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2485
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2486
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2488
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2489
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2492
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2493
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2494
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2495
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2496
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2497
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2498
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2499
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2501
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2502
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2503
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2504
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2505
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2506
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2507
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2508
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2509
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2510
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2511
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2512
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2513
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2514
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2515
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2516
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2517
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2518
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2519
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2520
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2521
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2522
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2523
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2524
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2525
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2526
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2527
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2528
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2529
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2530
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2531
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2532
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2533
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2534
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2535
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2536
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2537
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2538
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2539
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2540
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2541
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2542
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2543
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2544
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2545
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2546
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2547
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2548
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2549
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2550
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2551
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2553
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2554
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2555
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2556
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2557
+ "c2cc cc(",
2558
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2559
+ "[NH+] 2",
2560
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2561
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2562
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2563
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2564
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2565
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2566
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2567
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2568
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2569
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2570
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2571
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2572
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2573
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2574
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2575
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2576
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2577
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2578
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2579
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2580
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2581
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2582
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2583
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2584
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2585
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2586
+ "( [O-])",
2587
+ "c3 n",
2588
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2589
+ "c( OC)",
2590
+ "# N",
2591
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2592
+ "CCCC 2",
2593
+ "CN 1",
2594
+ "c( N)",
2595
+ "C c1ccc(C",
2596
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2597
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2598
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2599
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2600
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2601
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2602
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2603
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2604
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2605
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2606
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2607
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2608
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2609
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2610
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2611
+ "C1 CC1",
2612
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2613
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2614
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2615
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2616
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2617
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2618
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2619
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2620
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2621
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2622
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2623
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2624
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2625
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2626
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2627
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2628
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2629
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2630
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2631
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2632
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2633
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2634
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2635
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2636
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2637
+ "CCC [NH+]",
2638
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2639
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2640
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+ "n n1",
2642
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2643
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2644
+ "NC(=O) C1",
2645
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2646
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2647
+ "cc 3",
2648
+ "OC O",
2649
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2650
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2651
+ "N1 C(=O)",
2652
+ "n 2)",
2653
+ "c2) c1",
2654
+ "C(C) (C)C",
2655
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2656
+ "O CC(=O)N",
2657
+ "c2ccc3 c(",
2658
+ "c4 )",
2659
+ "=S )N",
2660
+ "N c1n",
2661
+ "Cc1 cn",
2662
+ "c5 ccccc",
2663
+ "NC(=O) C2",
2664
+ "(N) =O)",
2665
+ "CC S(=O)",
2666
+ "F)cc 2",
2667
+ "P (=O)",
2668
+ "ccccc 2",
2669
+ "(Cl) c1",
2670
+ "O) cc1",
2671
+ "c1ccc(C 2",
2672
+ "CC c1n",
2673
+ "C(C) (C)",
2674
+ "c(Cl) c1",
2675
+ "c2ccc( N",
2676
+ "C( N",
2677
+ "n cn",
2678
+ "(C 2",
2679
+ "c( S",
2680
+ "c3 cc(",
2681
+ "( CCC",
2682
+ "C #",
2683
+ "c(F) c1",
2684
+ "c2 s",
2685
+ "3) C2",
2686
+ "C S(=O)",
2687
+ "CCO CC1",
2688
+ "CC1 (C)",
2689
+ "OCC )",
2690
+ "CN (C(=O)",
2691
+ "c( O)",
2692
+ "n cc1",
2693
+ "cc c1",
2694
+ "CO c1cc(",
2695
+ "3 CCCC",
2696
+ "Cc1cc (C)",
2697
+ "N2 C(=O)",
2698
+ "CC (CC",
2699
+ "CC[NH+] 1",
2700
+ "c1 =O",
2701
+ "N =",
2702
+ "C 3)",
2703
+ "c s1",
2704
+ "n 3)",
2705
+ "c3ccc 4",
2706
+ "I )",
2707
+ "c2cc 3",
2708
+ "CC (C)C)",
2709
+ "CC 4",
2710
+ "C )cc1",
2711
+ "c2n c(",
2712
+ "s 2)",
2713
+ "C(F)(F) F",
2714
+ "C= C",
2715
+ "C(=O)N C(",
2716
+ "c(C 2",
2717
+ "c2) CC1",
2718
+ "c1n cc",
2719
+ "(C) C1",
2720
+ "(C O)",
2721
+ "CC(=O)N 1",
2722
+ "(C) c1",
2723
+ "CCC( O)",
2724
+ "c4 cc",
2725
+ "C(=O)N 2",
2726
+ "s c1",
2727
+ "( [NH3+])",
2728
+ "CO C1",
2729
+ "[O-]) C1",
2730
+ "OC )cc1",
2731
+ "c1ccc( O",
2732
+ "C(=O)N (",
2733
+ "CO c1ccc",
2734
+ "(=O)N 2",
2735
+ "C c1cccc",
2736
+ "(C)C )cc1",
2737
+ "n1 )",
2738
+ "3 )cc1",
2739
+ "=C( N",
2740
+ "l )",
2741
+ "CCC =",
2742
+ "(F) c1",
2743
+ "c(C) cc",
2744
+ "c2n cc",
2745
+ "(Cl)cc 2",
2746
+ "(C #N)",
2747
+ "OC 3",
2748
+ "n 2)cc1",
2749
+ "ccc2 1",
2750
+ "c1 s",
2751
+ "(C)C (C)",
2752
+ "(C(=O)N C",
2753
+ "CN (C)",
2754
+ "[NH2+] C",
2755
+ "OC) c1",
2756
+ "C(C #N)",
2757
+ "c1n c(",
2758
+ "CC 4)",
2759
+ "CO c1cc",
2760
+ "( N",
2761
+ "CCCCC 2",
2762
+ "C1 =",
2763
+ "F)cc 2)",
2764
+ "C1 )",
2765
+ "s1 )",
2766
+ "n c(C)",
2767
+ "ccccc 3",
2768
+ "=O) c1",
2769
+ "C OC",
2770
+ "o 2)",
2771
+ "CO c1cc(C",
2772
+ "c2cc (Cl)",
2773
+ "CCO CCO",
2774
+ "CCCC O",
2775
+ "c3cc cc(",
2776
+ "CCN (CC)",
2777
+ "c2ccc( OC",
2778
+ "c(C (C)",
2779
+ "N (C",
2780
+ "N (C)",
2781
+ "F)cc c1",
2782
+ "C(C O)",
2783
+ "N (C(=O)",
2784
+ "[NH2+] C1",
2785
+ "c 7",
2786
+ "OC(C) =O)",
2787
+ "c3 cn",
2788
+ "n 4",
2789
+ "CCN (C",
2790
+ "CN (C",
2791
+ "(CC O)",
2792
+ "S C",
