0 B14R2.112 CNCC1=CC2=CC=CN=C2C=C1 SY004184 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.112 CNCC1=CC=C2C=CC=CC2=C1 SY096670 [0,0,0,0,0,0|2,0,0]=2 2 B14R2.112 ClCCC1=NC=C2C=CC=CC2=N1 SY033989 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.112 ClCOC1=CC2=C(C=CC=C2)C=C1 SY298507 [0,0,0,0,0,0|1,0,0]=1 4 B14R2.112 N#CCC1=CC=C2C=CC=CC2=C1 SY015803 [0,0,0,0,0,0|2,0,1]=3 5 B14R2.112 NCCC1=NC2=CC=CC=C2C=C1 SY183807 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.112 NNCC1=CC=C2C=CC=CC2=C1 SY048074 [0,0,0,0,0,0|3,0,0]=3 7 B14R2.112 NOCC1=CC=C2C=CC=CC2=C1 SY281750 [0,0,0,0,0,0|3,0,0]=3 8 B14R2.112 NOCC1=CC=C2C=CC=CC2=C1 SY281751 [0,0,0,0,0,0|3,0,0]=3 9 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 SY107549 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 SY117281 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.57 BrCC1=NC2=C(C=CC=C2)C=C1 SY018619 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 SY050708 [1,0,0,0,0,0|0,0,2]=3 13 B13R2.57 C1=C2C=CC=CC2=CC=C1OC SY246289 [1,0,0,0,0,0|0,0,0]=1 14 B13R2.57 C1=CC2=CC=C(OC)C=C2C=C1 SY246288 [1,0,0,0,0,0|0,0,0]=1 15 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 SY106378 [1,0,0,0,0,0|0,0,2]=3 16 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 SY013880 [1,0,0,0,0,0|1,0,0]=2 17 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 SY012831 [1,0,0,0,0,0|1,0,0]=2 18 B13R2.57 COC1=CC2=C(C=CN=C2)C=C1 SY021161 [1,0,0,0,0,0|1,0,0]=2 19 B13R2.57 COC1=CC2=CC=CC=C2N=C1 SY021113 [1,0,0,0,0,0|1,0,0]=2 20 B13R2.57 COC1=CC=C2C=CC=NC2=C1 SY021166 [1,0,0,0,0,0|1,0,0]=2 21 B13R2.57 COC1=CC=C2C=CC=NC2=C1 SY021167 [1,0,0,0,0,0|1,0,0]=2 22 B13R2.57 COC1=NC2=CC=CC=C2C=C1 SY034140 [1,0,0,0,0,0|1,0,0]=2 23 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 SY018308 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.57 ClCC1=NC=C2C=CC=CC2=N1 SY027936 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.57 N#CC1=CC2=C(C=C1)C=NC=C2 SY005144 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.57 N#CC1=CC2=C(C=CC=C2)C=N1 SY062299 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.57 N#CC1=CC=C2C=CC=CC2=C1 SY049690 [1,0,0,0,0,0|1,0,1]=3 28 B13R2.57 N#CC1=CC=C2N=CC=CC2=C1 SY024166 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.57 NCC1=CC2=C(C=C1)N=CC=C2 SY003390 [1,0,0,0,0,0|2,0,0]=3 30 B13R2.57 NCC1=CC2=C(C=CC=C2)C=N1 SY035476 [1,0,0,0,0,0|2,0,0]=3 31 B13R2.57 NCC1=CC2=CC=CN=C2C=C1 SY006419 [1,0,0,0,0,0|2,0,0]=3 32 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 SY023509 [1,0,0,0,0,0|1,0,0]=2 33 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 SY032005 [1,0,0,0,0,0|1,0,0]=2 34 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 SY034716 [1,0,0,0,0,0|2,0,0]=3 35 B13R2.57 NCC1=NC2=CC=CC=C2N=C1 SY024808 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.57 NNC1=CC=C2C=CC=CC2=C1 SY047024 [1,0,0,0,0,0|2,0,0]=3 37 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 SY049526 [1,0,0,0,0,0|3,0,0]=4 38 B13R2.57 NOC1=CC2=CC=CC=C2N=C1 SY282520 [1,0,0,0,0,0|2,0,0]=3 39 B13R2.57 NOC1=CC2=CC=CC=C2N=C1 SY282521 [1,0,0,0,0,0|2,0,0]=3 40 B13R2.57 NOC1=CC=C2C=CC=CC2=C1 SY282068 [1,0,0,0,0,0|1,0,0]=2 41 B13R2.57 NOC1=CC=C2C=CC=CC2=C1 SY282069 [1,0,0,0,0,0|1,0,0]=2 42 B13R2.57 NOC1=CC=C2N=CC=CC2=C1 SY282276 [1,0,0,0,0,0|2,0,0]=3 43 B13R2.57 NOC1=CC=C2N=CC=CC2=C1 SY282277 [1,0,0,0,0,0|2,0,0]=3 44 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 SY002981 [1,0,0,0,0,0|2,0,1]=4 45 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 SY006068 [1,0,0,0,0,0|2,0,1]=4 46 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 SY050688 [1,0,0,0,0,0|2,0,1]=4 47 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 SY019180 [1,0,0,0,0,0|2,0,1]=4 48 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 SY021110 [1,0,0,0,0,0|1,0,0]=2 49 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 SY003114 [1,0,0,0,0,0|2,0,0]=3 50 B13R2.57 OCC1=NC2=CC=CC=C2N=C1 SY024806 [1,0,0,0,0,0|3,0,0]=4 51 B15R2.352 ClCCCC1=NC=C2C=CC=CC2=N1 SY033990 [0,1,0,0,0,0|3,0,0]=4 52 B15R2.352 N#CCOC1=CC=C2C=CC=CC2=C1 SY067734 [0,1,0,0,0,0|0,0,1]=2 53 B15R2.352 NCCOC1=CC=C2C=CC=CC2=C1 SY169760 [0,1,0,0,0,0|0,0,0]=1 54 B15R2.352 O=CCCC1=CC=C2N=CC=CC2=C1 SY253547 [0,1,0,0,0,0|2,0,1]=4 55 B15R2.888 O=C1NC2=C(C=CC=C2)C=C1CCBr SY291099 [0,1,0,0,0,0|3,0,0]=4 56 B15R2.1282 CCOC1=CC2=CC(O)=CC=C2C=C1 SY039189 [0,1,0,0,0,0|0,0,0]=1 57 B15R2.1282 ClCOC1=CC2=C(C=CC(Br)=C2)C=C1 SY298443 [0,1,0,0,0,0|1,0,0]=2 58 B15R2.1290 CCOC1=CC2=C(C=C1)NC=CC2=O SY227478 [0,1,0,0,0,0|1,0,0]=2 59 B15R2.1290 CCOC1=CC=C2N=CC=C(Br)C2=C1 SY293529 [0,1,0,0,0,0|1,0,0]=2 60 B15R2.1290 CCOC1=CC=C2N=CC=C(Cl)C2=C1 SY227424 [0,1,0,0,0,0|1,0,0]=2 61 B15R2.1601 C#CC(O)C1=CC2=CC=CC=C2C=C1 SY009897 [0,1,0,0,0,0|1,0,2]=4 62 B15R2.1601 COC(=O)C1=CC2=C(C=C1)C=NC=C2 SY022491 [0,1,0,0,0,0|3,0,0]=4 63 B15R2.1601 COC(=O)C1=CC2=C(C=CC=C2)C=N1 SY018429 [0,1,0,0,0,0|3,0,0]=4 64 B15R2.1601 COC(=O)C1=CC=C2C=CC=CC2=C1 SY078684 [0,1,0,0,0,0|2,0,0]=3 65 B15R2.1601 COC(=O)C1=CC=C2N=CC=CC2=C1 SY003113 [0,1,0,0,0,0|3,0,0]=4 66 B15R2.1601 N[C@@H](CO)C1=CC=C2C=CC=CC2=C1 SY275061 [0,1,0,0,0,0|2,0,0]=3 67 B15R2.1668 CC(=O)NC1=CC=C2C=CC=CC2=C1 SY292704 [0,1,0,0,0,0|1,0,1]=3 68 B15R2.1668 O=C(Cl)OC1=CC=C2C=CC=CC2=C1 SY052421 [0,1,0,0,0,0|1,0,1]=3 69 B15R2.1668 O=C(O)CC1=CC=C2C=CC=CC2=C1 SY005583 [0,1,0,0,0,0|2,0,1]=4 70 B15R2.2220 ClCOC1=C(Br)C2=C(C=CC=C2)C=C1 SY298557 [0,1,0,0,0,0|1,0,0]=2 71 B15R2.10252 ClCOC1=CC2=C(C=C1)C=C(Br)C=C2 SY298501 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SY010778 [0,0,1,0,0,0|1,0,2]=4 73 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 SY013603 [0,0,1,0,0,0|1,0,2]=4 74 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 SY049148 [0,0,1,0,0,0|2,0,1]=4 75 B13R1.42 CCOC(=O)COC1=CC=CC=C1 SY017862 [0,0,1,0,0,0|2,0,1]=4 76 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SY005492 [0,0,1,0,0,0|1,0,0]=2 77 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 SY108025 [0,0,1,0,0,0|2,0,0]=3 78 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 SY125931 [0,0,1,0,0,0|2,0,0]=3 79 B13R1.470 CCOC(=O)CC1=CC=CC=C1C SY048389 [0,0,1,0,0,0|1,0,2]=4 80 B13R1.470 CCOC(=O)CC1=CC=CC=C1Cl SY108409 [0,0,1,0,0,0|2,0,1]=4 81 B15R3.1739 C1=CC2=CC=C3C=COC3=C2C=C1 SY271635 [0,0,0,1,0,0|2,0,1]=4 82 B15R3.31603 C1=CC(C2CC2)=CC3=NC=NC=C13 SY264171 [0,0,0,1,0,0|3,0,0]=4 83 B15R3.31603 C1=CC2=C(C=CC(C3CC3)=C2)C=N1 SY263874 [0,0,0,1,0,0|2,0,0]=3 84 B15R3.31603 C1=CC2=CC(C3CC3)=CC=C2N=C1 SY263877 [0,0,0,1,0,0|2,0,0]=3 85 B15R3.31603 C1=CC2=CC=C(C3CC3)C=C2C=C1 SY263865 [0,0,0,1,0,0|1,0,0]=2 86 B15R3.31603 C1=CC2=CC=C(C3CC3)C=C2N=C1 SY264001 [0,0,0,1,0,0|2,0,0]=3 87 B15R3.31603 C1=CC2=NC=NC=C2C=C1C3CC3 SY264124 [0,0,0,1,0,0|3,0,0]=4 88 B15R3.31603 C1=CC=C2N=C(C3CC3)C=CC2=C1 SY264177 [0,0,0,1,0,0|2,0,0]=3 89 B15R3.31603 C1=NC2=CC=C(C3CC3)C=C2N=C1 SY263856 [0,0,0,1,0,0|3,0,0]=4 90 B13R2.1 C1=CC2=C(C=C1)N(COC)C=C2 SY246280 [0,0,0,0,1,0|3,0,0]=4 91 B13R2.1 NCCC1=CNC2=CC=CC=C12 SY001383 [0,0,0,0,1,0|3,0,0]=4 92 B13R2.1 OCCC1=CNC2=C1C=CC=C2 SY004666 [0,0,0,0,1,0|3,0,0]=4 93 B13R2.1 OCCC1=COC2=CC=CC=C12 SY045627 [0,0,0,0,1,0|3,0,0]=4 94 B13R2.26 CCCC1=NC2=CC=CC=C2N1 SY015986 [0,0,0,0,1,0|3,0,0]=4 95 B13R2.26 CCOC1=NC2=CC=CC=C2N1 SY244449 [0,0,0,0,1,0|2,0,0]=3 96 B12R1.71 C=CCCC1=CC=C(OC)C=C1 SY046756 [1,0,1,0,0,0|0,0,2]=4 97 B12R1.288 CCOC1=CC=C(C=O)C(O)=C1 SY026476 [1,0,1,0,0,0|2,0,0]=4 98 B12R2.24 BrC1=CC2=C(C=C1)C=NC=C2 SY004580 [2,0,0,0,0,0|2,0,0]=4 99 B12R2.24 BrC1=CC2=C(C=CC=C2)C=N1 SY009417 [2,0,0,0,0,0|2,0,0]=4 100 B12R2.24 BrC1=CC2=C(C=CN=C2)C=C1 SY014834 [2,0,0,0,0,0|2,0,0]=4 101 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 SY017164 [2,0,0,0,0,0|2,0,0]=4 102 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 SY004614 [2,0,0,0,0,0|2,0,0]=4 103 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 SY025844 [2,0,0,0,0,0|2,0,0]=4 104 B12R2.24 BrC1=NC2=C(C=CC=C2)C=C1 SY019854 [2,0,0,0,0,0|2,0,0]=4 105 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 SY017397 [2,0,0,0,0,0|2,0,0]=4 106 B12R2.24 CC1=CC2=CC=CC=C2N=C1 SY048469 [2,0,0,0,0,0|1,0,0]=3 107 B12R2.24 CC1=NC2=CC=CN=C2C=C1 SY098561 [2,0,0,0,0,0|2,0,0]=4 108 B12R2.24 CC1=NC2=NC=CC=C2C=C1 SY017550 [2,0,0,0,0,0|2,0,0]=4 109 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 SY005184 [2,0,0,0,0,0|2,0,0]=4 110 B12R2.24 ClC1=CC2=C(C=CC=N2)C=C1 SY021162 [2,0,0,0,0,0|2,0,0]=4 111 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 SY065588 [2,0,0,0,0,0|2,0,0]=4 112 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 SY021114 [2,0,0,0,0,0|2,0,0]=4 113 B12R2.24 ClC1=CC=C2C=CC=CC2=C1 SY055345 [2,0,0,0,0,0|1,0,0]=3 114 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 SY021135 [2,0,0,0,0,0|2,0,0]=4 115 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 SY021132 [2,0,0,0,0,0|2,0,0]=4 116 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 SY001152 [2,0,0,0,0,0|2,0,0]=4 117 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 SY004609 [2,0,0,0,0,0|2,0,0]=4 118 B12R2.24 FC1=CC2=CC=CC=C2N=C1 SY260141 [2,0,0,0,0,0|2,0,0]=4 119 B12R2.24 IC1=CC2=CC=CC=C2N=C1 