 2307, 2360, 2312, 2600, 2321, 2411, 1453, 2521, 2312, 2550, 2343, 1451, 2332, 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][N][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][Branch1][C][C][=O][C][C][Ring2][Ring1][Branch1]
[ 4, 2372, 2355, 2307, 1452, 1444, 2304, 3136, 2704, 2732, 2298, 1451, 2340, 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][N][=C][Branch2][Branch1][P][C][C][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][F][=C][Ring1][O][=N][C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring2][C][S][Ring2][Ring2][#Branch2]
[ 4, 3167, 3115, 2298, 3738, 3882, 2508, 2542, 2431, 2381, 2893, 2621, 1457, 3495, 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][N][=C][S][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Ring1][=N][N][Ring1][=C][Ring1][O]
[ 4, 2298, 2781, 2361, 2896, 2362, 2607, 2409, 1446, 2400, 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][C][C][C][C][C][/C][=C][/C][=C][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][C][O]
[ 4, 2423, 2423, 2337, 1469, 1445, 1469, 1445, 1469, 1445, 1469, 1445, 1469, 2834, 2335, 2354, 1453, 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 ]
[O][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O]
[ 4, 3692, 1447, 1463, 1448, 2460, 2497, 2646, 2739, 2412, 2523, 2599, 2298, 2443, 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][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][O][N][=Ring1][#C]
[ 4, 3425, 2704, 2302, 2343, 1447, 1462, 2358, 2539, 1456, 1453, 2555, 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][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2]
[ 4, 2381, 2887, 2303, 2800, 2419, 2809, 2367, 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][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Br][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][O][C][Branch1][C][F][=C][Ring2][Ring2][Ring1]
[ 4, 3692, 2335, 1448, 1459, 2310, 2524, 2794, 4028, 2875, 2347, 3011, 2835, 2325, 3435, 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][Branch2][Branch1][S][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][=C][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2][C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][=C][Ring2][Branch1][C]
[ 4, 2783, 2361, 2526, 3337, 2300, 2806, 2815, 2490, 2721, 1445, 2381, 2893, 2314, 2560, 1444, 2350, 2331, 2354, 2340, 1445, 1451, 2308, 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][=C][C][C@H1][Branch2][Ring2][=Branch1][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][C][Branch1][N][N][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][Dy]
[ 4, 2825, 1450, 2398, 2774, 2441, 3494, 3627, 3226, 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 ]
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][=C][N][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][=C]
[ 4, 1448, 1462, 2401, 2918, 2327, 2492, 2370, 2314, 2929, 2502, 2904, 2403, 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 ]
[Cl][CH1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
[ 4, 1461, 1503, 2298, 2545, 5 ]
[ 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1 ]
[C][C][=N][C][=C][N][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][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][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S]
[ 4, 2298, 3341, 1449, 2546, 3511, 3007, 2536, 2658, 1447, 1457, 2373, 3006, 2363, 1457, 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][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][O][Ring1][Branch1]
[ 4, 3692, 1447, 2361, 2361, 1449, 2401, 2833, 1448, 2350, 2381, 1453, 1446, 2449, 2299, 2663, 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][C][=C][C][Branch2][Branch1][Branch1][/C][=C][\S][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][O][=O][=C][Ring2][Ring2][Ring1]
[ 4, 2498, 2517, 1469, 1445, 1489, 2310, 2307, 2300, 2488, 2451, 2327, 2553, 1444, 2356, 3069, 2299, 1451, 2332, 2704, 2437, 1453, 1454, 3435, 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 ]
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=N][NH1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][N][Ring1][=Branch2][=N][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Ring2][Cl]
[ 4, 3692, 2335, 1448, 1459, 2310, 2520, 2383, 2638, 3979, 2377, 2677, 2310, 2472, 2618, 2367, 2435, 3186, 1461, 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][S][C][=C][C][=C][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][#Branch1]
[ 4, 3561, 2310, 3438, 3456, 3921, 2790, 2308, 1475, 1445, 2349, 2363, 1462, 3348, 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][C][=O][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#C]
[ 4, 2317, 3611, 2331, 2331, 2411, 2519, 2299, 1447, 1448, 2331, 2401, 2310, 2437, 2607, 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][O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][C][Branch1][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][#Branch1][N][C][Branch1][C][C][N][S][Ring2][Ring1][Ring1]
[ 4, 2532, 2317, 1447, 2360, 2449, 2779, 1445, 2321, 2303, 3531, 1457, 2437, 1446, 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 ]
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][N][C][=N][C][Branch1][S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1]
[ 4, 3692, 2335, 1448, 1459, 2497, 2308, 1475, 2454, 3305, 3006, 3638, 3395, 2471, 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][Ring1][C][=N][C][=C][C][Branch1][Ring1][C][C][C][Branch1][C][C][C]
[ 4, 2337, 2335, 1444, 3150, 2335, 2644, 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][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Branch2][C][Ring1][P]
[ 4, 2298, 2415, 2890, 2307, 1451, 2523, 2477, 2301, 3611, 2298, 2974, 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 ]