2793
+ "c5ccccc 5",
2794
+ "= C1",
2795
+ "c1 cs",
2796
+ "c1ccc( F)",
2797
+ "o c(",
2798
+ "(C)C 2",
2799
+ "C (C(=O)",
2800
+ "c(N 2",
2801
+ "CCO CC2)",
2802
+ "CC c1ccc(",
2803
+ "( CCCC",
2804
+ "c2cc (C",
2805
+ "c2ccc( Br",
2806
+ "c3ccc (C",
2807
+ "[nH] c(",
2808
+ "3) CC2)",
2809
+ "NC(=O) C",
2810
+ "O CCC",
2811
+ "( c2ccccc",
2812
+ "n o1",
2813
+ "(=O)N 1",
2814
+ "c(OC) c1",
2815
+ "c2cc (C)",
2816
+ "ccc 4",
2817
+ "C(O) C(O)",
2818
+ "CCO C1",
2819
+ "O CC1",
2820
+ "c2ccc (C)",
2821
+ "c1cc2 c(",
2822
+ "c2cccc 3",
2823
+ "O) cc",
2824
+ "o 1)",
2825
+ "=O) cc",
2826
+ "c [nH+]",
2827
+ "CC OC",
2828
+ "O= S(=O)",
2829
+ "CCCC (C)",
2830
+ "N =C",
2831
+ "CCC n1",
2832
+ "3 CCO",
2833
+ "c4 cccc",
2834
+ "c2 C)",
2835
+ "c2n cn",
2836
+ "C( =",
2837
+ "c( Br)",
2838
+ "CCC 4",
2839
+ "c2 cs",
2840
+ "c2cccc (C",
2841
+ "c( O",
2842
+ "[n +]",
2843
+ "CCCCC 2)",
2844
+ "(C)C) c1",
2845
+ "C1 CCCCC1",
2846
+ "F)cc 3)",
2847
+ ") C(=O)N",
2848
+ "Cc1cc (C",
2849
+ "(Cl)cc c1",
2850
+ "CCCC 2)",
2851
+ "c1n nc(",
2852
+ "c1 2)",
2853
+ "n c2)",
2854
+ "C( =C",
2855
+ "c1 c(C)",
2856
+ "(Cl)cc 2)",
2857
+ "ccccc 6",
2858
+ "C1 2",
2859
+ "% 1",
2860
+ "C( NC(=O)",
2861
+ "OC(C O)",
2862
+ "(CC 2",
2863
+ "c2cc (F)",
2864
+ "c1ccc( N2",
2865
+ "o 2)cc1",
2866
+ "c1ccc s1",
2867
+ "[O-] )cc",
2868
+ "C2 =O)",
2869
+ "c1ccc nc1",
2870
+ "=C( N)",
2871
+ "C= C1",
2872
+ "c1cc( N",
2873
+ "3 CCCCC",
2874
+ "CCC )",
2875
+ "C( =S)N",
2876
+ "c(C #N)",
2877
+ "c2 1",
2878
+ "[N -]",
2879
+ "CC O)",
2880
+ "n2 cc",
2881
+ "c( S(=O)",
2882
+ "CCCN (",
2883
+ "C (C(=O)N",
2884
+ "c1n cn",
2885
+ "n1 C",
2886
+ "c2ccc (F)",
2887
+ "C[NH+] 2",
2888
+ "NC(=O) CS",
2889
+ "c2n nc(",
2890
+ "( O",
2891
+ "n2 cn",
2892
+ "(C (C)C)",
2893
+ "c3ccccc 2",
2894
+ "n 2)c1",
2895
+ "[NH2+] C2",
2896
+ "Cc1cc 2",
2897
+ "N) =O)",
2898
+ "s 3)",
2899
+ "O C(=O)N",
2900
+ "C1 CCC",
2901
+ "F)cc 3",
2902
+ "CCCCC 1)",
2903
+ "O c1ccc(",
2904
+ "(C)C )cc",
2905
+ "N C(C)",
2906
+ "CN1 C(=O)",
2907
+ "= [NH2+]",
2908
+ "C1 O",
2909
+ "c( OC",
2910
+ "c6 ccccc6",
2911
+ "S 1",
2912
+ "CC1 (",
2913
+ "S CC(=O)N",
2914
+ "c1 [nH]",
2915
+ "c2) C1",
2916
+ "c2 c(C)",
2917
+ "= CC(=O)",
2918
+ "c3ccc4 c(",
2919
+ "O C(F)(F)",
2920
+ "(N) (=O)",
2921
+ "CCC (CC)",
2922
+ "c1 c[nH]",
2923
+ "c o",
2924
+ "CC (C(=O)",
2925
+ "C O)",
2926
+ "n o",
2927
+ "CCN (CC",
2928
+ "s 2)cc1",
2929
+ "O CCCC",
2930
+ "C(=O) OC",
2931
+ "c2 n1",
2932
+ "C2 )cc1",
2933
+ "F) c1",
2934
+ "nc1 2",
2935
+ "Br )cc",
2936
+ "N C1",
2937
+ "CCN C(N",
2938
+ "3) CC1",
2939
+ "c2) n1",
2940
+ "c2 [nH]",
2941
+ "C= C(",
2942
+ "3CCO CC3)",
2943
+ "= C(O)",
2944
+ "n cc2",
2945
+ "C #N)",
2946
+ "c1cc ncc1",
2947
+ "c( Br)c1",
2948
+ "CCCC CC1",
2949
+ ")cc2 1",
2950
+ "- 2",
2951
+ "C 2)c1",
2952
+ "Cc1 cs",
2953
+ "N 3",
2954
+ "O= [N+]",
2955
+ "Br )ccc1",
2956
+ "c2 =O)",
2957
+ "C c1ccc2",
2958
+ "C c2ccc",
2959
+ "NC(=O) CO",
2960
+ "C1 CCCC1",
2961
+ "3) c1",
2962
+ "c(F) c(F)",
2963
+ "C[NH+] (C",
2964
+ "C) c1",
2965
+ "c1cc (C)",
2966
+ "C #N",
2967
+ "NC( =S)N",
2968
+ "F)cc1 )",
2969
+ "n nc1",
2970
+ "CC(C) O",
2971
+ "c5 ccc",
2972
+ "O) c1",
2973
+ ")cc 2)c1",
2974
+ "S (N)(=O)",
2975
+ "CC2) CC1",
2976
+ "C 5",
2977
+ "CC #",
2978
+ "4) CC3)",
2979
+ "O [Si](C)",
2980
+ "CCCC (C",
2981
+ "CCN 2",
2982
+ "CC1 2",
2983
+ "c1c( F)cc",
2984
+ "n n2",
2985
+ "CO c1ccc2",
2986
+ "CC( N",
2987
+ "c2n c(C",
2988
+ "O=C(N C1",
2989
+ "C= C(C)",
2990
+ "cc( N",
2991
+ "n (CC",
2992
+ "3 CC3)",
2993
+ "n 2)CC1",
2994
+ "o c(C",
2995
+ "n c3)",
2996
+ "c4 c(",
2997
+ "CC1 CCC",
2998
+ "(Cl)cc 3",
2999
+ "Cl )cc1",
3000
+ "c2cc( Br)",
3001
+ "O C(F)",
3002
+ "c2cc ncc",
3003
+ "n [nH]",
3004
+ "O CC2",
3005
+ "(Cl)cc 3)",
3006
+ "Cc1n c(",
3007
+ "CN 2",
3008
+ "nc( N)",
3009
+ "C2 =O)cc1",
3010
+ "nc2 c1",
3011
+ "CCCC (=O)",
3012
+ "(F) F)",
3013
+ "C c2ccccc",
3014
+ "(C) CC1",
3015
+ "c3 s",
3016
+ "NC(=O) N2",
3017
+ "CCCC 1)",
3018
+ "O P(=O)",
3019
+ "N c1ccc(",
3020
+ "C(N) =O",
3021
+ ")cc 2)CC1",
3022
+ "6 )",
3023
+ "CC2) n1",
3024
+ "n cn1",
3025
+ "CCC S",
3026
+ "O CC(=O)",
3027
+ "2)C1 =O",
3028
+ "CC2 )ccc1",
3029
+ ")cc 4",
3030
+ ")cc cc1",
3031
+ "C(=O)N (C",
3032
+ "s c2c1",
3033
+ "C(=O) C1",
3034
+ "o 3)",
3035
+ "c1cc (Cl)",
3036
+ "OC) c(OC)",
3037
+ "Cc1ccc( N",
3038
+ "c3ccc( OC",
3039
+ "c2cc 1",
3040
+ "CC1 =",
3041
+ "C( CC)",
3042
+ "CC =C",
3043
+ "c2c( F)cc",
3044
+ "C( OC",
3045
+ "c1) OCO",
3046
+ "c3 ncc",
3047
+ "N (CC",
3048
+ "c1n c(N",
3049
+ "c(=O) n2",
3050
+ "c3ccc( N",
3051
+ "c 8",
3052
+ "c3 C)",
3053
+ "CC1 (C",
3054
+ "CC1 C",
3055
+ "c1) C(=O)",
3056
+ "cc 4",
3057
+ "CN (CC",
3058
+ "ccc2 c1",
3059
+ "ccccc 4",
3060
+ "c4ccc 5",
3061
+ "C(=O)N C1",
3062
+ "(C)C 3",
3063
+ "CC( =",
3064
+ "CC (F)(F)",
3065
+ "cc( Br)",
3066
+ "(C(=O) C2",
3067
+ "CC[NH+] 2",
3068
+ "CC( O",
3069
+ "C(C) O",
3070
+ "3) C1",
3071
+ "CCC (CC",
3072
+ "[O-]) CC1",
3073
+ "CCC= CCC=",
3074
+ "[NH3+] C1",
3075
+ "c(=O) n1",
3076
+ "cn 2",
3077
+ "[NH+] 3",
3078
+ "[NH2+] 1",
3079
+ "CCC 2)",
3080
+ "( OC)",
3081
+ "cc nc1",
3082
+ "c5 ccc(",
3083
+ "CC2) C1",
3084
+ "NC(=O) N1",
3085
+ "c1 N",
3086
+ "(C(C) =O)",
3087
+ "CCC( N",
3088
+ "c3 c2",
3089
+ "CC l)",
3090
+ "C (Cl)",
3091
+ "c2ccc s2)",
3092
+ "Cc1 c(",
3093
+ "CC(C) C1",
3094
+ "3CCCC 3",
3095
+ "C(N) =O)",
3096
+ "[O-] )cc2",
3097
+ "n c4",
3098
+ "( c3ccccc",
3099
+ "[NH2+] C)",
3100
+ "(C)C) C1",
3101
+ "n1 cn",
3102
+ "O 2",
3103
+ "c3 nn",
3104
+ "OC(C) (C)",
3105
+ "c1n c(C",
3106
+ "c3cccc 4",
3107
+ "c2ccc nc2",
3108
+ ") c1ccc(",
3109
+ "CC1 (C)C",
