0 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 CS-0060857 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.435 CC(O)C1=CC2=C(C=CC=C2)S1 CS-0038997 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.435 CC(O)C1=CC2=C(C=CN=C2)S1 CS-0081020 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 FC(F)C1=CC2=CC=CN=C2N1 CS-0052236 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 CS-0052498 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 CS-0084794 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 CS-W023027 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)S1 CS-0088157 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 CS-0006616 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.435 O=C(O)C1=CC2=CN=CC=C2S1 CS-0082386 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.435 O=C(O)C1=CC2=CN=CN=C2S1 CS-0046689 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.435 O=C(O)C1=CC2=NC=CC=C2O1 CS-0106542 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.435 O=C(O)C1=NN2C=CC=CC2=N1 CS-0077661 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.435 O=C(O)C1=NN2C=CC=NC2=N1 CS-0081615 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.435 OB(O)C1=CC2=CN=CC=C2S1 CS-0081735 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.32 N#CC1=CC2=C(N=CC=C2)N1 CS-0052499 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.32 NCC1=CC2=CC=CN=C2N1 CS-0052503 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.32 NCC1=CC2=CC=CN=C2N1 CS-0088919 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.32 NCC1=CC2=NC=CC=C2N1 CS-0088922 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.32 O=CC1=CC2=C(C=CN=C2)S1 CS-0060710 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.32 O=CC1=CC2=CC=CN=C2N1 CS-0003988 [1,0,0,0,0,0|1,0,0]=2 21 B12R2.32 O=CC1=CC2=CC=CN=C2S1 CS-0084890 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.32 O=CC1=CC2=CN=CN=C2S1 CS-0046523 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.32 O=CC1=CN2C=CC=CC2=N1 CS-0084862 [1,0,0,0,0,0|1,0,1]=3 24 B12R2.32 O=CC1=CN2C=CC=NC2=N1 CS-0100772 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.32 O=CC1=CN2C=CN=CC2=N1 CS-0085064 [1,0,0,0,0,0|2,0,1]=4 26 B12R2.32 OCC1=CC2=C(C=CN=C2)O1 CS-0087970 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.32 OCC1=CC2=CC=CN=C2S1 CS-0084898 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.32 OCC1=CC2=CN=CC=C2S1 CS-0081030 [1,0,0,0,0,0|2,0,1]=4 29 B14R2.450 CC(=O)C1=C(C)C2=CC=CC=C2O1 CS-0062605 [0,1,0,0,0,0|2,0,0]=3 30 B14R2.450 CC(=O)C1=C(N)C2=CC=CC=C2O1 CS-0022320 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.450 CC(=O)C1=C(O)C2=CC=CC=C2O1 CS-0062610 [0,1,0,0,0,0|2,0,0]=3 32 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 CS-0105028 [0,1,0,0,0,0|0,0,0]=1 33 B14R2.450 CN1C(C(=O)O)=CC2=CC=CN=C21 CS-0052460 [0,1,0,0,0,0|1,0,0]=2 34 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 CS-0038013 [0,1,0,0,0,0|0,0,0]=1 35 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CN=C2S1 CS-0084894 [0,1,0,0,0,0|2,0,0]=3 36 B14R2.450 O=C(O)C1=NN2C=CC=CC2=C1Br CS-0088109 [0,1,0,0,0,0|1,0,1]=3 37 B14R2.450 O=C(O)C1=NN2C=CC=NC2=C1Br CS-0080350 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.450 O=[N+]([O-])C1=C(Br)C2=CC=CC=C2S1 CS-0056219 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 CS-0055581 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 CS-D0719 [0,1,0,0,0,0|1,0,0]=2 41 B14R2.972 COC(=O)C1=CC2=CN=CC=C2S1 CS-0081744 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 CS-D0493 [0,1,0,0,0,0|1,0,0]=2 43 B14R2.972 COC(=O)C1=CN2C=CC=CC2=C1 CS-0067843 [0,1,0,0,0,0|2,0,0]=3 44 B14R2.972 COC(=O)C1=NC2=CC=CC=C2O1 CS-0061868 [0,1,0,0,0,0|1,0,1]=3 45 B14R2.972 O=C(CBr)C1=CC2=CC=CC=C2O1 CS-0062612 [0,1,0,0,0,0|2,0,0]=3 46 B14R2.3129 CC(C)(C)C1=CC2=CC=CC=C2N1 CS-0060883 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.4529 CC(=O)C1=CC2=CC(C)=CC=C2O1 CS-0062583 [0,1,0,0,0,0|2,0,0]=3 48 B14R2.4529 CC(=O)C1=CC2=CC(Cl)=CC=C2O1 CS-0062582 [0,1,0,0,0,0|2,0,0]=3 49 B14R2.4529 CC(=O)C1=CC2=CC(F)=CC=C2O1 CS-0062597 [0,1,0,0,0,0|2,0,0]=3 50 B14R2.4529 CC(=O)C1=CC2=CC(N)=CC=C2O1 CS-0062584 [0,1,0,0,0,0|2,0,0]=3 51 B14R2.4529 CC(=O)C1=CC2=CC(O)=CC=C2O1 CS-0062588 [0,1,0,0,0,0|2,0,0]=3 52 B14R2.4529 CC(=O)C1=CC2=CC=C(Br)C=C2O1 CS-0062594 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.4529 CC(=O)C1=CC2=CC=C(C)C=C2O1 CS-0062585 [0,1,0,0,0,0|2,0,0]=3 54 B14R2.4529 CC(=O)C1=CC2=CC=C(F)C=C2O1 CS-0062598 [0,1,0,0,0,0|2,0,0]=3 55 B14R2.4529 CC(=O)C1=CC2=CC=C(O)C=C2O1 CS-0062593 [0,1,0,0,0,0|2,0,0]=3 56 B14R2.4529 CC1=CC2=NC(C(=O)O)=CN2C=C1 CS-0081074 [0,1,0,0,0,0|1,0,1]=3 57 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=N1 CS-0050169 [0,1,0,0,0,0|1,0,0]=2 58 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 CS-0062592 [0,1,0,0,0,0|1,0,0]=2 59 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 CS-0062601 [0,1,0,0,0,0|1,0,0]=2 60 B14R2.4529 CC1=CN2N=C(C(=O)O)C=C2N=C1 CS-0080356 [0,1,0,0,0,0|2,0,1]=4 61 B14R2.4529 CC1=CN=C2NC(C(=O)O)=CC2=C1 CS-0050442 [0,1,0,0,0,0|1,0,0]=2 62 B14R2.4529 CC1=NC=C2SC(C(=O)O)=CC2=N1 CS-0085409 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Br)=C2)N1 CS-0062132 [0,1,0,0,0,0|1,0,0]=2 64 B14R2.4529 NC1=CN2C=C(C(=O)O)N=C2C=C1 CS-0099578 [0,1,0,0,0,0|1,0,1]=3 65 B14R2.4529 NC1=CN=C2NC(C(=O)O)=CC2=C1 CS-0050696 [0,1,0,0,0,0|1,0,0]=2 66 B14R2.4529 NC1=NC=C2C=C(C(=O)O)SC2=N1 CS-0046532 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 CS-0036482 [0,1,0,0,0,0|1,0,0]=2 68 B14R2.4529 O=C(O)C1=CC2=C(N=C(Br)C=C2)N1 CS-0050310 [0,1,0,0,0,0|1,0,0]=2 69 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 CS-0062572 [0,1,0,0,0,0|1,0,0]=2 70 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 CS-0050645 [0,1,0,0,0,0|1,0,0]=2 71 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 CS-0050555 [0,1,0,0,0,0|2,0,0]=3 72 