SY191981 [2,0,0,0,0,0|2,0,0]=4 120 B12R2.24 IC1=CC=C2C=CC=CC2=C1 SY103936 [2,0,0,0,0,0|1,0,0]=3 121 B12R2.24 IC1=CC=C2N=CC=CC2=C1 SY030914 [2,0,0,0,0,0|2,0,0]=4 122 B12R2.24 NC1=CC2=C(C=C1)C=NC=C2 SY021134 [2,0,0,0,0,0|2,0,0]=4 123 B12R2.24 NC1=CC2=C(C=C1)N=CC=C2 SY021131 [2,0,0,0,0,0|2,0,0]=4 124 B12R2.24 NC1=CC2=C(C=CC=C2)C=N1 SY030951 [2,0,0,0,0,0|2,0,0]=4 125 B12R2.24 NC1=CC2=C(C=CC=N2)C=C1 SY021315 [2,0,0,0,0,0|2,0,0]=4 126 B12R2.24 NC1=CC2=C(C=CN=C2)C=C1 SY020017 [2,0,0,0,0,0|2,0,0]=4 127 B12R2.24 NC1=CC=C2C=CC=NC2=C1 SY021164 [2,0,0,0,0,0|2,0,0]=4 128 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 SY020019 [2,0,0,0,0,0|1,0,0]=3 129 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 SY009024 [2,0,0,0,0,0|1,0,0]=3 130 B12R2.24 OC1=CC2=CC=CC=C2C=N1 SY005563 [2,0,0,0,0,0|1,0,0]=3 131 B12R2.24 OC1=CC=C2C=CC=NC2=C1 SY025837 [2,0,0,0,0,0|1,0,0]=3 132 B12R2.24 OC1=CC=C2C=CN=CC2=C1 SY020018 [2,0,0,0,0,0|1,0,0]=3 133 B12R2.24 OC1=CC=C2N=CC=CC2=C1 SY003116 [2,0,0,0,0,0|1,0,0]=3 134 B12R2.24 OC1=CC=C2N=CC=NC2=C1 SY046618 [2,0,0,0,0,0|2,0,0]=4 135 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 SY003693 [2,0,0,0,0,0|1,0,0]=3 136 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 SY013680 [2,0,0,0,0,0|2,0,0]=4 137 B12R2.24 OC1=NC2=CC=CN=C2C=C1 SY116568 [2,0,0,0,0,0|2,0,0]=4 138 B12R2.24 [O-][N+]1=CC=C2C=CC=CC2=C1 SY024667 [2,0,0,0,0,0|1,0,1]=4 139 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 SY066078 [0,1,1,0,0,0|1,0,0]=3 140 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 SY265033 [0,1,1,0,0,0|1,0,1]=4 141 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 SY011940 [0,1,1,0,0,0|1,0,0]=3 142 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 SY074408 [0,1,1,0,0,0|1,0,0]=3 143 B14R1.598 CCOC(=O)\C=C\C1=C(N)C=CN=C1 SY232332 [0,1,1,0,0,0|2,0,0]=4 144 B14R1.3348 CCOC(=O)C(=O)C1=CC=CC=C1Cl SY034336 [0,1,1,0,0,0|2,0,0]=4 145 B14R1.3348 CCOC(=O)C(=O)C1=CC=CC=C1F SY032594 [0,1,1,0,0,0|2,0,0]=4 146 B14R2.92 COC1=CC=C2C=CC=CC2=C1Br SY037749 [1,1,0,0,0,0|0,0,0]=2 147 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br SY021165 [1,1,0,0,0,0|1,0,0]=3 148 B14R2.92 N#CC1=CC=C2C=CC=CC2=C1N SY109208 [1,1,0,0,0,0|1,0,1]=4 149 B14R2.92 NC1=C2C=CC=CC2=CC=C1CO SY129214 [1,1,0,0,0,0|1,0,0]=3 150 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1Br SY052201 [1,1,0,0,0,0|1,0,1]=4 151 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1F SY038081 [1,1,0,0,0,0|1,0,1]=4 152 B14R2.134 CC1=CC2=CC(C#N)=CC=C2C=C1 SY027160 [1,1,0,0,0,0|1,0,1]=4 153 B14R2.134 COC1=CC2=C(C=C1)C=NC(Cl)=C2 SY221785 [1,1,0,0,0,0|1,0,0]=3 154 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=C1 SY027765 [1,1,0,0,0,0|0,0,0]=2 155 B14R2.134 COC1=CC2=CC(N)=CC=C2N=C1 SY265402 [1,1,0,0,0,0|1,0,0]=3 156 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 SY063965 [1,1,0,0,0,0|0,0,0]=2 157 B14R2.134 COC1=CC=C2C=CC(C)=CC2=C1 SY027767 [1,1,0,0,0,0|0,0,0]=2 158 B14R2.134 COC1=CC=C2C=CC(C)=NC2=C1 SY037169 [1,1,0,0,0,0|1,0,0]=3 159 B14R2.134 