0 B14R2.112 C=CCC1=NC2=CC=CC=C2C=C1 SC-A2467 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.112 C[NH2+]CC1=CC=C2C=CC=CC2=C1 SC-14078 [0,0,0,0,0,0|2,0,0]=2 2 B14R2.112 NCCC1=CC=C2C=CC=NC2=C1 SC-45676 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.112 O=C=NC1=CC=C2C=CC=CC2=C1 SC-46210 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.57 BrCC1=CC2=CC=CC=C2N=C1 SC-12793 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 SC-46461 [1,0,0,0,0,0|1,0,0]=2 6 B13R2.57 BrCC1=CC=C2C=CC=CC2=N1 SC-21368 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.57 C#CC1=NC2=CC=CC=C2C=C1 SC-91694 [1,0,0,0,0,0|1,0,2]=4 8 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 SC-06880 [1,0,0,0,0,0|0,0,2]=3 9 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 SC-05054 [1,0,0,0,0,0|1,0,0]=2 10 B13R2.57 COC1=CC2=CC=CC=C2N=C1 SC-94939 [1,0,0,0,0,0|1,0,0]=2 11 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 SC-89432 [1,0,0,0,0,0|1,0,0]=2 12 B13R2.57 ClCC1=NC2=C(C=CC=C2)C=C1 SC-19736 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 SC-91484 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.57 ClCC1=NC=C2C=CC=CC2=N1 SC-25291 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.57 N#CC1=CC2=CC=CC=C2C=N1 SC-28241 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 SC-03694 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.57 N#CC1=CC=C2N=CC=CC2=C1 SC-42357 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 SC-48851 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 SC-12421 [1,0,0,0,0,0|1,0,0]=2 20 B13R2.57 NCC1=CC=C2C=CC=NC2=C1 SC-52736 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.57 NCC1=CC=C2N=CC=CC2=C1 SC-22514 [1,0,0,0,0,0|2,0,0]=3 22 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 SC-59125 [1,0,0,0,0,0|2,0,0]=3 23 B13R2.57 NNC1=CC=C2C=CC=CC2=C1 SC-16409 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.57 O=CC1=CC2=C(C=C1)C=NC=C2 SC-14670 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.57 O=CC1=CC2=C(C=CC=C2)C=C1 SC-06186 [1,0,0,0,0,0|1,0,1]=3 26 B13R2.57 O=CC1=CC2=C(C=CC=C2)C=N1 SC-34075 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 SC-23120 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 SC-49421 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 SC-05256 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 SC-23262 [1,0,0,0,0,0|2,0,0]=3 31 B13R2.57 OCC1=CC=C2N=CC=NC2=C1 SC-86805 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 SC-42508 [1,0,0,0,0,0|2,0,0]=3 33 B15R2.1290 CCOC1=CC=C2N=CC=C(Cl)C2=C1 SC-89568 [0,1,0,0,0,0|1,0,0]=2 34 B15R2.1290 CCOC1=CC=C2N=CC=C(O)C2=C1 SC-89567 [0,1,0,0,0,0|1,0,0]=2 35 B15R2.1601 