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 CS-W010579 [0,1,0,0,0,0|1,0,0]=2 73 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2O1 CS-0062578 [0,1,0,0,0,0|1,0,0]=2 74 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2O1 CS-0043690 [0,1,0,0,0,0|1,0,0]=2 75 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2O1 CS-0062590 [0,1,0,0,0,0|1,0,0]=2 76 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 CS-0050309 [0,1,0,0,0,0|1,0,0]=2 77 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 CS-0050234 [0,1,0,0,0,0|1,0,0]=2 78 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 CS-W022470 [0,1,0,0,0,0|1,0,1]=3 79 B14R2.4529 O=C(O)C1=CN2C=CC(Br)=CC2=N1 CS-0035435 [0,1,0,0,0,0|1,0,1]=3 80 B14R2.4529 O=C(O)C1=CN2C=CC(F)=CC2=N1 CS-0050024 [0,1,0,0,0,0|1,0,1]=3 81 B14R2.4529 O=C(O)C1=NC2=CC(Br)=CC=C2N1 CS-D0219 [0,1,0,0,0,0|1,0,0]=2 82 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2S1 CS-0021450 [0,1,0,0,0,0|1,0,1]=3 83 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=CC2=C1 CS-0050250 [0,1,0,0,0,0|1,0,1]=3 84 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=NC2=C1 CS-0080420 [0,1,0,0,0,0|2,0,1]=4 85 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=NC2=C1 CS-0050213 [0,1,0,0,0,0|2,0,1]=4 86 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 CS-0050560 [0,1,0,0,0,0|1,0,1]=3 87 B14R2.4529 O=C(O)C1=NN2C=CC(Cl)=CC2=N1 CS-0050057 [0,1,0,0,0,0|2,0,1]=4 88 B14R2.4529 O=C(O)C1CC2=C(C=CC(Cl)=C2)O1 CS-0109784 [0,1,0,0,0,0|1,0,2]=4 89 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)N1 CS-0089349 [0,1,0,0,0,0|1,0,1]=3 90 B14R2.4529 OB(O)C1=CC2=CC(Br)=CC=C2S1 CS-0110021 [0,1,0,0,0,0|2,0,1]=4 91 B14R2.4529 OB(O)C1=CC2=CC(F)=CC=C2S1 CS-0042954 [0,1,0,0,0,0|2,0,1]=4 92 B14R2.7969 CC(=O)C1=CC2=C(O)C=CC=C2O1 CS-0062587 [0,1,0,0,0,0|2,0,0]=3 93 B14R2.7969 CC(=O)C1=CC2=CC=CC(Br)=C2O1 CS-0062596 [0,1,0,0,0,0|2,0,0]=3 94 B14R2.7969 CC(=O)C1=CC2=CC=CC(F)=C2O1 CS-0062600 [0,1,0,0,0,0|2,0,0]=3 95 B14R2.7969 CC(=O)C1=CC2=CC=CC(O)=C2O1 CS-0062569 [0,1,0,0,0,0|2,0,0]=3 96 B14R2.7969 CC1=C2C=C(C(=O)O)SC2=CC=C1 CS-0093886 [0,1,0,0,0,0|1,0,0]=2 97 B14R2.7969 CC1=C2OC(C(=O)O)=CC2=CC=C1 CS-0062591 [0,1,0,0,0,0|1,0,0]=2 98 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)S1 CS-0060079 [0,1,0,0,0,0|2,0,0]=3 99 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 CS-0050947 [0,1,0,0,0,0|1,0,0]=2 100 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)S1 CS-0050882 [0,1,0,0,0,0|3,0,0]=4 101 B14R2.7969 O=C(O)C1=CC2=C(NC=NC2=O)S1 CS-0110099 [0,1,0,0,0,0|3,0,0]=4 102 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=NC=C2 CS-0112301 [0,1,0,0,0,0|2,0,0]=3 103 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2N1 CS-0050052 [0,1,0,0,0,0|1,0,0]=2 104 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2S1 CS-0050035 [0,1,0,0,0,0|2,0,0]=3 105 B14R2.7969 O=C(O)C1=CN2C(Br)=CC=CC2=N1 CS-0058661 [0,1,0,0,0,0|1,0,1]=3 106 B14R2.7969 