COC1=CC=C2N=CC(N)=CC2=C1 SY240305 [1,1,0,0,0,0|1,0,0]=3 160 B14R2.134 COC1=NC2=CC(N)=CC=C2C=C1 SY121191 [1,1,0,0,0,0|1,0,0]=3 161 B14R2.134 O=C1C=CC2=C(C=C(CBr)C=C2)N1 SY295228 [1,1,0,0,0,0|2,0,0]=4 162 B14R2.142 COC1=CC2=C(Br)C=CC=C2N=C1 SY248854 [1,1,0,0,0,0|1,0,0]=3 163 B14R2.142 COC1=CC2=C(C=C1)N=CN=C2Cl SY013862 [1,1,0,0,0,0|2,0,0]=4 164 B14R2.142 COC1=CC2=C(N)C=CC=C2N=C1 SY271600 [1,1,0,0,0,0|1,0,0]=3 165 B14R2.142 COC1=CC=C2N=CC=C(Br)C2=C1 SY101760 [1,1,0,0,0,0|1,0,0]=3 166 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 SY003956 [1,1,0,0,0,0|1,0,0]=3 167 B14R2.142 COC1=NC2=C(Cl)C=CN=C2C=C1 SY104955 [1,1,0,0,0,0|2,0,0]=4 168 B14R2.781 BrC(Br)C1=CC=C2C=CC=CC2=C1 SY273535 [1,1,0,0,0,0|1,0,0]=3 169 B14R2.781 CC(=O)C1=CC2=C(C=C1)N=CC=C2 SY006186 [1,1,0,0,0,0|1,0,1]=4 170 B14R2.781 CC(=O)C1=CN=C2C=CC=CC2=C1 SY011820 [1,1,0,0,0,0|1,0,1]=4 171 B14R2.781 CC(O)C1=CC=C2C=CC=NC2=C1 SY281517 [1,1,0,0,0,0|1,0,0]=3 172 B14R2.781 C[C@@H](N)C1=CC=C2C=CC=CC2=C1 SY097369 [1,1,0,0,0,0|0,0,0]=2 173 B14R2.781 C[C@H](N)C1=CC=C2C=CC=CC2=C1 SY109489 [1,1,0,0,0,0|0,0,0]=2 174 B14R2.781 FC(F)C1=CC2=CC=CC=C2N=C1 SY198514 [1,1,0,0,0,0|2,0,0]=4 175 B14R2.781 FC(F)C1=CC=C2C=CC=CC2=C1 SY265766 [1,1,0,0,0,0|1,0,0]=3 176 B14R2.781 FC(F)C1=CC=C2N=CC=CC2=C1 SY265773 [1,1,0,0,0,0|2,0,0]=4 177 B14R2.781 FC(F)C1=NC2=CC=CC=C2C=C1 SY265869 [1,1,0,0,0,0|2,0,0]=4 178 B14R2.781 NC(=O)C1=CC=C2C=CC=CC2=C1 SY109446 [1,1,0,0,0,0|1,0,1]=4 179 B14R2.781 OB(O)C1=CC=C2C=CC=CC2=C1 SY004747 [1,1,0,0,0,0|2,0,0]=4 180 B14R2.1019 COC1=CC(Br)=C2C=CC=NC2=C1 SY253670 [1,1,0,0,0,0|1,0,0]=3 181 B14R2.1019 COC1=CC(Br)=C2N=CC=CC2=C1 SY265508 [1,1,0,0,0,0|1,0,0]=3 182 B14R2.1128 COC1=C(Br)C=C2C=CC=NC2=C1 SY260171 [1,1,0,0,0,0|1,0,0]=3 183 B14R2.1128 COC1=C(C)C=C2C=CC=NC2=C1 SY030009 [1,1,0,0,0,0|1,0,0]=3 184 B14R2.1128 COC1=C(N)C=C2C=CC=NC2=C1 SY244446 [1,1,0,0,0,0|1,0,0]=3 185 B14R2.1128 ClCC1=CC2=C(C=CC=C2)N=C1Cl SY019483 [1,1,0,0,0,0|2,0,0]=4 186 B14R2.1128 N#CC1=C(O)C=C2C=CC=CC2=C1 SY028476 [1,1,0,0,0,0|1,0,1]=4 187 B14R2.1128 NCC1=C(O)C=C2C=CC=CC2=C1 SY027128 [1,1,0,0,0,0|1,0,0]=3 188 B14R2.1128 O=CC1=C(F)C=C2C=CC=CC2=C1 SY275318 [1,1,0,0,0,0|1,0,1]=4 189 B14R2.1128 O=CC1=C(O)C=C2C=CC=CC2=C1 SY028654 [1,1,0,0,0,0|1,0,1]=4 190 B14R2.1128 OCC1=C(F)C=C2C=CC=CC2=C1 SY280119 [1,1,0,0,0,0|1,0,0]=3 191 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NC=C2 SY030066 [1,1,0,0,0,0|1,0,0]=3 192 B14R2.1801 COC1=CC2=C(C=C1)C(Cl)=NC=C2 SY003965 [1,1,0,0,0,0|1,0,0]=3 193 B14R2.1801 COC1=CC2=C(C=C1)C(Cl)=NC=N2 SY013947 [1,1,0,0,0,0|2,0,0]=4 194 B14R2.1801 COC1=CC2=CC=CC(O)=C2C=C1 SY102964 [1,1,0,0,0,0|0,0,0]=2 195 B14R2.1801 COC1=CC=C2C(C)=CC=NC2=C1 SY024005 [1,1,0,0,0,0|1,0,0]=3 196 B14R2.1801 COC1=CC=C2C(Cl)=CC=NC2=C1 SY003966 [1,1,0,0,0,0|1,0,0]=3 197 B14R2.1801 COC1=CC=C2C(N)=CC=NC2=C1 SY227414 [1,1,0,0,0,0|1,0,0]=3 198 B14R2.1801 COC1=CC=C2C(O)=CC=NC2=C1 SY004730 [1,1,0,0,0,0|1,0,0]=3 199 B14R2.1801 COC1=CC=C2C(O)=CC=NC2=C1 SY276702 [1,1,0,0,0,0|1,0,0]=3 200 B14R2.1801 COC1=CN=C2C(O)=CC=NC2=C1 