3110
+ "c3cc 4",
3111
+ "n c1)",
3112
+ "CO c1cccc",
3113
+ "N C2",
3114
+ "Cc1 s",
3115
+ "CCCC 3",
3116
+ "CC(=O)N 2",
3117
+ "=N NC(=O)",
3118
+ "= C(C)",
3119
+ "[NH+] (C)",
3120
+ "CC(CC (C",
3121
+ "= C(C",
3122
+ "# C",
3123
+ "F) CC1",
3124
+ "=C (C(=O)",
3125
+ "C(=O) C(",
3126
+ "s c2",
3127
+ "c1ccc o1",
3128
+ "[nH] c1",
3129
+ "(=O) C1",
3130
+ "[NH2+] C(",
3131
+ "c2cc3 c(",
3132
+ "=C( [O-])",
3133
+ "c3cc (Cl)",
3134
+ "c1cccc n1",
3135
+ "o c1",
3136
+ "( NC(=O)",
3137
+ "CC(C) (O)",
3138
+ "c1ncc cc1",
3139
+ "OCC (C",
3140
+ "CCO 1",
3141
+ "3 C)",
3142
+ "Cl) c1",
3143
+ "CCC (C)C",
3144
+ "S c1n",
3145
+ "ccccc 7",
3146
+ "cccc c12",
3147
+ "#N )cc1",
3148
+ "O c2ccc(",
3149
+ "CC OC2",
3150
+ "c3 nc(",
3151
+ "C(=O) C2",
3152
+ "Cc1n o",
3153
+ "c5 )",
3154
+ "n2 ccc",
3155
+ "Cc1 [nH]",
3156
+ "3)n 2)cc1",
3157
+ "(Cl) c2",
3158
+ "C1 C",
3159
+ "CC(C O)",
3160
+ "O CC(O)",
3161
+ "= C(C#N)",
3162
+ "CCCO 1",
3163
+ ")cc 4)",
3164
+ "n1 2",
3165
+ "[nH] c2c1",
3166
+ "cc cc1",
3167
+ "CCC N1",
3168
+ "c1 c(C",
3169
+ "Cc1n n(C)",
3170
+ "c3cc (C)",
3171
+ "N C",
3172
+ "2) nc1",
3173
+ "C3 =O)",
3174
+ "OC (C)C)",
3175
+ "CCO CC1)",
3176
+ "OC (C)C",
3177
+ "(Cl) c2)",
3178
+ "4 CCCC",
3179
+ "c2 c[nH]",
3180
+ "C= CC(=O)",
3181
+ "O C(=O)N1",
3182
+ "C1 CCN",
3183
+ "S )",
3184
+ "c2n c(N",
3185
+ "[NH2+] CC",
3186
+ "C= N",
3187
+ "c %1",
3188
+ "CCN (C)",
3189
+ "=[NH2+] )",
3190
+ "c(C) n1",
3191
+ "C( =[NH+]",
3192
+ "n [nH]1",
3193
+ "(Cl)cc1 )",
3194
+ "= CC=",
3195
+ "c2) OCO",
3196
+ "cc2 1",
3197
+ "c1cc( Br)",
3198
+ "F)cc1 F",
3199
+ "c1cc (F)",
3200
+ "CCCC )",
3201
+ "(F) c2)",
3202
+ "CCC( O",
3203
+ "C(=O) O",
3204
+ ")N (C",
3205
+ "(C(=O) C",
3206
+ "=C2 S",
3207
+ "= C)",
3208
+ "NC(=O) CC",
3209
+ "NC(=O) C3",
3210
+ "c(Cl) c2)",
3211
+ "s 2)c1",
3212
+ "C= CC=",
3213
+ "CCN S(=O)",
3214
+ "CC( N)=O)",
3215
+ "c(Cl) c3)",
3216
+ "OC)c1 OC",
3217
+ "(C) (C)",
3218
+ "OCCO 2",
3219
+ "F C(F)(F)",
3220
+ "c4 cc(",
3221
+ "3CCCC 3)",
3222
+ "Cl) CC1",
3223
+ "ccccc2 c1",
3224
+ "ccc (C",
3225
+ "cn 2)",
3226
+ "CO CCO",
3227
+ "CC1 (O)",
3228
+ "nc(N 2",
3229
+ "[nH] 1)",
3230
+ "CC(C) C(",
3231
+ "o 2)c1",
3232
+ "F) C1",
3233
+ "c7 ccccc7",
3234
+ "cc (C)",
3235
+ "F)cc (",
3236
+ "c3 c(C)",
3237
+ "[nH] 2)",
3238
+ "(Cl) c3)",
3239
+ "c2ccc o2)",
3240
+ "S C1",
3241
+ "n2 c(",
3242
+ "C2 =O",
3243
+ "nn 3",
3244
+ "o n1",
3245
+ "[nH] c2",
3246
+ "CC 5",
3247
+ "4) c3)",
3248
+ "C) CC1",
3249
+ "C2 CCCC",
3250
+ "c3ccc( Br",
3251
+ "=C2 C(=O)",
3252
+ "3CCCCC 3)",
3253
+ "c2ccc( O",
3254
+ "2 )ccc1",
3255
+ "(C(=O)N 3",
3256
+ "c3cc ncc",
3257
+ "CC1 CCCC",
3258
+ "n2 c(=O)",
3259
+ "N) c1",
3260
+ ")N C1",
3261
+ "CN S(=O)",
3262
+ "C2 CC2)",
3263
+ "Cn1 cn",
3264
+ "CC(C) (C",
3265
+ "C c1cccc2",
3266
+ "(C)C) CC1",
3267
+ "cc cc(",
3268
+ "cn c1",
3269
+ "[ C",
3270
+ "4 CCO",
3271
+ "n c2cccc",
3272
+ "[nH] c1=O",
3273
+ "CC c1cc",
3274
+ "C= C(C",
3275
+ "c1) C1",
3276
+ "F)cc (C",
3277
+ "CC c1",
3278
+ "c(C) c(C)",
3279
+ "C 2)n1",
3280
+ "CCC S(=O)",
3281
+ "OC) c(",
3282
+ "N =C(",
3283
+ "(C) (C)C)",
3284
+ "(C) O",
3285
+ "= CC(=O)N",
3286
+ "CCC1 2",
3287
+ "c1cccc( N",
3288
+ "Cc1n c(C",
3289
+ "= C3",
3290
+ "4) c3",
3291
+ "c2cc( N",
3292
+ "C3 CC3)",
3293
+ "NC( =S)",
3294
+ "C= CC1",
3295
+ "CCC O)",
3296
+ "CCCC CC",
3297
+ "Cc1cc( N",
3298
+ "c2cc s",
3299
+ "CC(C) CC(",
3300
+ "S C)",
3301
+ "C(C) =O)",
3302
+ "= [N+]",
3303
+ "[NH+] (C",
3304
+ "CO CC1",
3305
+ "3) c2",
3306
+ "c2 c(C)cc",
3307
+ "s 2)CC1",
3308
+ "CC l",
3309
+ "CCC2 (",
3310
+ ") (",
3311
+ "c2n n",
3312
+ "C c2ccc(",
3313
+ "=C(N) N)",
3314
+ "2) C(=O)",
3315
+ "c1cc(C 2",
3316
+ "(C(=O) OC",
3317
+ "cc1 Cl",
3318
+ "CO c1",
3319
+ "C 4)",
3320
+ "CCC 3)",
3321
+ ")cc n1",
3322
+ "c3cccc (C",
3323
+ "CC(=O)N (",
3324
+ "c1ccc( OC",
3325
+ "CCC c1n",
3326
+ "c3ccc s3)",
3327
+ "CC( N)",
3328
+ "cc n1",
3329
+ "Br )cc(",
3330
+ "[O-]) c(",
3331
+ "c2 o",
3332
+ "C( OC(=O)",
3333
+ ") NC(=O)",
3334
+ "2)cc1 OC",
3335
+ "C= CCO",
3336
+ ")ccc1 OC",
3337
+ "c2ncc cc2",
3338
+ "2) s1",
3339
+ "O=S(=O) (",
3340
+ "c2ccc(N 3",
3341
+ "4 )cc3",
3342
+ "[nH] c3",
3343
+ "(C)C) n1",
3344
+ "CS c1n",
3345
+ "C2 CCC",
3346
+ "C= CC",
3347
+ "c3n cn",
3348
+ "C 2)CC1",
3349
+ "C2 O)",
3350
+ "c3ccc (C)",
3351
+ "c(=O) o",
3352
+ "O=C(C 1",
3353
+ "[nH+] 1",
3354
+ ")cc2 c1",
3355
+ "C( OC)",
3356
+ "c (Cl)cc1",
3357
+ "[n -]",
3358
+ "C 2)C1",
3359
+ "N N",
3360
+ "(C(=O) O",
3361
+ "c1ccc s1)",
3362
+ "[ P",
3363
+ "c1ccc o1)",
3364
+ "O CCCO",
3365
+ "(F) c3)",
3366
+ "Cc1 o",
3367
+ "CC(C) n1",
3368
+ "C= CCn1",
3369
+ "cc1 C",
3370
+ "c4 n",
3371
+ "CC1 CC1",
3372
+ "c2n nc(C",
3373
+ "c(N) c1",
3374
+ "CCCC CCC",
3375
+ ")N1 CCN(",
3376
+ "c(N 3",
3377
+ "c(O) c1",
3378
+ "c3cc (F)",
3379
+ "(C) CC",
3380
+ "C) C1",
3381
+ "2)cc1 )",
3382
+ ")cc (C",
3383
+ "C3 CCCCC",
3384
+ "c3ccc (F)",
3385
+ "c(=O) c1",
3386
+ "c1)OCO 2",
3387
+ "c4 cn",
3388
+ "c2ccc( O)",
3389
+ "n 2)C1",
3390
+ "cc (Cl)",
3391
+ "c(F) c2)",
3392
+ "C1 (",
3393
+ "O S(=O)",
3394
+ "NC(C) =O)",
3395
+ "C( CC(=O)",
3396
+ "Cn1 cc(",
3397
+ "(C)cc 2)",
3398
+ "S1 (=O)",
3399
+ "c2ccc (CC",
3400
+ "(CC) CC",
3401
+ "2)c1 C",
3402
+ "c1n cc(",
3403
+ "(C)cc 3)",
3404
+ "CC(=O) O",
3405
+ "(F) c2",
3406
+ "4) ccc3",
3407
+ "ccc 5",
3408
+ "c1ccc(C N",
3409
+ "c(=O) c2",
3410
+ "c1cn cc(",
3411
+ "c2n c(C)",
3412
+ "[P +]",
3413
+ "c3 [nH]",
3414
+ "[n+] 1",
3415
+ "CCO c1ccc",
3416
+ "C [NH3+]",
3417
+ "4 CCCCC",
3418
+ "4 )cc3)",
3419
+ "C(=O)N C",
3420
+ "n cc(",
3421
+ "3) C1)",
3422
+ "CC (F)",
3423
+ "C(C) C1",