O=C(O)C1=CN2C(Cl)=CC=CC2=N1 CS-0033876 [0,1,0,0,0,0|1,0,1]=3 107 B14R2.7969 O=C(O)C1=NC2=C(N=CC=C2Cl)N1 CS-0050046 [0,1,0,0,0,0|2,0,0]=3 108 B14R2.7969 O=C(O)C1=NN2C(Br)=CC=CC2=C1 CS-0050060 [0,1,0,0,0,0|1,0,1]=3 109 B14R2.7969 O=C(O)C1=NN2C=CC=C(Br)C2=C1 CS-0050964 [0,1,0,0,0,0|1,0,1]=3 110 B14R2.7969 O=C(O)C1=NN2C=CNC(=O)C2=C1 CS-0112600 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O CS-0106156 [0,0,1,0,0,0|1,0,2]=4 112 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O CS-0035623 [0,0,1,0,0,0|1,0,2]=4 113 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O CS-0038773 [0,0,1,0,0,0|1,0,2]=4 114 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 CS-0060520 [0,0,1,0,0,0|1,0,2]=4 115 B12R1.125 C(C(=O)O)=CC1=CC=CC=C1Br CS-W014204 [0,0,1,0,0,0|1,0,0]=2 116 B12R1.125 CC(C)=CCC1=C(N)C=CC=C1 CS-0112107 [0,0,1,0,0,0|2,0,1]=4 117 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1Cl CS-0062438 [0,0,1,0,0,0|2,0,1]=4 118 B12R2.252 O=C(O)C1=CC2=C(C=CN2)S1 CS-0038040 [0,0,0,0,1,0|2,0,0]=3 119 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 CS-0093690 [0,0,0,0,1,0|1,0,0]=2 120 B12R2.252 O=C(O)C1=CC2=C(NC=C2)N1 CS-0098488 [0,0,0,0,1,0|1,0,0]=2 121 B12R2.252 O=C(O)C1=CC2=C(NC=N2)N1 CS-0098478 [0,0,0,0,1,0|2,0,0]=3 122 B14R2.768 O=C(O)CC1=CN2C=CC=CC2=N1 CS-0084901 [0,0,0,0,0,1|1,0,1]=3 123 B14R2.768 O=C(O)CC1=CN2C=CC=NC2=N1 CS-0094345 [0,0,0,0,0,1|2,0,1]=4 124 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 CS-0037477 [0,0,0,0,0,1|1,0,0]=2 125 B14R2.781 CC(=O)C1=CC2=C(C=C1)N=CC=C2 CS-0060853 [0,0,0,0,0,1|3,0,0]=4 126 B14R2.781 CC(=O)C1=CC2=CC=NC=C2C=C1 CS-0036891 [0,0,0,0,0,1|3,0,0]=4 127 B14R2.781 N=C(N)C1=NC2=CC=CC=C2C=C1 CS-0038294 [0,0,0,0,0,1|2,0,1]=4 128 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 CS-0052127 [0,0,0,0,0,1|1,0,1]=3 129 B14R2.781 O=C(O)C1=NC2=C(C=CC=N2)C=C1 CS-0043745 [0,0,0,0,0,1|1,0,1]=3 130 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 CS-0006527 [0,0,0,0,0,1|1,0,1]=3 131 B14R2.781 OB(O)C1=NC2=CC=CC=C2N=C1 CS-0099723 [0,0,0,0,0,1|1,0,2]=4 132 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 CS-0109600 [1,0,1,0,0,0|2,0,0]=4 133 B11R2.10 CC1=CC2=CC=NC=C2N1 CS-0051883 [2,0,0,0,0,0|1,0,1]=4 134 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 CS-0088486 [2,0,0,0,0,0|1,0,0]=3 135 B11R2.10 O=C1CC2=CC=NC=C2N1 CS-0052559 [2,0,0,0,0,0|1,0,1]=4 136 B11R2.10 OC1=CN2C=CC=CC2=N1 CS-0044053 [2,0,0,0,0,0|1,0,1]=4 137 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 CS-0062179 [0,1,1,0,0,0|1,0,0]=3 138 B13R1.133 O=C(O)C(=O)NC1=NC=C(Cl)C=C1 CS-0053035 [0,1,1,0,0,0|2,0,0]=4 139 B13R1.148 N[C@H](CC1=CC(O)=CC=C1)C(=O)O CS-0060412 [0,1,1,0,0,0|0,0,2]=4 140 B13R1.202 N[C@H](CC1=CC=CC=C1Br)C(=O)O CS-0112881 [0,1,1,0,0,0|0,0,2]=4 141 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Br)C=C1 CS-0038970 [0,1,1,0,0,0|1,0,0]=3 142 B13R1.164 O=C(O)\C=C\C1=CC=C(F)C=C1F CS-0037496 [0,1,1,0,0,0|1,0,0]=3 143 