SY273294 [1,1,0,0,0,0|2,0,0]=4 201 B14R2.1801 ClC1=NC=CC2=C1C=CC(CBr)=C2 SY275286 [1,1,0,0,0,0|2,0,0]=4 202 B14R2.1801 FC1=C2C=CC(CBr)=CC2=CC=C1 SY274671 [1,1,0,0,0,0|1,0,0]=3 203 B14R2.1801 O=C1NC=CC2=C1C=CC(CO)=C2 SY292023 [1,1,0,0,0,0|2,0,0]=4 204 B14R2.1801 O=CC1=CC=C2C(F)=CC=CC2=C1 SY274272 [1,1,0,0,0,0|1,0,1]=4 205 B14R2.2332 CC1=NC2=CC=C(CO)C=C2C=C1 SY023406 [1,1,0,0,0,0|2,0,0]=4 206 B14R2.2332 COC1=CC2=C(C=C1)C=C(Br)C=C2 SY011231 [1,1,0,0,0,0|0,0,0]=2 207 B14R2.2332 COC1=CC2=C(C=C1)C=C(Cl)N=C2 SY262988 [1,1,0,0,0,0|1,0,0]=3 208 B14R2.2332 COC1=CC2=C(C=N1)C=C(Br)C=C2 SY068119 [1,1,0,0,0,0|1,0,0]=3 209 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 SY102105 [1,1,0,0,0,0|0,0,0]=2 210 B14R2.2332 COC1=CC2=CN=C(Br)N=C2C=C1 SY297716 [1,1,0,0,0,0|2,0,0]=4 211 B14R2.2332 COC1=CC2=CN=C(Cl)N=C2C=C1 SY242086 [1,1,0,0,0,0|2,0,0]=4 212 B14R2.2332 COC1=CC2=CN=C(N)N=C2C=C1 SY224215 [1,1,0,0,0,0|2,0,0]=4 213 B14R2.2332 COC1=CC=C2C=C(Br)C=NC2=C1 SY108754 [1,1,0,0,0,0|1,0,0]=3 214 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=C1 SY101758 [1,1,0,0,0,0|1,0,0]=3 215 B14R2.2332 COC1=NC2=CC=C(Br)C=C2C=C1 SY065637 [1,1,0,0,0,0|1,0,0]=3 216 B14R2.2332 N#CC1=CC=C2C=C(Br)C=CC2=C1 SY243675 [1,1,0,0,0,0|1,0,1]=4 217 B14R2.2332 O=C1C=CC2=C(C=CC(CBr)=C2)N1 SY295227 [1,1,0,0,0,0|2,0,0]=4 218 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 SY014307 [1,1,0,0,0,0|1,0,1]=4 219 B14R2.2332 O=CC1=CC=C2C=C(Br)C=CC2=C1 SY051412 [1,1,0,0,0,0|1,0,1]=4 220 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 SY059874 [0,1,0,0,1,0|1,0,1]=4 221 B14R2.2 CC(=O)OC1=COC2=CC=CC=C21 SY253154 [0,1,0,0,1,0|1,0,1]=4 222 B14R2.2 CC(=O)OC1=CSC2=CC=CC=C12 SY253153 [0,1,0,0,1,0|1,0,1]=4 223 B14R2.3 NCCCC1=CNC2=C1C=CC=C2 SY042804 [0,1,0,0,1,0|2,0,0]=4 224 B14R2.475 CCOC1=CC=C2OCC(=O)C2=C1 SY058358 [0,1,0,0,1,0|1,0,1]=4 225 B16R2.477 O=C(O)CCC1=CC=C2C=CC=CC2=C1 SY022237 [0,2,0,0,0,0|1,0,1]=4 226 B16R2.767 CCOC(=O)C1=CC2=C(C=C1)C=NC=C2 SY022492 [0,2,0,0,0,0|1,0,0]=3 227 B16R2.767 CCOC(=O)C1=CC2=C(C=C1)N=CC=C2 SY016103 [0,2,0,0,0,0|1,0,0]=3 228 B16R2.767 CCOC(=O)C1=CC2=C(C=CC=C2)C=N1 SY023234 [0,2,0,0,0,0|1,0,0]=3 229 B16R2.767 CCOC(=O)C1=CC=C2N=CC=NC2=C1 SY039602 [0,2,0,0,0,0|2,0,0]=4 230 B16R2.767 CCOC(=O)C1=NC2=CC=CC=C2C=C1 SY034371 [0,2,0,0,0,0|1,0,0]=3 231 B16R2.767 N#CCC(=O)C1=CC=C2C=CC=CC2=C1 SY092780 [0,2,0,0,0,0|1,0,1]=4 232 B16R2.1054 CCCCC1=CC(Cl)=C2C=CC=CC2=N1 SY017127 [0,2,0,0,0,0|2,0,0]=4 233 B16R2.1054 COCOC1=CC(Br)=C2C=CC=CC2=C1 SY263574 [0,2,0,0,0,0|0,0,0]=2 234 B16R2.1285 NCCOC1=CC2=C(C=CC(=O)O2)C=C1 SY224197 [0,2,0,0,0,0|1,0,0]=3 235 B16R2.1285 NCCOC1=CC2=C(C=CC(=O)O2)C=C1 SY224725 [0,2,0,0,0,0|1,0,0]=3 236 B16R2.24933 CC(=O)SC1=CC(O)=C2C=CC=CC2=C1 SY096749 [0,2,0,0,0,0|0,1,1]=4 237 B16R2.33941 COC(=O)C1=C(F)C=C2C=CC=CC2=C1 SY034650 [0,2,0,0,0,0|2,0,0]=4 238 B16R2.33941 COC(=O)C1=C(N)C=C2C=CC=CC2=C1 SY178120 [0,2,0,0,0,0|2,0,0]=4 239 B16R2.11975 O=C(Cl)OC1=CC=C2C=CC(Br)=CC2=C1 SY296906 [0,2,0,0,0,0|1,0,1]=4 240 B16R2.1212 COC(=O)C1=CC=C2C=CC=C(N)C2=C1 