3424
+ "N c1cc",
3425
+ "[O-]) c2)",
3426
+ "C1 =O)",
3427
+ "(C) C(",
3428
+ "O 2)",
3429
+ "=N N",
3430
+ "CCCC 3)",
3431
+ "c2 c(C",
3432
+ "c2n ccc",
3433
+ "nc(C 2",
3434
+ "C1 (C",
3435
+ "c(N C",
3436
+ "nc2 n1",
3437
+ "c2s ccc2",
3438
+ "n 5",
3439
+ "= [N-]",
3440
+ "[S -]",
3441
+ "CC OC(C",
3442
+ "CO P(=O)",
3443
+ "c1ccc( n2",
3444
+ "( Br)",
3445
+ "c3cc (C",
3446
+ "c1 o",
3447
+ "=[NH+] O)",
3448
+ "CC1 CCN",
3449
+ "CC2 CCC1",
3450
+ ")ccc1 Cl",
3451
+ "C(=O)N C2",
3452
+ "I) c1",
3453
+ "c3ccc o3)",
3454
+ "nn n1",
3455
+ "CCC(C O)",
3456
+ "n2 c1",
3457
+ "nc2 1",
3458
+ "n3 cn",
3459
+ "cn n1",
3460
+ "n(C 2",
3461
+ "c4ccc (C",
3462
+ ") S(=O)",
3463
+ "cc1 2",
3464
+ "N c1cc(",
3465
+ "I )cc1",
3466
+ "nc1 C",
3467
+ "NC( N)",
3468
+ "cn c2",
3469
+ "(CC C(=O)",
3470
+ "n 4)",
3471
+ "c2cc( OC)",
3472
+ "2) cn1",
3473
+ "CC c1cccc",
3474
+ "Cn1 c(=O)",
3475
+ ")cc 2)n1",
3476
+ "C1 C2",
3477
+ "(CC) CC)",
3478
+ "(CC (C)C)",
3479
+ "C1 CCN(",
3480
+ "C( =N",
3481
+ "P (",
3482
+ "O=C(C O",
3483
+ "(F) c1)",
3484
+ "c2n cc(",
3485
+ "C= C(C)C",
3486
+ "NC(=O) CN",
3487
+ "CC c1cn",
3488
+ "n 2)n1",
3489
+ "c( [O-])",
3490
+ "CC1 O",
3491
+ "(C)cc (C)",
3492
+ "C(=O) OCC",
3493
+ "(C)cc c1",
3494
+ "Cc1 c(C",
3495
+ "S C2",
3496
+ ")ccc1 F",
3497
+ "cn 2)cc1",
3498
+ "c1n c2c(",
3499
+ "CO c1cc2",
3500
+ "CC2 1",
3501
+ "CC c1ccc",
3502
+ "C(F) F",
3503
+ "CC1 CN(",
3504
+ "c2n nn",
3505
+ "(Cl) c1)",
3506
+ "c4cc cc(",
3507
+ "CCO C(",
3508
+ "c(F)c1 F",
3509
+ "Cl) C1",
3510
+ "c2 C)cc1",
3511
+ "(Cl) c(",
3512
+ "CCCC (O)",
3513
+ "OC 4",
3514
+ "c1cs c(",
3515
+ "CC 5)",
3516
+ "4CCO CC4)",
3517
+ "CC (Cl)",
3518
+ "C(O) C1",
3519
+ "3 )cc2",
3520
+ "CCCC n1",
3521
+ "C(C S",
3522
+ "OC) C1",
3523
+ "OC(C) =O",
3524
+ "CC =C(",
3525
+ "NC(=O) OC",
3526
+ "CC[NH+] (",
3527
+ "c4ccccc 3",
3528
+ "3 CC4",
3529
+ "C= O",
3530
+ "C1= C(C)",
3531
+ "F)cc 2)c1",
3532
+ "CC [NH3+]",
3533
+ "CC c1cc(",
3534
+ "c 9",
3535
+ "O)cc 2)",
3536
+ ")cc 2)C1",
3537
+ "c1cc sc1",
3538
+ "ncc c1",
3539
+ "O [Si]",
3540
+ "c1n c(C)",
3541
+ "=[NH+] C",
3542
+ "c2ccc(C 3",
3543
+ "CCCC 2)c1",
3544
+ "c1 )N",
3545
+ "CCCC N",
3546
+ "(=O) C",
3547
+ "n c(Cl)",
3548
+ "- 3",
3549
+ "c1 c(C)cc",
3550
+ "Cc1cc2 c(",
3551
+ "C( OC2",
3552
+ "c4ccc5 c(",
3553
+ "2) c(C)c1",
3554
+ "[O-] )cc(",
3555
+ "C( CCCC",
3556
+ "CC1 CC1)",
3557
+ "cc (C(=O)",
3558
+ "cc2 c1",
3559
+ "CC1 CO",
3560
+ "CC2)c1 C",
3561
+ "N )cc1",
3562
+ ")ccc1 O",
3563
+ "C) n1",
3564
+ "O=C(C S",
3565
+ "(C) O)",
3566
+ "(Cl) c(C",
3567
+ "c1 c(N",
3568
+ "3) c2)",
3569
+ "C1 CCCC",
3570
+ "( OCC)",
3571
+ "CC1 CCN(",
3572
+ "c( =S)",
3573
+ "c(C 3",
3574
+ "c2n oc(C",
3575
+ "F)cc 4)",
3576
+ "C(C (C)C)",
3577
+ "(CCC )",
3578
+ "OC )cc(",
3579
+ "O)cc1 )",
3580
+ "cn1 )",
3581
+ "c2n [nH]",
3582
+ "(C) CCC",
3583
+ "1 )N",
3584
+ "c(Cl) c1)",
3585
+ "[O-]) n1",
3586
+ "C(C) =O",
3587
+ "c(=O) n(",
3588
+ "O=C(C n1",
3589
+ "OC )cc",
3590
+ "2) o1",
3591
+ "cc2 Cl)",
3592
+ "c3ccc nc3",
3593
+ "C( CC",
3594
+ "c(F) c3)",
3595
+ "CC c2c(",
3596
+ "CC(C) =",
3597
+ "c2n c3c(",
3598
+ "n3 cc",
3599
+ "cn 3",
3600
+ "O c2ccc",
3601
+ "o 2)CC1",
3602
+ "2) c(",
3603
+ "c(S C",
3604
+ "3) CC2",
3605
+ "C 6",
3606
+ "=O) C1",
3607
+ "ccc3 C)",
3608
+ "Cc1n n(",
3609
+ "nc( S",
3610
+ "O= c1",
3611
+ "=O) N",
3612
+ "s c3",
3613
+ "CCCO C1",
3614
+ "nn1 C",
3615
+ "CCC(C) C(",
3616
+ "n(C) c1",
3617
+ "O=C1 N",
3618
+ "c1ccc( S",
3619
+ "ncn c1",
3620
+ "2) N1",
3621
+ "F) n1",
3622
+ "CC= CC=",
3623
+ "c[nH] 1)",
3624
+ "CCC3 (CC",
3625
+ "(N) =S)",
3626
+ "[NH3+] )N",
3627
+ "e ]",
3628
+ "(=O) [nH]",
3629
+ "c1n n",
3630
+ "ncc 3",
3631
+ "(C c2ccc",
3632
+ "OCC 3",
3633
+ "s c(",
3634
+ "CCC1 )",
3635
+ "7 )",
3636
+ "cccc 3",
3637
+ "c5ccc 6",
3638
+ "CCC N2",
3639
+ "3) ccc2",
3640
+ "c2 =O)cc1",
3641
+ "C= CC(",
3642
+ "(C)C (C",
3643
+ "n2 cc(",
3644
+ "2) C2",
3645
+ "n2 nn",
3646
+ "C= CCN",
3647
+ ")N1 CCC(",
3648
+ "ccc n1",
3649
+ "CC1 CC(",
3650
+ "3CCCCC 3",
3651
+ "C [Si](C)",
3652
+ "Cn1 cc(C",
3653
+ "n2 n",
3654
+ "nn c2",
3655
+ "3)C2 )cc1",
3656
+ "nc1 N",
3657
+ "CC1 CCC(",
3658
+ "(C(=O)N 1",
3659
+ "B (O)",
3660
+ "CO C(=O)N",
3661
+ "CC3 )cc2",
3662
+ "N =N",
3663
+ "c5 cccc",
3664
+ "c1cc( N2",
3665
+ "ccccc 5",
3666
+ "(CC (O)",
3667
+ "4) C3",
3668
+ "cn 2)CC1",
3669
+ "3 CCC",
3670
+ "CO C(",
3671
+ "c1c( N)",
3672
+ "H ]",
3673
+ "(=O) o",
3674
+ "c2cn cc",
3675
+ "c -2",
3676
+ "C [NH3+])",
3677
+ "ccccc 8",
3678
+ "3) C2)",
3679
+ "CCC2 C3",
3680
+ "(=O) [O-]",
3681
+ "F)cc1 Cl",
3682
+ "CCCCC O",
3683
+ ")cc 5",
3684
+ "CC1 CCCC1",
3685
+ "CO CCC",
3686
+ "3 C(=O)",
3687
+ "N c1ccc",
3688
+ "OCO 4)",
3689
+ "CCC l)",
3690
+ "C(C c1cn",
3691
+ "c3ccc s",
3692
+ "c2s c(",
3693
+ "(CC (C)",
3694
+ "CCO CC2",
3695
+ "O= c1[nH]",
3696
+ "O c2ccccc",
3697
+ "CCCN (C",
3698
+ "c1ccc(C (",
3699
+ "C(F) F)",
3700
+ "c1) OCCO2",
3701
+ "c(Cl)cc 2",
3702
+ "s c1C",
3703
+ ")cc1 2",
3704
+ "c6 ccc",
3705
+ "c2cs c(",
3706
+ "c2cc( N)",
3707
+ "c4 c3",
3708
+ "c3 cs",
3709
+ "(CC l)",
3710
+ "c(C) cc1",
3711
+ "N# C",
3712
+ "C(O) C1O",
3713
+ "c2cn n(C)",
3714
+ "c2) OCCO",
3715
+ "c2)OCO 3)",
3716
+ "C(C 2",
3717
+ "F)cc 4",
3718
+ "4 CC4)",
3719
+ "c5 cc",
3720
+ "c3c( c2",
3721
+ "Cn1 cc",
3722
+ "CC2 CCCO",
3723
+ "C(C)C) c1",
3724
+ "[C -]",
3725
+ "Cc1 c(C)",
3726
+ "(=O) c1cc",
3727
+ "c1ccc( O)",
3728
+ "c2cc o",
3729
+ "[O-]) c2",
3730
+ ")cc1 )",
3731
+ "CC1 CCC(C",
3732
+ "c(C) c3)",
3733
+ "cc 5",
3734
+ "(C) c2",
3735
+ "ccc2 n1",
3736
+ "OC(F) F",
3737
+ "CCCC (C)C",
3738
+ "C OC(C",
3739
+ "[O-]) c3)",