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F CS-0099948 [0,1,1,0,0,0|1,0,0]=3 144 B13R2.26 NCCC1=CC2=CC=CC=C2N1 CS-0035427 [1,1,0,0,0,0|1,0,1]=4 145 B13R2.26 OCCC1=CC2=CC=CC=C2N1 CS-0038120 [1,1,0,0,0,0|0,0,1]=3 146 B13R2.43 CC1=CC2=C(C=C1)NC(C=O)=C2 CS-0093951 [1,1,0,0,0,0|0,0,0]=2 147 B13R2.43 CC1=CC=C2SC(C=O)=CC2=C1 CS-0100018 [1,1,0,0,0,0|1,0,0]=3 148 B13R2.43 CC1=CN2C=C(C=O)N=C2C=C1 CS-0084915 [1,1,0,0,0,0|1,0,1]=4 149 B13R2.43 NCC1=CC2=C(C=CC(Br)=C2)N1 CS-0069159 [1,1,0,0,0,0|1,0,1]=4 150 B13R2.43 NCC1=CC2=C(C=CC(F)=C2)N1 CS-0069120 [1,1,0,0,0,0|1,0,1]=4 151 B13R2.43 O=CC1=CC2=CC(Br)=CC=C2O1 CS-0021444 [1,1,0,0,0,0|1,0,0]=3 152 B13R2.43 O=CC1=CC2=CC(F)=CC=C2O1 CS-0021489 [1,1,0,0,0,0|1,0,0]=3 153 B13R2.43 O=CC1=CC2=CC=C(Br)C=C2S1 CS-0067832 [1,1,0,0,0,0|1,0,0]=3 154 B13R2.43 O=CC1=CN2C=C(Cl)C=CC2=N1 CS-0084916 [1,1,0,0,0,0|1,0,1]=4 155 B13R2.43 O=CC1=CN2C=C(F)C=CC2=N1 CS-0099650 [1,1,0,0,0,0|1,0,1]=4 156 B13R2.43 O=CC1=NC2=CC=C(F)C=C2S1 CS-0099935 [1,1,0,0,0,0|1,0,1]=4 157 B13R2.43 OCC1=CC2=CC(Br)=CC=C2O1 CS-0021443 [1,1,0,0,0,0|1,0,1]=4 158 B13R2.43 OCC1=CC2=CC(F)=CC=C2O1 CS-0021488 [1,1,0,0,0,0|1,0,1]=4 159 B13R2.45 CC1=C(C=O)OC2=CC=CC=C21 CS-0062595 [1,1,0,0,0,0|1,0,0]=3 160 B13R2.45 CN1C(C=O)=CC2=CC=CN=C21 CS-0052461 [1,1,0,0,0,0|1,0,0]=3 161 B13R2.54 CC1=CC=CC2=C1C=C(C=O)N2 CS-0107095 [1,1,0,0,0,0|0,0,0]=2 162 B13R2.54 CC1=CC=CC2=NC(C=O)=CN12 CS-0038289 [1,1,0,0,0,0|1,0,1]=4 163 B13R2.54 CC1=CC=CN2C=C(C=O)N=C12 CS-0084907 [1,1,0,0,0,0|1,0,1]=4 164 B13R2.54 O=CC1=CC2=C(C=CN=C2Cl)O1 CS-0087991 [1,1,0,0,0,0|2,0,0]=4 165 B13R2.54 O=CC1=CC2=C(C=CNC2=O)O1 CS-0060068 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.54 O=CC1=CC2=C(C=CNC2=O)S1 CS-0081007 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.54 O=CC1=CN2C=CC=C(Br)C2=N1 CS-0054672 [1,1,0,0,0,0|1,0,1]=4 168 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)S1 CS-0042687 [0,1,0,0,1,0|1,0,0]=3 169 B13R2.400 O=C(O)C1=CC2=C(C=C(Br)S2)N1 CS-0080386 [0,1,0,0,1,0|1,0,0]=3 170 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 CS-0100849 [0,1,0,0,1,0|1,0,0]=3 171 B13R2.531 COC(=O)C1=CC2=C(NC=C2)N1 CS-0098487 [0,1,0,0,1,0|1,0,0]=3 172 B13R2.531 COC(=O)C1=CC2=C(NC=N2)N1 CS-0098479 [0,1,0,0,1,0|2,0,0]=4 173 B15R2.629 CN1C(CC(=O)O)=CC2=CC=CC=C21 CS-0038848 [0,1,0,0,0,1|0,0,0]=2 174 B15R2.7252 O=C(O)CC1=CN2C=C(Cl)C=CC2=N1 CS-0084751 [0,1,0,0,0,1|1,0,1]=4 175 B15R2.984 CN1CC2=CC=CC=C2CC1C(=O)O CS-0061764 [0,1,0,0,0,1|0,0,2]=4 176 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2CC1 CS-0036272 [0,1,0,0,0,1|1,0,0]=3 177 B15R2.1601 COC(=O)C1=NC2=CC=NC=C2C=C1 CS-D0177 [0,1,0,0,0,1|1,0,1]=4 178 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2C=C1 CS-0060430 [0,1,0,0,0,1|1,0,0]=3 179 B15R2.7174 O=C(O)C1=NC2=CC(Br)=CC=C2C=C1 CS-W008858 [0,1,0,0,0,1|0,0,1]=3 180 B15R2.7180 CC1=CC=C2N=C(C(=O)O)C=CC2=C1 CS-0030111 [0,1,0,0,0,1|0,0,1]=3 181 B15R2.7180 NC1=CC2=C(C=N1)C=C(C(=O)O)C=C2 CS-0081535 [0,1,0,0,0,1|2,0,0]=4 182 B15R2.7180 NC1=CC=C2C=C(C(=O)O)C=CC2=C1 CS-0075924 [0,1,0,0,0,1|1,0,0]=3 183 B15R2.7180 NC1=CC=C2N=C(C(=O)O)C=CC2=C1 CS-0098351 [0,1,0,0,0,1|0,0,1]=3 184 B15R2.7180 NC1=NC2=CC=C(C(=O)O)C=C2C=C1 CS-D0353 [0,1,0,0,0,1|2,0,0]=4 185 B15R2.7180 O=C(O)C1=CC2=C(C=C1)C=C(Cl)N=C2 CS-0081532 [0,1,0,0,0,1|2,0,0]=4 186 B15R2.7180 O=C(O)C1=CC2=C(C=C1)N=C(Cl)C=C2 CS-W021678 [0,1,0,0,0,1|2,0,0]=4 187 B15R2.7180 O=C(O)C1=CC2=C(C=N1)C=C(Cl)C=C2 CS-0081547 [0,1,0,0,0,1|0,0,1]=3 188 B15R2.7180 O=C(O)C1=CC2=C(C=N1)C=C(O)C=C2 CS-0094953 [0,1,0,0,0,1|0,0,1]=3 189 B15R2.7180 O=C(O)C1=NC2=CC=C(Cl)C=C2C=C1 CS-0099704 [0,1,0,0,0,1|0,0,1]=3 190 B15R2.7180 O=C(O)C1=NC2=CC=C(F)C=C2C=C1 CS-0088149 [0,1,0,0,0,1|0,0,1]=3 191 B15R2.13598 O=C(O)C1=NC2=C(C=C1)C(O)=CC=C2 CS-0050414 [0,1,0,0,0,1|0,0,1]=3 192 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2S1 CS-0081210 [0,1,0,0,0,1|1,0,0]=3 193 B15R2.1592 COC(=O)C1=C(N)C2=C(C=NC=C2)S1 CS-0043147 [0,2,0,0,0,0|2,0,0]=4 194 B15R2.1592 COC(=O)C1=C(N)C2=CC=CC=C2O1 CS-0062552 [0,2,0,0,0,0|1,0,0]=3 195 B15R2.1592 COC(=O)C1=C(N)C2=CN=CC=C2S1 CS-0061816 [0,2,0,0,0,0|2,0,0]=4 196 B15R2.1592 COC(=O)C1=C(N)C2=NC=CC=C2S1 CS-0049125 [0,2,0,0,0,0|2,0,0]=4 197 B15R2.4190 CCC1=C(C(C)=O)OC2=CC=CC=C21 CS-0062607 [0,2,0,0,0,0|2,0,0]=4 198 B15R2.4190 COC1=C(C(=O)O)OC2=CC=CC=C21 CS-0062559 [0,2,0,0,0,0|1,0,0]=3 199 B15R2.7203 CC1=C(C(=O)O)N=C2C=CC(Cl)=CN21 CS-0099559 [0,2,0,0,0,0|1,0,1]=4 200 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(Br)C=C2 CS-0113080 [0,2,0,0,0,0|0,0,0]=2 201 B15R2.7203 CC1=C(C(=O)O)OC2=CC=C(Br)C=C21 CS-0062562 [0,2,0,0,0,0|1,0,0]=3 202 B15R2.7203 CC1=CC=C2NC(C(=O)O)=C(C)C2=C1 CS-0105027 [0,2,0,0,0,0|0,0,0]=2 203 B15R2.7203 CC1=CN2C(=NC(C(=O)O)=C2C)C=C1 CS-0099587 [0,2,0,0,0,0|1,0,1]=4 204 B15R2.7203 CN1C(C(=O)O)=CC2=C1C=C(F)C=C2 CS-0061758 [0,2,0,0,0,0|0,0,0]=2 205 B15R2.7203 CN1C(C(=O)O)=CC2=CN=C(Cl)N=C21 CS-0051923 [0,2,0,0,0,0|2,0,0]=4 206 B15R2.13463 CN1C(C(=O)O)=CC2=C(Cl)N=CN=C21 CS-0050891 [0,2,0,0,0,0|2,0,0]=4 207 B15R2.14758 CC1=CC=C2C(=N1)SC(C(=O)O)=C2N CS-0084896 [0,2,0,0,0,0|2,0,0]=4 208 B15R2.14758 CN1C(C(=O)O)=CC2=C1C=CC(F)=C2 CS-0050480 [0,2,0,0,0,0|0,0,0]=2 209 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2O1 CS-0030572 [0,2,0,0,0,0|1,0,0]=3 210 B15R2.1356 CCOC(=O)C1=CC2=CC=NC=C2N1 CS-0049552 [0,2,0,0,0,0|1,0,0]=3 211 B15R2.1356 N#CCC(=O)C1=CC2=CC=CC=C2O1 CS-0062611 [0,2,0,0,0,0|2,0,0]=4 212 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=N2)N1 CS-0048948 [0,2,0,0,0,0|1,0,0]=3 213 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=C2)S1 CS-0053872 [0,2,0,0,0,0|1,0,0]=3 214 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CN=C2S1 CS-0061855 [0,2,0,0,0,0|2,0,0]=4 215 B15R2.1590 COC(=O)C1=CC2=CC(Cl)=CC=C2S1 CS-0021453 [0,2,0,0,0,0|1,0,0]=3 216 B15R2.1590 COC(=O)C1=CC2=CC(F)=CN=C2N1 CS-0048982 [0,2,0,0,0,0|1,0,0]=3 217 B15R2.1590 COC(=O)C1=CC2=CC(N)=CN=C2N1 CS-0049015 [0,2,0,0,0,0|1,0,0]=3 218 B15R2.1590 COC(=O)C1=CC2=CN=C(Cl)C=C2N1 CS-0048933 [0,2,0,0,0,0|1,0,0]=3 219 B15R2.1590 COC(=O)C1=CC2=NC=C(Cl)C=C2N1 CS-0048934 [0,2,0,0,0,0|1,0,0]=3 220 B15R2.1590 COC(=O)C1=NC2=C(C=C(Br)C=C2)S1 CS-W005826 [0,2,0,0,0,0|1,0,1]=4 221 B15R2.1590 COC(=O)C1=NC2=C(C=C(C)C=C2)S1 CS-0036187 [0,2,0,0,0,0|1,0,1]=4 222 B15R2.1590 COC(=O)C1=NC2=CC=C(N)C=C2S1 CS-0108330 [0,2,0,0,0,0|1,0,1]=4 223 B15R2.1590 COC(=O)C1CC2=C(C=CC(Cl)=C2)N1 CS-0055912 [0,2,0,0,0,0|0,0,2]=4 224 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CC=C2N1 CS-0037917 [0,2,0,0,0,0|0,0,0]=2 225 B15R2.1598 COC(=O)C1=CC2=C(Br)C=NC=C2N1 CS-0049051 [0,2,0,0,0,0|1,0,0]=3 226 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2C)N1 CS-0054250 [0,2,0,0,0,0|0,0,0]=2 227 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2Cl)N1 CS-0058757 [0,2,0,0,0,0|0,0,0]=2 228 B15R2.1598 COC(=O)C1=CC2=C(C=CN=C2Br)N1 CS-0081028 [0,2,0,0,0,0|1,0,0]=3 229 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=NC=C2S1 CS-0061854 [0,2,0,0,0,0|2,0,0]=4 230 B15R2.1598 COC(=O)C1=CC2=C(Cl)N=CN=C2N1 CS-0049042 [0,2,0,0,0,0|2,0,0]=4 231 B15R2.1598 COC(=O)C1=CC2=C(I)C=CC=C2S1 CS-0041023 [0,2,0,0,0,0|1,0,0]=3 232 B15R2.1598 COC(=O)C1=CC2=C(N1)C(=O)NN=C2 CS-0112489 [0,2,0,0,0,0|2,0,0]=4 233 B15R2.1598 COC(=O)C1=CC2=CN=NC(Cl)=C2N1 CS-0104742 [0,2,0,0,0,0|2,0,0]=4 234 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2N1 CS-0048916 [0,2,0,0,0,0|1,0,0]=3 235 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2S1 CS-0048914 [0,2,0,0,0,0|2,0,0]=4 236 B15R2.1102 CC(=O)C1=CC2=CC(C)=C(C)C=C2O1 CS-0062558 [0,2,0,0,0,0|2,0,0]=4 237 B15R2.4834 COC1=CC2=C(C=C1)N=C(C(=O)O)S2 CS-0067221 [0,2,0,0,0,0|1,0,1]=4 238 B15R2.4834 COC1=CC=C2C=C(C(=O)O)OC2=C1 CS-0062580 [0,2,0,0,0,0|1,0,0]=3 239 B15R2.4834 COC1=CC=C2C=C(C(C)=O)OC2=C1 CS-0062571 [0,2,0,0,0,0|2,0,0]=4 240 B15R2.4834 COC1=CC=C2OC(C(=O)O)=CC2=C1 CS-0061982 [0,2,0,0,0,0|1,0,0]=3 241 B15R2.4834 COC1=CC=C2OC(C(C)=O)=CC2=C1 CS-0029601 [0,2,0,0,0,0|2,0,0]=4 242 B15R2.4834 COC1=CN2C=C(C(=O)O)N=C2C=C1 CS-0050178 [0,2,0,0,0,0|1,0,1]=4 243 B15R2.4834 N#CC1=CC2=C(C=C1)NC(C(=O)O)=C2 CS-0050504 [0,2,0,0,0,0|0,0,0]=2 244 B15R2.4834 N#CC1=CC=C2OC(C(=O)O)=CC2=C1 CS-0005546 [0,2,0,0,0,0|1,0,0]=3 245 B15R2.4834 N#CC1=CN2C=C(C(=O)O)N=C2C=C1 CS-0099571 [0,2,0,0,0,0|1,0,1]=4 246 B15R2.7254 CC1=C(Br)C=CC2=NC(C(=O)O)=CN21 CS-0097004 [0,2,0,0,0,0|1,0,1]=4 247 B15R2.7254 O=C(O)C1=CC2=C(C=CC(F)=C2F)O1 CS-0051110 [0,2,0,0,0,0|1,0,0]=3 248 B15R2.15633 CC1=CC(Br)=CN2C=C(C(=O)O)N=C12 CS-0099560 [0,2,0,0,0,0|1,0,1]=4 249 B15R2.15633 CC1=CN2C=C(C(=O)O)N=C2C(Br)=C1 CS-0099570 [0,2,0,0,0,0|1,0,1]=4 250 B15R2.15633 O=C(O)C1=CC2=C(Cl)N=C(Cl)N=C2N1 CS-0052152 [0,2,0,0,0,0|2,0,0]=4 251 B15R2.15633 O=C(O)C1=CC2=NC(Cl)=NC(Cl)=C2N1 CS-0052198 [0,2,0,0,0,0|2,0,0]=4 252 B15R2.15633 O=C(O)C1=CN2C=C(Br)C=C(Br)C2=N1 CS-0093672 [0,2,0,0,0,0|1,0,1]=4 253 B15R2.15633 O=C(O)C1=CN2C=C(Br)C=C(F)C2=N1 