COC(=O)C1=CC2=C(C=C1)N=CC=C2 SC-22943 [0,1,0,0,0,0|3,0,0]=4 36 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2N=C1 SC-65864 [0,1,0,0,0,0|3,0,0]=4 37 B15R2.1601 COC(=O)C1=CC=C2C=CC=NC2=C1 SC-90564 [0,1,0,0,0,0|3,0,0]=4 38 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 SC-25953 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 SC-25957 [0,0,1,0,0,0|1,0,2]=4 40 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 SC-44787 [0,0,1,0,0,0|2,0,1]=4 41 B13R2.1 NCCC1=CNC2=C1C=CC=C2 SC-05762 [0,0,0,0,1,0|3,0,0]=4 42 B13R2.1 NCCC1=COC2=CC=CC=C12 SC-13723 [0,0,0,0,1,0|3,0,0]=4 43 B13R2.1 NCCC1=CSC2=CC=CC=C12 SC-42134 [0,0,0,0,1,0|3,0,0]=4 44 B13R2.1 OCCC1=CNC2=C1C=CC=C2 SC-21882 [0,0,0,0,1,0|3,0,0]=4 45 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 SC-44851 [1,0,1,0,0,0|2,0,0]=4 46 B12R2.24 BrC1=CC2=C(C=C1)C=NC=C2 SC-21232 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 BrC1=CC2=C(C=CC=C2)C=N1 SC-33568 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 SC-05118 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 SC-05491 [2,0,0,0,0,0|1,0,0]=3 50 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 SC-25005 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 SC-05119 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 SC-86062 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 CC1=CC2=C(C=CC=C2)C=N1 SC-88168 [2,0,0,0,0,0|1,0,0]=3 54 B12R2.24 CC1=CC2=C(C=CC=C2)CC1 SC-88943 [2,0,0,0,0,0|0,0,2]=4 55 B12R2.24 CC1=CC2=C(C=CC=C2)N=C1 SC-05734 [2,0,0,0,0,0|1,0,0]=3 56 B12R2.24 CC1=CC=C2C=CC=NC2=C1 SC-05735 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.24 CC1=NC2=NC=CC=C2C=C1 SC-28410 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.24 ClC1=CC2=C(C=C1)C=NC=C2 SC-49050 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 SC-02122 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 IC1=CC=C2C=CC=CC2=C1 SC-66937 [2,0,0,0,0,0|1,0,0]=3 61 B12R2.24 IC1=CC=C2N=CC=CC2=C1 SC-24061 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 NC1=CC2=C(C=C1)C=NC=C2 SC-66133 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 NC1=CC2=C(C=CN=C2)C=C1 SC-21087 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 NC1=CC=C2C=CC=CC2=C1 SC-21231 [2,0,0,0,0,0|1,0,0]=3 65 B12R2.24 NC1=CC=C2N=CC=CC2=C1 SC-18457 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.24 NC1=NC2=CC=CC=C2C=C1 SC-05494 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 SC-06682 [2,0,0,0,0,0|1,0,0]=3 68 B12R2.24 OC1=CC2=C(C=CC=C2)C=N1 SC-27580 [2,0,0,0,0,0|1,0,0]=3 69 B12R2.24 OC1=CC2=CC=CC=C2N=C1 SC-47514 [2,0,0,0,0,0|1,0,0]=3 70 B12R2.24 OC1=CC=C2C=CC=NC2=C1 SC-05493 [2,0,0,0,0,0|1,0,0]=3 71 