3740
+ "[N+] 1",
3741
+ "n2 C",
3742
+ "Cc1cc( N2",
3743
+ "C NC(=O)N",
3744
+ "C(C)C 2",
3745
+ "CCCO 1)",
3746
+ "Cc1ccc( O",
3747
+ "CC(C) c1n",
3748
+ "n(C) n1",
3749
+ "CO CCn1",
3750
+ "C(C) CC",
3751
+ "Br )cc2",
3752
+ "Cl )N",
3753
+ "c1s ccc1",
3754
+ "(C)cc 3",
3755
+ "CC( =N",
3756
+ "C2 CCCCC",
3757
+ "c4cccc 5",
3758
+ "C) C(=O)",
3759
+ "S C(=C",
3760
+ "(C 3",
3761
+ "c(=O) n3",
3762
+ "CC(C #N)",
3763
+ "c(F) c2",
3764
+ "C1 CCC(",
3765
+ "(C) CC2",
3766
+ "C= C2",
3767
+ "2) N",
3768
+ "cc1 Cl)",
3769
+ "c1cn c(",
3770
+ "c1C #N",
3771
+ "N1 CCCC1",
3772
+ "=O) CC1",
3773
+ "CC(C) (",
3774
+ "CCCCC =",
3775
+ "2)cc1 C",
3776
+ "( c2ccc(",
3777
+ "(CCCC )",
3778
+ "C(C 1",
3779
+ "4) C2)",
3780
+ "c1 c(Cl)",
3781
+ "c(C (C)C)",
3782
+ "n2 C)",
3783
+ "CC c2ccc(",
3784
+ "CO CCN",
3785
+ "OC c1ccc(",
3786
+ "c(=O) n(C",
3787
+ "N (C)C",
3788
+ "3)C1) C2",
3789
+ "C( Br)",
3790
+ "c1n c(N)",
3791
+ "Br) c2)",
3792
+ "c(C) c(",
3793
+ "ccc2 Cl)",
3794
+ "nc2 s",
3795
+ "[nH] 3)",
3796
+ "CS CCC(",
3797
+ "c8 ccccc8",
3798
+ "CCC (C)C)",
3799
+ "CCCCC )",
3800
+ "(C) c(",
3801
+ "CO 1",
3802
+ "= NC(=O)",
3803
+ "OC) C(=O)",
3804
+ "CCCC CC)",
3805
+ "O) C(O)",
3806
+ "c2c( c1)",
3807
+ "n2 nc(",
3808
+ "c( F)cc2",
3809
+ "C2 CC3",
3810
+ "3)n 2)",
3811
+ "# [N+]",
3812
+ "c(C)c1 C",
3813
+ "Cc1cc sc1",
3814
+ "O 1)",
3815
+ "C2 CCCCC2",
3816
+ "s 2)C1",
3817
+ "F)cc cc3",
3818
+ "c(=O) n",
3819
+ "C1 CC",
3820
+ "[NH3+] C(",
3821
+ "C2 =O)c1",
3822
+ "(Cl) s1",
3823
+ "[n+] 2",
3824
+ "[O-] )cc3",
3825
+ "CC( S",
3826
+ "Cc1ccc o1",
3827
+ ")N1 CCCC1",
3828
+ "cc2 C)",
3829
+ "C(C) O)",
3830
+ "C1 (C)",
3831
+ "(C NC(=O)",
3832
+ "C1 CC1)",
3833
+ "O 3)",
3834
+ "CO c1c(",
3835
+ "Cc1n c(N",
3836
+ "( c2ccc",
3837
+ "N1 CCN",
3838
+ "(CC [NH+]",
3839
+ "(C) (C)C",
3840
+ "c1n c(Cl)",
3841
+ "c2cc (O)",
3842
+ "cs 2)cc1",
3843
+ "c2n oc(",
3844
+ "c1cc( O)",
3845
+ "nc2 )cc1",
3846
+ "ccccc2 3)",
3847
+ "2)CC1 )",
3848
+ "N1 CCN(",
3849
+ "(=O)N C",
3850
+ "O=C(C =C",
3851
+ "OC) c(C",
3852
+ "OC(F) F)",
3853
+ "n c4)",
3854
+ "c1cn n(",
3855
+ "(C) cc1",
3856
+ "S 2",
3857
+ "c1n c(C2",
3858
+ "c(C) c2)",
3859
+ "C1 =C(",
3860
+ "C OC(C)",
3861
+ "c3ccc( O",
3862
+ "CCC(C 2",
3863
+ ")ccc1 2",
3864
+ "ncn 2",
3865
+ "c1cn cc",
3866
+ "c3) OCO4)",
3867
+ "N2 CCN",
3868
+ "CC1 CC",
3869
+ "CC(C) N",
3870
+ "s 2)n1",
3871
+ "(=O)N (C)",
3872
+ "Nc1n cn",
3873
+ "c2cn 3",
3874
+ "(Cl) c3",
3875
+ "CCC1 CCCC",
3876
+ "CC( =C",
3877
+ "O c1ccc(C",
3878
+ "CC(O) C1",
3879
+ "= CN",
3880
+ "(=O)N C2",
3881
+ "[O-]) C(",
3882
+ "CCC OC",
3883
+ "(C)C) C2",
3884
+ "2)cc1 Cl",
3885
+ ")N c1ccc(",
3886
+ "c1n [nH]",
3887
+ ")ccc1 N",
3888
+ "cc( S(=O)",
3889
+ "CCO CC",
3890
+ "cn 2)c1",
3891
+ "c4cc 5",
3892
+ "3CCO CC3",
3893
+ "(C) =O)",
3894
+ "n nc(",
3895
+ "c2c( c1",
3896
+ "CN2 C(=O)",
3897
+ "C1 CC2",
3898
+ "2) C(=O)N",
3899
+ "NC( N",
3900
+ "c1ncc s1",
3901
+ "c2 C1",
3902
+ "cccc c12)",
3903
+ "CCc1n c(",
3904
+ "nn nc1",
3905
+ "c2c1 C",
3906
+ "3)n 2)c1",
3907
+ "c5 c(",
3908
+ "=C(N) N",
3909
+ "2) C(",
3910
+ "cn 3)",
3911
+ "CCC #N)",
3912
+ "c1ccc( N)",
3913
+ "c1n cc(C",
3914
+ "c3ccc o",
3915
+ "C2 C3",
3916
+ "c2n o",
3917
+ "c2C) CC1",
3918
+ "c1n o",
3919
+ "c2 c(Cl)",
3920
+ "Br) C1",
3921
+ "= CC2",
3922
+ "(C) n1",
3923
+ "= CC",
3924
+ "CCn1 cn",
3925
+ "CCCCC (",
3926
+ "OCC1 OC(",
3927
+ "cs1 )",
3928
+ "[O-]) C2",
3929
+ "=C (Cl)",
3930
+ "= CC1",
3931
+ "o c(=O)",
3932
+ "O c1ccc",
3933
+ "C( =S)",
3934
+ "C= CCCC",
3935
+ "cc1 )",
3936
+ "c3 =O)",
3937
+ "[nH] 2)c1",
3938
+ "(C 1",
3939
+ "(C) c3)",
3940
+ "c(F) c1)",
3941
+ "C= CC(C",
3942
+ "ccc( N",
3943
+ "C(=O) OC1",
3944
+ "CC) c1",
3945
+ "C12 CC3",
3946
+ "CCC (C(C)",
3947
+ "Cc1n nc(",
3948
+ "[O-]) c1)",
3949
+ "O=C(N CC1",
3950
+ "CCS C1",
3951
+ "c2)cc1 OC",
3952
+ "s 4)",
3953
+ "c2cc nc(N",
3954
+ "C(=O) C3",
3955
+ "c6 )",
3956
+ "(C (N)=O)",
3957
+ "[NH3+]) C",
3958
+ "= N)",
3959
+ "(CC CCC",
3960
+ "3)C2 =O)",
3961
+ "2) n",
3962
+ "CC OC(C)",
3963
+ "C(N) =S",
3964
+ "ccc3 Cl)",
3965
+ "ccccc3 4)",
3966
+ "CCCC CCO",
3967
+ "CC(=O) OC",
3968
+ "Cn1 ccnc1",
3969
+ "3 CC[NH+]",
3970
+ "(=O) O",
3971
+ "C2 1",
3972
+ "O=C( CC",
3973
+ "CCCCC 3",
3974
+ "F)cc 2)n1",
3975
+ "c2cc ncc2",
3976
+ "C1 (C)C",
3977
+ "C(= C)",
3978
+ "c2 c(N",
3979
+ "n2 n1",
3980
+ "c1cn c(N",
3981
+ "OCC) c1",
3982
+ "c(C O",
3983
+ "c1cn 2",
3984
+ "CC1 CCCO1",
3985
+ "n c2)c1",
3986
+ "c1 [nH+]",
3987
+ "c( F)cc1",
3988
+ "CC(O) CO",
3989
+ "ccc2 F)",
3990
+ "c3cc4 c(",
3991
+ "CC OC3",
3992
+ "(C c2ccc(",
3993
+ "c(C O)",
3994
+ "c2n c(=O)",
3995
+ "cc1 F",
3996
+ "C(=O)N CC",
3997
+ "n2 nc(C)",
3998
+ ")ccc1 Br",
3999
+ "N1 CCC(",
4000
+ "c4) CC3)",
4001
+ "c2n c(N)",
4002
+ "CO CCN1",
4003
+ "F)ccc1 F",
4004
+ "=[N-] )",
4005
+ "C3 )cc1",
4006
+ "c1ccc(C O",
4007
+ "c(C) c2",
4008
+ "cc( O)",
4009
+ "Cl) n1",
4010
+ "3) c2)cc1",
4011
+ "n c5",
4012
+ "c2C) c1",
4013
+ "O=C( CC1",
4014
+ "C(C) S",
4015
+ "( CCO",
4016
+ "N C1=O",
4017
+ "c2n cc(C",
4018
+ "#N) c1",
4019
+ "C1 CCCN",
4020
+ "c2n (",
4021
+ "N1 CC",
4022
+ "C(O) =C(",
4023
+ "Cc1n n",
4024
+ "N c1",
4025
+ "S C(C)",
4026
+ "CCC1 (C",
4027
+ "OCO 2",
4028
+ "CCCC CC=",
4029
+ "CC# CC#",
4030
+ "c1cc( N)",
4031
+ "F)cc2 F)",
4032
+ "2 )cc(",
4033
+ "(C)C (C)C",
4034
+ "cs 2)",
4035
+ "c3cc( OC)",
4036
+ "CCC2 1",
4037
+ "c1 =O)",
4038
+ "(CC OC)",
4039
+ "c2 3)",
4040
+ "C(=O) OC)",
4041
+ "(C)C )cc2",
4042
+ "c2n c3",
4043
+ "O O",
4044
+ "c2nnn n2",
4045
+ "3 )cc2)",
4046
+ "= CCCC",
4047
+ "(Cl)c1 Cl",
4048
+ "N# Cc1",
4049
+ "c(C N",
4050
+ "c oc(",
4051