SY273139 [0,2,0,0,0,0|2,0,0]=4 241 B16R2.33799 COC(=O)C1=CC2=C(C=C1)C=C(Br)C=C2 SY007269 [0,2,0,0,0,0|2,0,0]=4 242 B16R2.33799 COC(=O)C1=CC=C2C=C(N)C=CC2=C1 SY054417 [0,2,0,0,0,0|2,0,0]=4 243 B16R2.173132 COC(=O)C1=CC=C2C(N)=CC=CC2=C1 SY273140 [0,2,0,0,0,0|2,0,0]=4 244 B16R2.11988 CC(=O)NC1=CC2=C(C=C1)C=C(Br)C=C2 SY057570 [0,2,0,0,0,0|1,0,1]=4 245 B16R2.11988 O=C(Cl)OC1=CC=C2C=C(Br)C=CC2=C1 SY296964 [0,2,0,0,0,0|1,0,1]=4 246 B16R2.22859 CC(C)CC1=CC2=C(C=C1)C(=O)NC=C2 SY286715 [0,2,0,0,0,0|2,0,0]=4 247 B16R2.22859 CC(C)CC1=CC2=C(C=C1)C(Cl)=NC=C2 SY284384 [0,2,0,0,0,0|2,0,0]=4 248 B16R2.82802 CC(C)(C)OC1=CC=C2C=CC=CC2=C1 SY298942 [0,2,0,0,0,0|0,0,0]=2 249 B16R2.82802 CC(C)(N)CC1=CC=C2C=CC=CC2=C1 SY102450 [0,2,0,0,0,0|1,0,0]=3 250 B16R2.83538 O=C(Cl)OC1=CC=C2C=CC=CC2=C1Br SY297059 [0,2,0,0,0,0|1,0,1]=4 251 B14R2.7150 CNCC1=C2C=CC=CC2=CC=C1 SY036923 [0,0,1,1,0,0|2,0,0]=4 252 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 SY017660 [0,0,1,1,0,0|2,0,0]=4 253 B14R2.7150 ClCOC1=C2C=CC=CC2=CC=C1 SY298325 [0,0,1,1,0,0|1,0,0]=3 254 B14R2.7150 OCCC1=CC=CC2=CC=CC=C21 SY020508 [0,0,1,1,0,0|2,0,0]=4 255 B14R3.164 C1=CC2=C3C(=C1)C=CN3CCC2 SY024437 [0,0,0,1,1,0|2,0,0]=4 256 B14R3.3015 C1=CC2=C(C=C(C3CC3)C=C2)N1 SY263871 [0,0,0,1,1,0|2,0,0]=4 257 B14R3.3015 C1=CC2=CC(C3CC3)=CC=C2O1 SY263863 [0,0,0,1,1,0|2,0,0]=4 258 B14R3.3022 C1=CC2=C(C=C3OCOC3=C2)N1 SY114627 [0,0,0,1,1,0|2,0,0]=4 259 B16R3.9 C1=CC=C2C(=C1)N=CC3=C2OCCN3 SY130757 [0,1,0,1,0,0|2,0,0]=4 260 B16R3.17392 ClC1=NOC2=CC=C3C=CC=CC3=C21 SY280793 [0,1,0,1,0,0|1,0,1]=4 261 B16R3.17392 O=C1CCC2=C1C3=CC=CC=C3C=C2 SY017430 [0,1,0,1,0,0|1,0,1]=4 262 B16R3.17392 O=C1NOC2=CC=C3C=CC=CC3=C12 SY280792 [0,1,0,1,0,0|1,0,1]=4 263 B16R3.17428 ClC1=NOC2=CC3=CC=CC=C3C=C21 SY280826 [0,1,0,1,0,0|1,0,1]=4 264 B16R3.17428 O=C1COC2=CC3=CC=CC=C3C=C12 SY058309 [0,1,0,1,0,0|0,0,1]=3 265 B16R3.17428 O=C1NOC2=CC3=CC=CC=C3C=C12 SY280825 [0,1,0,1,0,0|1,0,1]=4 266 B16R3.275899 C1=CC2=C(C=C1)C=C(C3CNC3)N=C2 SY267605 [0,1,0,1,0,0|2,0,0]=4 267 B16R3.275899 C1=CC2=C(C=C1)C=C(C3CNC3)N=C2 SY267606 [0,1,0,1,0,0|2,0,0]=4 268 B16R3.275899 C1=CC2=C(C=CC(C3CNC3)=C2)C=N1 SY267227 [0,1,0,1,0,0|2,0,0]=4 269 B16R3.275899 C1=CC2=C(C=CC(C3CNC3)=C2)C=N1 SY267228 [0,1,0,1,0,0|2,0,0]=4 270 B16R3.275899 C1=CC2=CC(C3CNC3)=CC=C2N=C1 SY267229 [0,1,0,1,0,0|2,0,0]=4 271 B16R3.275899 C1=CC2=CC(C3CNC3)=CC=C2N=C1 SY267230 [0,1,0,1,0,0|2,0,0]=4 272 B16R3.275899 C1=CC2=CC=C(C3CNC3)C=C2C=C1 SY267217 [0,1,0,1,0,0|1,0,0]=3 273 B16R3.275899 C1=CC2=CC=C(C3CNC3)C=C2C=C1 SY267218 [0,1,0,1,0,0|1,0,0]=3 274 B16R3.275899 C1=CC2=CC=C(C3CNC3)C=C2N=C1 SY267327 [0,1,0,1,0,0|2,0,0]=4 275 B16R3.275899 C1=CC2=CC=C(C3CNC3)C=C2N=C1 SY267328 [0,1,0,1,0,0|2,0,0]=4 276 B16R3.275899 C1=CC=C2N=C(C3CNC3)C=CC2=C1 SY267191 [0,1,0,1,0,0|2,0,0]=4 277 B16R3.275899 C1=CC=C2N=C(C3CNC3)C=CC2=C1 SY267192 [0,1,0,1,0,0|2,0,0]=4 278 B16R3.275899 C1=CC=C2N=CC(C3CNC3)=CC2=C1 SY267552 [0,1,0,1,0,0|2,0,0]=4 279 B16R3.275899 C1=CC=C2N=CC(C3CNC3)=CC2=C1 SY267553 [0,1,0,1,0,0|2,0,0]=4 280 B16R3.2754 