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 SC-26008 [0,1,1,0,0,0|1,0,1]=4 72 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 SC-49089 [0,1,1,0,0,0|1,0,0]=3 73 B14R1.156 C=CCOC(=O)\C=C\C1=CC=CC=C1 SC-93542 [0,1,1,0,0,0|1,0,1]=4 74 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 SC-82306 [0,1,1,0,0,0|1,0,0]=3 75 B14R1.502 CCOC(=O)\C=C\C1=CC=C(F)C=C1 SC-87584 [0,1,1,0,0,0|1,0,0]=3 76 B14R2.92 COC1=CC=C2C=CC=CC2=C1Br SC-65633 [1,1,0,0,0,0|0,0,0]=2 77 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br SC-48651 [1,1,0,0,0,0|1,0,0]=3 78 B14R2.92 O=CC1=C(O)C2=CC=CC=C2C=C1 SC-19860 [1,1,0,0,0,0|1,0,1]=4 79 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1Br SC-52109 [1,1,0,0,0,0|1,0,1]=4 80 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 SC-A4837 [1,1,0,0,0,0|0,0,0]=2 81 B14R2.134 COC1=CC=C2N=CC(N)=CC2=C1 SC-68529 [1,1,0,0,0,0|1,0,0]=3 82 B14R2.134 NCC1=CC=C2N=CC(Br)=CC2=C1 SC-A3683 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.142 COC1=CC2=C(Cl)N=CN=C2C=C1 SC-46110 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.142 COC1=CC=C2N=CC=C(Br)C2=C1 SC-50105 [1,1,0,0,0,0|1,0,0]=3 85 B14R2.142 COC1=CC=C2N=CC=C(O)C2=C1 SC-28278 [1,1,0,0,0,0|1,0,0]=3 86 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 SC-74862 [1,1,0,0,0,0|0,0,1]=3 87 B14R2.781 CC(=O)C1=CC2=CC=CC=C2N=C1 SC-30991 [1,1,0,0,0,0|1,0,1]=4 88 B14R2.781 CC(C)C1=CC2=C(C=C1)C=NC=C2 SC-94844 [1,1,0,0,0,0|1,0,0]=3 89 B14R2.781 CC(N)C1=CC=C2C=CC=CC2=C1 SC-91260 [1,1,0,0,0,0|0,0,0]=2 90 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 SC-07352 [1,1,0,0,0,0|1,0,1]=4 91 B14R2.781 OB(O)C1=CC2=C(C=CC=C2)C=C1 SC-03456 [1,1,0,0,0,0|2,0,0]=4 92 B14R2.1801 COC1=CC2=CC=CC(Br)=C2C=C1 SC-91163 [1,1,0,0,0,0|0,0,0]=2 93 B14R2.1801 COC1=CC2=CC=CC(O)=C2C=C1 SC-47537 [1,1,0,0,0,0|0,0,0]=2 94 B14R2.1801 COC1=CC2=CC=C[N+]([O-])=C2C=C1 SC-A3116 [1,1,0,0,0,0|1,0,0]=3 95 B14R2.1801 COC1=CC2=NC=CC(Cl)=C2C=C1 SC-24384 [1,1,0,0,0,0|1,0,0]=3 96 B14R2.1801 COC1=CC2=NC=NC(Cl)=C2C=C1 SC-55369 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.1801 COC1=CC=C2C(=C1)C=CN=C2Cl SC-24355 [1,1,0,0,0,0|1,0,0]=3 98 B14R2.1801 O=CC1=CC=C2C(O)=CC=CC2=C1 SC-90386 [1,1,0,0,0,0|1,0,1]=4 99 B14R2.1801 OCC1=CC2=CC=CC(O)=C2C=C1 SC-90385 [1,1,0,0,0,0|1,0,0]=3 100 B14R2.2332 BrCC1=CC2=CC=C(Br)C=C2C=C1 SC-61942 [1,1,0,0,0,0|1,0,0]=3 101 B14R2.2332 CC1=NC2=CC=C(CO)C=C2C=C1 SC-13532 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.2332 COC1=CC2=CC=C(Br)C=C2C=C1 SC-16532 [1,1,0,0,0,0|0,0,0]=2 103 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 SC-04931 [1,1,0,0,0,0|0,0,0]=2 104 B14R2.2332 COC1=CC2=CN=C(Cl)N=C2C=C1 SC-44710 