+ "(C(C) (C)",
4052
+ "OC c1ccc",
4053
+ "C= CC2",
4054
+ "%1 0",
4055
+ "O=C(N C",
4056
+ "NC(=O)N (",
4057
+ "c4 ncc",
4058
+ "=C( S",
4059
+ "CCO P(=O)",
4060
+ "Cc1cs c(",
4061
+ "CC(C) O1",
4062
+ ")cc (C)c1",
4063
+ "c1ccc( N(",
4064
+ "CS C1",
4065
+ "CC2) nc1",
4066
+ "c4 )cc3",
4067
+ "c1cc (=O)",
4068
+ "N= [N+]",
4069
+ "C( c1ccc(",
4070
+ ")cc 5)",
4071
+ "(C(=O) C3",
4072
+ "N1 CCOCC1",
4073
+ "C c2cccc",
4074
+ "CC2 (",
4075
+ "nn (C)",
4076
+ "n2 cc(C",
4077
+ "c1n n(",
4078
+ "CCC1 (CC)",
4079
+ "C( O",
4080
+ "n 3)n",
4081
+ "o 2)C1",
4082
+ "Cl) C(=O)",
4083
+ "n3 ccc",
4084
+ "(C) c2)",
4085
+ "c( Br)cc1",
4086
+ "n2 c(C)",
4087
+ "Br) s1",
4088
+ "CC(O) (C",
4089
+ "C1 CC(",
4090
+ "nc(C) n1",
4091
+ "c6 ccc(",
4092
+ "C(C) (C",
4093
+ "F)cc 2)C1",
4094
+ "F) C(=O)",
4095
+ ")N1 CC",
4096
+ "(Cl) (Cl)",
4097
+ "c1cccc( O",
4098
+ "=O) cc2",
4099
+ "CC )cc1",
4100
+ "4 C)",
4101
+ "CC2 (CC",
4102
+ "c1 co",
4103
+ "C1 CCC2",
4104
+ "c2c( N)",
4105
+ "c2ccs c2)",
4106
+ "(Cl)cc 4)",
4107
+ "C[NH2+] 1",
4108
+ "c[nH] 1",
4109
+ "CCC 5",
4110
+ "c(=O) c3",
4111
+ "c1cc( OC",
4112
+ "CCCC CCC1",
4113
+ "c4 c3)",
4114
+ "CCO 2",
4115
+ "[NH2+] 1)",
4116
+ "C[NH2+] C",
4117
+ "c1 c[nH+]",
4118
+ "Br)cc1 )",
4119
+ "CCCCC (C)",
4120
+ "ccc2 C)",
4121
+ "CCn1 c(",
4122
+ "(C(=O) CC",
4123
+ "CN( S(=O)",
4124
+ "c(F) c3",
4125
+ "CC2 CCC",
4126
+ "= CC(",
4127
+ "N2 CC",
4128
+ "=[NH+] O",
4129
+ "cc c12",
4130
+ "C2 C1",
4131
+ "Cc1n c(C)",
4132
+ "(C(=O) CS",
4133
+ "OC) n1",
4134
+ "2)c1 =O",
4135
+ "c%1 0",
4136
+ "CO CC(C)",
4137
+ "3) CC2)c1",
4138
+ "c(N C2",
4139
+ "c3ccc( O)",
4140
+ "NC(=O)N C",
4141
+ "- c2ccc(",
4142
+ "n2 nc(C",
4143
+ "c2cc (=O)",
4144
+ "CCC( N)",
4145
+ "CCn1 c(S",
4146
+ "ncn c3",
4147
+ "CCC l",
4148
+ "c1n nc(C",
4149
+ "( c4ccccc",
4150
+ "F c1ccc(",
4151
+ "c3cc( Br)",
4152
+ "= Cc1ccc(",
4153
+ "c2n c(Cl)",
4154
+ "CCS 1",
4155
+ "C OC2",
4156
+ "S CC(=O)",
4157
+ "c2 [nH+]",
4158
+ "C(C) (O)",
4159
+ "COc1cc( N",
4160
+ "n2cc nc2)",
4161
+ "(C)C) c(",
4162
+ "2)c1 )",
4163
+ "(F) c3",
4164
+ "(F)(F) F",
4165
+ "CCC 4)",
4166
+ "c(Cl) c2",
4167
+ "[nH] n1",
4168
+ "n2 c(C",
4169
+ "(C2 CC2)",
4170
+ "C= CCC1",
4171
+ "N= C1",
4172
+ "OC1 2",
4173
+ "C4 CCCCC",
4174
+ "(=O) C2",
4175
+ "CCCC 2)C1",
4176
+ "OC) CC1",
4177
+ "O=C(N CC",
4178
+ "nc2 c(",
4179
+ "S1(=O) =O",
4180
+ "N# CC1",
4181
+ "O c3ccc(",
4182
+ "C(=O) C(C",
4183
+ "C3 O)",
4184
+ "F)cc1 )N",
4185
+ "CC2 (O)",
4186
+ "c3cc 2",
4187
+ "cn n1C",
4188
+ "nn 2)cc1",
4189
+ "Cc1ccc s1",
4190
+ "2) no1",
4191
+ "CC2 C1",
4192
+ ") C2",
4193
+ "O CC[NH+]",
4194
+ "S C(",
4195
+ "3 CCN(",
4196
+ "CCCC 4)",
4197
+ "CCC(C #N)",
4198
+ "O CC(",
4199
+ "(C(=O) CO",
4200
+ "n(C) c1=O",
4201
+ "[S e]",
4202
+ "c4ccc( OC",
4203
+ "F)cc3 F)",
4204
+ "n (CC)",
4205
+ "[S-] )",
4206
+ "3) C(=O)",
4207
+ "N# Cc1cc(",
4208
+ "CCCN C(N)",
4209
+ "2) nn1",
4210
+ "c(Cl)cc (",
4211
+ "Cc1cc nc(",
4212
+ "C(C) N",
4213
+ "o c1C",
4214
+ "cc1 OC)",
4215
+ "4) CC3",
4216
+ "c3ncc cc3",
4217
+ "cn c3",
4218
+ "CCC1 (C)",
4219
+ "c1c( O)",
4220
+ "Cc1n n(C",
4221
+ "CCC(C 1)",
4222
+ "c3 c[nH]",
4223
+ "(Cl)cc 4",
4224
+ "CCO c1cc",
4225
+ "CC( Br)",
4226
+ "CN( CC1",
4227
+ "c4cc (F)",
4228
+ "Cc1 c(N",
4229
+ "Cc1cc (F)",
4230
+ "C(C) CC)",
4231
+ "c3 o",
4232
+ "c2 c[nH+]",
4233
+ "[O-]) N",
4234
+ "OC) c2)",
4235
+ "C2 CCC1",
4236
+ "3) nc2",
4237
+ "Cc1ccc( S",
4238
+ "=O) ccc1",
4239
+ ")cc cc2",
4240
+ "CCS CC1",
4241
+ "N (C)C)",
4242
+ "c3n ccc",
4243
+ ")cc3) C2",
4244
+ "OC)cc1 )",
4245
+ "3) n1",
4246
+ "CC1 =N",
4247
+ "CC(C 1",
4248
+ "n1 cc",
4249
+ "2 CCN(",
4250
+ "CC (CC)",
4251
+ "(N N)",
4252
+ "(C) CC2)",
4253
+ "F)cc1 F)",
4254
+ "Br)cc (C",
4255
+ "Cn1 c(",
4256
+ "2)cc1 F",
4257
+ "Cc1n c(C2",
4258
+ "c1cc nc(N",
4259
+ "OCC (C)C)",
4260
+ "(C)C )cc(",
4261
+ "cs c1",
4262
+ "3) c(",
4263
+ "S S",
4264
+ "c2 c3c(",
4265
+ "CCCC 2)n1",
4266
+ "C# CCO",
4267
+ "c1cc oc1",
4268
+ "C(O) C2",
4269
+ "4 CC[NH+]",
4270
+ "(C) CC3)",
4271
+ "CC1 CCCC(",
4272
+ "c1 [nH]c(",
4273
+ "(F)c1 F",
4274
+ ")N (",
4275
+ "c1n c(=O)",
4276
+ "c2c( O)",
4277
+ "c2n n(",
4278
+ "CCC(C) C1",
4279
+ "2 C(",
4280
+ "C 3)n",
4281
+ "cn n2",
4282
+ "2) C(C)",
4283
+ "CC4 )cc3",
4284
+ "n o2)",
4285
+ "C2 (",
4286
+ "[O-]) cn1",
4287
+ "=C (C)C",
4288
+ "n 6",
4289
+ "c1n oc(",
4290
+ "c2cn n(",
4291
+ ")N1 CCN",
4292
+ "N2 CCCC2",
4293
+ ")cc (=O)",
4294
+ "o 2)n1",
4295
+ "OC) c3)",
4296
+ "c5 cc(",
4297
+ "c1 O",
4298
+ "Cc1 c[nH]",
4299
+ "OCC (C)C",
4300
+ "2 CC[NH+]",
4301
+ "O= S1(=O)",
4302
+ "C(C) (",
4303
+ "[Si] (",
4304
+ "c2cc1 OC",
4305
+ "c(C) s1",
4306
+ "c[nH+] 1",
4307
+ ")cc 3)n",
4308
+ ") C",
4309
+ "c -3",
4310
+ "CC2 (C",
4311
+ ")ccc1 C",
4312
+ "N3 C(=O)",
4313
+ "N c1cn",
4314
+ "CC1 CN",
4315
+ "Br) c1)",
4316
+ "CC4 )cc3)",
4317
+ "OC) c2",
4318
+ "3 CCN",
4319
+ "C1 (O)",
4320
+ "nn (",
4321
+ "=O)cc 2)",
4322
+ "(C) CCO",
4323
+ "c4 nc(",
4324
+ "c(N S(=O)",
4325
+ "c2nn [n-]",
4326
+ "ccc 6",
4327
+ "c3n nc(",
4328
+ "c2cn c(N",
4329
+ "c o1",
4330
+ "4) C3)",
4331
+ "c(C [NH+]",
4332
+ "CCn1 cc",
4333
+ ")cc1 F",
4334
+ "c2n nc3",
4335
+ "OCC O)",
4336
+ "3) n2",
4337
+ "n2cc nc2",
4338
+ "c2cn (C)",
4339
+ "c1ncn 2",
4340
+ "C1 CCC1",
4341
+ "#N )cc2",
4342
+ "c2cc nn2",
4343
+ "N1 S(=O)",
4344
+ "[C H]",
4345
+ "C2 CC2)c1",
4346
+ "CCC12 C",
4347
+ "c6ccc 7",
4348
+ "n o1)",
4349
+ "C2 (C)",
4350
+ "Nc1n c(",
4351
+ "2 CC3",
4352
+ "c2 co",
4353
+ "c1cc s",
4354
+ "CC2) cn1",
4355
+ "c1cs c(C",
4356
+ "C(C) =",
4357
+ "CCCN (CCC",
4358
+ "c(N) n",
4359
+ "Cc1 c(Cl)",
4360
+ "o c2c1",