[C][O][C][=C][C][=C][Branch2][Branch1][#C][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][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][=Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][P]
[ 4, 2679, 1462, 3503, 3215, 2630, 2940, 2539, 1445, 3315, 2405, 2346, 2301, 2450, 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][Branch2][Ring2][P][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C@@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][O][N][=Ring2][Ring2][Ring1]
[ 4, 2298, 2299, 2482, 2398, 3829, 2377, 2721, 3766, 1469, 1445, 2546, 2311, 2435, 1453, 1448, 1474, 2437, 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 ]
[O][=C][Branch2][Branch1][P][C][C][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1]
[ 4, 3692, 3115, 2298, 2918, 4057, 2797, 2493, 2333, 3103, 2560, 2458, 2485, 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 ]
[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][Branch1][O][C][C][O][C][=C][Ring1][#Branch2][C][Ring1][S]
[ 4, 3692, 2593, 1444, 2304, 1447, 1462, 2310, 1447, 2986, 1453, 2370, 1444, 3190, 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][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C@@H1][C][C@H1][Branch1][C][F][C][N][Ring1][=Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][=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][Ring2][C]
[ 4, 2532, 2298, 2449, 2985, 1450, 2478, 2522, 2698, 2475, 2941, 2373, 2832, 2922, 3103, 2621, 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@][Branch1][C][C][C][C][N][C][Ring1][=Branch1][C][C]
[ 4, 1444, 1469, 1445, 1603, 2312, 2298, 2303, 2332, 2298, 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][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][Ring1][C][N][C][C][N][Ring1][N]
[ 4, 2358, 2321, 2357, 2331, 2335, 1444, 3405, 2434, 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][N][C@@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Ring1][#C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S]
[ 4, 2358, 2328, 2753, 1466, 3136, 3202, 2337, 2304, 2412, 2423, 3316, 2920, 1446, 1462, 1451, 2368, 2744, 1457, 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][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2]
[ 4, 3692, 2335, 1448, 1459, 2317, 2308, 1475, 1445, 2349, 3413, 3277, 2385, 2394, 3891, 2399, 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][Branch2][Ring2][Branch2][C][=N][C][Branch2][Ring1][=N][C][O][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][C][C][=C][S][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
[ 4, 2381, 2701, 1444, 2316, 2300, 2446, 1444, 1447, 1462, 3241, 1461, 1444, 2464, 1457, 1451, 2336, 2744, 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 ]
[C][C][C][Branch1][C][C][Branch1][Ring1][O][C][C][Branch1][C][O][C][Branch1][C][C][O][C]
[ 4, 2337, 2312, 2384, 2512, 3394, 5 ]
[ 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1 ]
[O][=C][Branch1][C][O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][S][C][=Branch1][C][=O][NH1][Ring1][=Branch1]
[ 4, 3692, 2593, 2465, 2308, 2304, 2343, 3731, 2332, 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][O][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring2][#C][C][=C][N][C][=Branch2][Ring2][C][=N][C][Branch1][Ring1][C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][C][=C][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][S]
[ 4, 3229, 3405, 2524, 2299, 2303, 1458, 1451, 1444, 2323, 1446, 2298, 2454, 2704, 2323, 2327, 2539, 2584, 1446, 2338, 1451, 2368, 2298, 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, 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 ]
[O][=C][Branch2][Branch1][#C][C][C][Branch2][Branch1][C][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][=N][Ring2][Ring1][=C][C][C][C][C][C][Ring2][Ring2][Branch1][N][Dy]
[ 4, 3692, 2330, 2718, 2505, 3072, 2361, 2300, 2786, 3721, 3041, 2618, 2403, 2571, 3106, 1448, 1459, 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][O][C][=C][C][=C][Branch2][=Branch1][=Branch2][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=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][Ring1][O][C][Branch1][C][C][C][Ring2][Ring2][=N]
[ 4, 2499, 2310, 2511, 1458, 2476, 2440, 2638, 2472, 2370, 1444, 3475, 2342, 2308, 1475, 1444, 2521, 2302, 3692, 2308, 1475, 3114, 2319, 1462, 1475, 2514, 2945, 2324, 1449, 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 ]
[ 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, 1 ]
[ 1, 1, 1, 1, 1, 1, 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][Branch1][C][N][C][=N][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][Branch1][Branch1][C][F][F]
[ 4, 2343, 2308, 2348, 2941, 2423, 3963, 2374, 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][Branch1][C][O][C][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][O][Ring1][#Branch1]
[ 4, 3692, 2593, 1444, 2341, 3150, 2493, 2345, 2839, 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][Branch1][Ring1][C][O][N][C][C@@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring2][=N][=O]
[ 4, 2298, 3583, 2522, 2312, 3192, 3439, 2455, 2381, 2412, 1457, 2401, 2315, 2547, 2299, 2307, 1460, 2411, 2381, 2412, 3723, 2422, 2310, 2437, 2308, 2324, 1449, 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, 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, 1 ]
[ 1, 1, 1, 1, 1, 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][Branch2][Ring1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][Branch1][C][C][C][S][Ring2][Ring1][Ring1]
[ 4, 2381, 2307, 2308, 3180, 2337, 2368, 2356, 1457, 2437, 1446, 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 ]
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Size of downloaded dataset files:
23.9 GB
Size of the auto-converted Parquet files:
23.9 GB
Number of rows:
200,904,153