CS-0099568 [0,2,0,0,0,0|1,0,1]=4 254 B15R2.20824 COC1=C2C=C(C(C)=O)OC2=CC=C1 CS-0062589 [0,2,0,0,0,0|2,0,0]=4 255 B15R2.20824 COC1=C2OC(C(C)=O)=CC2=CC=C1 CS-0062566 [0,2,0,0,0,0|2,0,0]=4 256 B15R2.20824 COC1=CC=CN2C=C(C(=O)O)N=C12 CS-0049945 [0,2,0,0,0,0|1,0,1]=4 257 B13R2.369 CC1=C(N)C=C2C=CC=CC2=C1 CS-0108597 [0,0,1,1,0,0|2,0,0]=4 258 B13R2.369 CC1=NC2=CC=CC=C2C=C1N CS-W021729 [0,0,1,1,0,0|2,0,0]=4 259 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O CS-0099008 [0,0,1,1,0,0|1,0,0]=3 260 B13R2.369 OC1=CC2=CC=CC=C2C=C1Br CS-0112709 [0,0,1,1,0,0|2,0,0]=4 261 B13R2.72 CC(=O)C1=CN=C2C=CC=CN12 CS-0084906 [0,0,1,1,0,0|2,0,0]=4 262 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 CS-0038171 [0,0,1,1,0,0|2,0,0]=4 263 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 CS-0100832 [0,0,1,1,0,0|2,0,0]=4 264 B13R2.72 O=C(O)C1=CC=C2C=NC=NN21 CS-0096507 [0,0,1,1,0,0|2,0,0]=4 265 B13R2.72 O=C(O)C1=CN=C2C=CC=NN12 CS-0092089 [0,0,1,1,0,0|2,0,0]=4 266 B13R2.72 O=C(O)C1=CN=C2C=NC=CN12 CS-0049342 [0,0,1,1,0,0|2,0,0]=4 267 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 CS-0113082 [0,0,1,1,0,0|0,0,2]=4 268 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=N1 CS-0068313 [0,0,1,1,0,0|1,0,1]=4 269 B13R2.430 O=C(O)C1=CC2=CC=CN2C=N1 CS-0082383 [0,0,1,1,0,0|1,0,1]=4 270 B13R2.430 O=C(O)C1=CC=C2NC=CC2=N1 CS-0052492 [0,0,1,1,0,0|1,0,1]=4 271 B13R2.430 O=C(O)C1=NC=C2C=CSC2=C1 CS-0081738 [0,0,1,1,0,0|1,0,1]=4 272 B13R2.5569 O=C(O)C1=C2SC=CC2=CC=N1 CS-0047851 [0,0,1,1,0,0|1,0,1]=4 273 B13R2.5569 O=C(O)C1=CC=CC2=CC=NN21 CS-0005371 [0,0,1,1,0,0|1,0,0]=3 274 B13R2.5569 O=C(O)C1=CC=CC2=NC=CN12 CS-0036405 [0,0,1,1,0,0|1,0,0]=3 275 B13R2.5569 O=C(O)C1=CC=CC2=NC=NN12 CS-0053023 [0,0,1,1,0,0|2,0,0]=4 276 B13R2.5569 O=C(O)C1=CC=CC2=NN=CN12 CS-0053019 [0,0,1,1,0,0|2,0,0]=4 277 B13R2.5569 O=C(O)C1=CC=NC2=CC=NN21 CS-0080375 [0,0,1,1,0,0|2,0,0]=4 278 B13R2.5569 O=C(O)C1=NC=CC2=C1C=CO2 CS-0087980 [0,0,1,1,0,0|1,0,1]=4 279 B11R1.36 C=C(B(O)O)C1=CC=CC=C1 CS-0109518 [0,0,1,0,1,0|1,0,1]=4 280 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS-M0672 [0,0,1,0,1,0|0,0,0]=2 281 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 CS-0112655 [0,0,1,0,1,0|1,0,1]=4 282 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 CS-0112659 [0,0,1,0,1,0|1,0,1]=4 283 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 CS-0084722 [0,0,1,0,1,0|2,0,0]=4 284 B11R1.86 CC(=O)NC1=CC=CC=C1Br CS-0089804 [0,0,1,0,1,0|2,0,0]=4 285 B11R2.15 OCC1=CC2=C(N1)SC=C2 CS-0092840 [1,0,0,0,1,0|1,0,1]=4 286 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 CS-0036819 [0,0,1,0,0,1|0,0,2]=4 287 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 CS-0100047 [0,0,1,0,0,1|1,0,1]=4 288 B13R2.57 O=CC1=CC2=C(C=CC=N2)C=C1 CS-W010914 [1,0,0,0,0,1|2,0,0]=4 289 B13R2.57 O=CC1=NC2=CC=CC=C2C=N1 CS-0085133 [1,0,0,0,0,1|0,0,1]=3 290 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 CS-0043921 [1,0,0,0,0,1|0,0,1]=3