4361
+ "F)cc 3)n",
4362
+ "c1) C(",
4363
+ "CC1 CC2",
4364
+ "C2 CCN",
4365
+ "c(N) n1",
4366
+ ") C(C)C",
4367
+ "(CC =C)",
4368
+ "CO CC(",
4369
+ "C(O) C(",
4370
+ "c2ccc( I",
4371
+ "[O-]) c(N",
4372
+ "c1) CCC2",
4373
+ "c(OC) c3)",
4374
+ ") C(",
4375
+ "2) O1",
4376
+ "c2cn [nH]",
4377
+ "CCn1 cc(",
4378
+ "C= CCN1",
4379
+ "c1) OCCO",
4380
+ "C) CC3)",
4381
+ "CCC1 =O",
4382
+ "OCCO 4)",
4383
+ "CN c1n",
4384
+ "(CC 3",
4385
+ "s c(N",
4386
+ "2) cs1",
4387
+ "C1 (C(=O)",
4388
+ "CCC1 O",
4389
+ "(C)C )cc3",
4390
+ "c1cc nc(",
4391
+ "= N1",
4392
+ "Cn1 nccc1",
4393
+ "C1 =N",
4394
+ "O=C( OC",
4395
+ "c1c( Br)",
4396
+ "c4ccc( N",
4397
+ "c3ccc( n4",
4398
+ "c1s c(",
4399
+ "CO c1c(C)",
4400
+ "CS c1ccc(",
4401
+ "c1ccc2 n",
4402
+ "3)CC2) n1",
4403
+ "CC(O) C(",
4404
+ "c2ccc( N)",
4405
+ "c4cc ncc",
4406
+ "CCn1 cc(C",
4407
+ "C1 =C",
4408
+ "[O-]) s1",
4409
+ "(=O) CC1",
4410
+ "(CC N",
4411
+ "n3 C)",
4412
+ "c2cc n",
4413
+ "CC(C)C n1",
4414
+ "c1cc n",
4415
+ ")cc( N",
4416
+ "2 CCC",
4417
+ "ccc2 o1",
4418
+ "CO c1cn",
4419
+ "c(=O) c(",
4420
+ "Cc1n cc",
4421
+ "OC 5",
4422
+ "c4ccc o",
4423
+ "O c2ccc(C",
4424
+ "(=O)N CC",
4425
+ "CC3 CCC2",
4426
+ "CCO c1cc(",
4427
+ "Nc1n c(N",
4428
+ "o c2",
4429
+ "CC2) s1",
4430
+ "nn 2)",
4431
+ "[NH2+] C3",
4432
+ "cc2 c(",
4433
+ "Cn1 nc(",
4434
+ "cc2 F)",
4435
+ "n2cn c3",
4436
+ "CCCC N(",
4437
+ "c1)OCO 2)",
4438
+ "(C c2cccc",
4439
+ "C( c2ccc",
4440
+ "CC2)cc1 C",
4441
+ "c3ccc(C 4",
4442
+ "C2 CCCC2",
4443
+ "CC( OC)",
4444
+ "c(C =O)",
4445
+ "C(C#N) =C",
4446
+ "CC c1c(C)",
4447
+ "N c1cccc(",
4448
+ "- 4",
4449
+ "c2ccc( n3",
4450
+ "Br) c2",
4451
+ "CC1 CCCN",
4452
+ "c3cc s",
4453
+ "Br) CC1",
4454
+ ") [NH+]1",
4455
+ "[O-]) cn",
4456
+ "C#N )cc1",
4457
+ "c( I)",
4458
+ "F)cc2 1",
4459
+ "c(C#N) c1",
4460
+ "C[NH+] (",
4461
+ "[NH+]2 CC",
4462
+ "c3 )cc2",
4463
+ "c2cn c(",
4464
+ "cc (F)",
4465
+ "c2) cn1",
4466
+ "c(OC )cc2",
4467
+ "C2 (C)C",
4468
+ "N1 CCCCC1",
4469
+ "CC(C)C (C",
4470
+ "B (",
4471
+ "CC(=O)N C",
4472
+ "=S )N1",
4473
+ "cc cc2",
4474
+ "O) C1",
4475
+ "F)cc (F)",
4476
+ "c3 4)",
4477
+ "C= CCC",
4478
+ "(C) c(C",
4479
+ "N1 C",
4480
+ "c1ccc(N C",
4481
+ "(C(=O) C(",
4482
+ "Cc1cn 2",
4483
+ "c(C) cc2",
4484
+ "O) ccc1",
4485
+ "c(C) o1",
4486
+ ") c1ccc",
4487
+ "c1cn n2",
4488
+ "CC3 )cc2)",
4489
+ "C= C=",
4490
+ ")N (C)",
4491
+ "O P",
4492
+ "[NH+] (CC",
4493
+ "C1 CO",
4494
+ "C2 C",
4495
+ "CC #N)",
4496
+ "[O-]) c(C",
4497
+ "( =S)",
4498
+ "CCCC( N",
4499
+ "F C(F)",
4500
+ "Cc1n ccn1",
4501
+ "CC c2cc(",
4502
+ "3 c(",
4503
+ "ccc nc2",
4504
+ "CCC1 C",
4505
+ "S c2n",
4506
+ "C= C(C#N)",
4507
+ "CO c1n",
4508
+ "O) CC1",
4509
+ "[nH] c(C",
4510
+ ")N (C)C",
4511
+ "5) ccc4",
4512
+ "4)C2) C3)",
4513
+ ")cc1 Cl",
4514
+ "Br) c(",
4515
+ "(F) F",
4516
+ "cc1 F)",
4517
+ "4CCCCC 4)",
4518
+ "C =O)",
4519
+ "5 )cc4",
4520
+ "OC1 (C)C",
4521
+ "5) c4",
4522
+ "C c3ccccc",
4523
+ "CC c2ccc",
4524
+ "c1ccc(C #",
4525
+ ")cc1 C",
4526
+ "O=C( CCC"
4527
+ ]
4528
+ }
4529
+ }
tokenizer_config.json ADDED
@@ -0,0 +1,52 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ {
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+ "added_tokens_decoder": {
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+ "0": {
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+ "content": "<pad>",
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+ "normalized": false,
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+ "2": {
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+ "content": "<unk>",
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+ "normalized": false,
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+ "single_word": false,
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+ },
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+ "3": {
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+ "content": "<mask>",
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+ "lstrip": false,
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+ "normalized": false,
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+ "rstrip": false,
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+ "single_word": false,
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+ "special": true
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+ "2260": {
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+ "content": "</s>",
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+ "lstrip": false,
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+ "normalized": false,
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+ "rstrip": false,
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+ "single_word": false,
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+ "special": true
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+ }
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+ },
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+ "bos_token": "<s>",
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+ "clean_up_tokenization_spaces": true,
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+ "eos_token": "</s>",
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+ "mask_token": "<mask>",
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+ "model_max_length": 512,
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+ "pad_token": "<pad>",
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+ "tokenizer_class": "PreTrainedTokenizerFast",
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+ "unk_token": "<unk>"
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+ }