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.2332 COC1=CC=C2C=C(Br)C=NC2=C1 SC-28227 [1,1,0,0,0,0|1,0,0]=3 106 B14R2.2332 COC1=CC=C2C=C(Cl)C=NC2=C1 SC-22961 [1,1,0,0,0,0|1,0,0]=3 107 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 SC-78502 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=C1 SC-50683 [1,1,0,0,0,0|1,0,0]=3 109 B14R2.2332 COC1=NC2=C(C=C1)C=C(Br)C=C2 SC-29650 [1,1,0,0,0,0|1,0,0]=3 110 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 SC-65452 [0,1,0,0,1,0|1,0,1]=4 111 B14R2.67 CCCCC1=CC2=CC=CC=C2O1 SC-17544 [0,1,0,0,1,0|2,0,0]=4 112 B14R2.991 CCOCC1=CC2=C(C=CN2)C=C1 SC-13016 [0,1,0,0,1,0|1,0,0]=3 113 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2OC1 SC-65677 [0,2,0,0,0,0|1,0,1]=4 114 B16R2.1229 COC(=O)C1=CC=C2C=CC=CC2=C1N SC-82363 [0,2,0,0,0,0|2,0,0]=4 115 B16R2.33799 COC(=O)C1=CC=C2C=C(Br)C=CC2=C1 SC-46695 [0,2,0,0,0,0|2,0,0]=4 116 B14R2.7150 NCCC1=C2C=CC=CC2=CC=C1 SC-39790 [0,0,1,1,0,0|2,0,0]=4 117 B16R3.2754 NC1=C2CCCC2=NC3=CC=CC=C31 SC-22162 [0,1,0,1,0,0|2,0,0]=4 118 B16R3.335 CC1=NC2=CC=C3C=CC=CC3=C2O1 SC-77066 [0,1,0,1,0,0|1,0,1]=4 119 B12R1.308 CCOC(=N)C1=CC=CC=C1C SC-89853 [0,0,1,0,1,0|1,0,1]=4 120 B12R1.308 CCOC(=O)C1=C(N)C=CC=C1 SC-47282 [0,0,1,0,1,0|2,0,0]=4 121 B12R1.308 CCOC(=O)C1=CC=CC=C1O SC-79630 [0,0,1,0,1,0|2,0,0]=4 122 B12R2.1 NCC1=CNC2=CC=CC=C12 SC-21199 [1,0,0,0,1,0|2,0,0]=4 123 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 SC-62843 [1,0,0,0,1,0|2,0,0]=4 124 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 SC-46532 [1,0,0,0,1,0|2,0,0]=4 125 B12R2.44 COC1=CC2=C(C=C1)NN=C2 SC-12978 [1,0,0,0,1,0|2,0,0]=4 126 B12R2.44 COC1=CC2=C(C=C1)OC=C2 SC-46121 [1,0,0,0,1,0|1,0,0]=3 127 B12R2.44 COC1=CC2=C(C=CN2)C=C1 SC-03398 [1,0,0,0,1,0|1,0,0]=3 128 B12R2.44 COC1=CC2=C(C=N1)NC=C2 SC-52622 [1,0,0,0,1,0|2,0,0]=4 129 B12R2.44 COC1=CC=C2C=CNC2=N1 SC-44497 [1,0,0,0,1,0|2,0,0]=4 130 B12R2.44 COC1=CC=C2C=CSC2=C1 SC-91346 [1,0,0,0,1,0|1,0,0]=3 131 B12R2.44 COC1=CC=C2C=NNC2=C1 SC-22509 [1,0,0,0,1,0|2,0,0]=4 132 B12R2.44 COC1=CC=C2N=CSC2=C1 SC-84868 [1,0,0,0,1,0|2,0,0]=4 133 B12R2.44 COC1=CC=C2NC=CC2=C1 SC-00047 [1,0,0,0,1,0|1,0,0]=3 134 B12R2.44 COC1=CC=C2NC=CC2=N1 SC-36599 [1,0,0,0,1,0|2,0,0]=4 135 B12R2.44 COC1=CC=C2SC=NC2=C1 SC-89428 [1,0,0,0,1,0|2,0,0]=4 136 B12R2.44 COC1=CN=C2NC=CC2=C1 SC-44840 [1,0,0,0,1,0|2,0,0]=4 137 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 SC-45586 [1,0,0,0,1,0|2,0,0]=4 138 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 SC-45587 [1,0,0,0,1,0|2,0,0]=4 139 B12R2.44 OCC1=CC=C2SC=CC2=C1 SC-A3778 [1,0,0,0,1,0|2,0,0]=4 140 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 SC-31188 [0,0,1,0,0,1|1,0,1]=4