NC1=C2CCCC2=NC3=CC=CC=C31 SY022025 [0,1,0,1,0,0|2,0,0]=4 281 B16R3.13490 ClC1=C2N=CC=CC2=C3CCOC3=N1 SY279561 [0,1,0,1,0,0|2,0,0]=4 282 B16R3.3492 FC1=C(C2CC2)C=C3C=CC=NC3=C1 SY263908 [0,1,0,1,0,0|2,0,0]=4 283 B16R3.10767 NC1=CC2=C(C=CC(C3CC3)=C2)C=N1 SY264136 [0,1,0,1,0,0|2,0,0]=4 284 B16R3.2620 O=C1COC2=C3C=CC=CC3=CC=C12 SY058315 [0,1,0,1,0,0|2,0,0]=4 285 B16R3.11647 NC1(C2=CC=C3C=CC=CC3=C2)CC1 SY225795 [0,1,0,1,0,0|1,0,0]=3 286 B16R3.96480 CC1=NC2=CC=C(C3CC3)C=C2C=C1 SY264004 [0,1,0,1,0,0|2,0,0]=4 287 B16R3.96480 NC1=CC=C2C=C(C3CC3)C=CC2=C1 SY264132 [0,1,0,1,0,0|1,0,0]=3 288 B12R1.308 CCOC(=N)C1=CC=CC=C1F SY129446 [0,0,1,0,1,0|2,0,0]=4 289 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 SY003267 [0,0,1,0,1,0|2,0,0]=4 290 B12R1.308 CCOC(=O)C1=CC=CC=C1Br SY004041 [0,0,1,0,1,0|2,0,0]=4 291 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl SY048209 [0,0,1,0,1,0|2,0,0]=4 292 B12R1.308 CCOC(=O)C1=CC=CC=C1I SY037880 [0,0,1,0,1,0|2,0,0]=4 293 B12R2.1 ClCC1=COC2=CC=CC=C12 SY045686 [1,0,0,0,1,0|2,0,0]=4 294 B12R2.1 NCC1=CNC2=C1C=CC=C2 SY026632 [1,0,0,0,1,0|2,0,0]=4 295 B12R2.1 NCC1=COC2=CC=CC=C12 SY026635 [1,0,0,0,1,0|2,0,0]=4 296 B12R2.1 NCC1=CSC2=CC=CC=C12 SY027010 [1,0,0,0,1,0|2,0,0]=4 297 B12R2.1 OCC1=CNC2=C1C=CC=C2 SY015976 [1,0,0,0,1,0|2,0,0]=4 298 B12R2.1 OCC1=COC2=CC=CC=C12 SY045671 [1,0,0,0,1,0|2,0,0]=4 299 B12R2.32 BrCC1=CC2=C(C=CC=C2)N1 SY268421 [1,0,0,0,1,0|2,0,0]=4 300 B12R2.32 BrCC1=CC2=CC=CC=C2O1 SY045637 [1,0,0,0,1,0|2,0,0]=4 301 B12R2.32 CCC1=CC2=CC=CC=C2O1 SY067362 [1,0,0,0,1,0|1,0,0]=3 302 B12R2.32 CCC1=NC2=CC=CC=C2N1 SY015992 [1,0,0,0,1,0|2,0,0]=4 303 B12R2.32 ClCC1=CC2=CC=CC=C2O1 SY045662 [1,0,0,0,1,0|2,0,0]=4 304 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 SY026631 [1,0,0,0,1,0|2,0,0]=4 305 B12R2.32 NCC1=CC2=CC=CC=C2O1 SY026572 [1,0,0,0,1,0|2,0,0]=4 306 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 SY045599 [1,0,0,0,1,0|2,0,0]=4 307 B12R2.32 OCC1=CC2=CC=CC=C2O1 SY122875 [1,0,0,0,1,0|2,0,0]=4 308 B12R2.32 OCC1=CC2=CC=CC=C2S1 SY021579 [1,0,0,0,1,0|2,0,0]=4 309 B12R2.44 BrCC1=CC=C2OC=CC2=C1 SY029071 [1,0,0,0,1,0|2,0,0]=4 310 B12R2.44 COC1=CC2=C(C=C1)C=NN2 SY004109 [1,0,0,0,1,0|2,0,0]=4 311 B12R2.44 COC1=CC2=C(C=C1)NC=C2 SY004368 [1,0,0,0,1,0|1,0,0]=3 312 B12R2.44 COC1=CC2=C(C=C1)NN=C2 SY020404 [1,0,0,0,1,0|2,0,0]=4 313 B12R2.44 COC1=CC2=C(C=CN2)C=C1 SY001985 [1,0,0,0,1,0|1,0,0]=3 314 B12R2.44 COC1=CC=C2C=CSC2=C1 SY122383 [1,0,0,0,1,0|1,0,0]=3 315 B12R2.44 COC1=CC=C2N=CSC2=C1 SY019451 [1,0,0,0,1,0|2,0,0]=4 316 B12R2.44 COC1=CC=C2NC=NC2=C1 SY042564 [1,0,0,0,1,0|2,0,0]=4 317 B12R2.44 COC1=CC=C2OC=CC2=C1 SY032575 [1,0,0,0,1,0|1,0,0]=3 318 B12R2.44 COC1=CC=C2OC=NC2=C1 SY129978 [1,0,0,0,1,0|2,0,0]=4 319 B12R2.44 COC1=NC=C2NC=CC2=C1 SY097505 [1,0,0,0,1,0|2,0,0]=4 320 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 SY026890 [1,0,0,0,1,0|2,0,0]=4 321 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 SY034713 [1,0,0,0,1,0|2,0,0]=4 322 B12R2.44 NCC1=CC=C2OC=CC2=C1 SY027400 [1,0,0,0,1,0|2,0,0]=4