0 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)C=C1O 67213 [0,0,0,0,0,0|0,1,0]=1 1 B14R2.8239 O=C1NC2=C(C=C(Cl)C=C2)C=C1O 67214 [0,0,0,0,0,0|0,0,0]=0 2 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 O10697 [1,0,0,0,0,0|2,1,0]=4 3 B13R2.155 CC1=CC=C2N=CC(Br)=CC2=C1 84135 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.155 CC1=CC=C2N=CC(O)=CC2=C1 A10636 [1,0,0,0,0,0|1,0,1]=3 5 B13R2.155 ClC1=CC=C2C=CC(Cl)=NC2=C1 80787 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.155 ClC1=CN=C2C=CC(Cl)=NC2=C1 91728 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.155 NC1=CC=C2N=CC(I)=CC2=C1 D74425 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.155 NC1=CC=C2N=CC(O)=CC2=C1 33324 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.155 NC1=NC=C2C=CC(O)=CC2=C1 68526 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=N1 C73013 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.155 OC1=CC=C2N=CC(Cl)=CC2=C1 80398 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I F30333 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [1,0,0,0,0,0|1,0,0]=2 14 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br 94406 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.369 C[C@@H]1SC2=C(C=CC=C2)NC1=O 77381 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Br D84301 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl 26652 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.369 OC1=CC2=NC=CC=C2C=C1Br K10294 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CO2 AC6060 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)N=C2 F15802 [1,0,0,0,0,0|2,0,0]=3 23 B13R2.3683 CC1=CC=C2C=C(Br)C=CC2=C1 D78656 [1,0,0,0,0,0|2,1,0]=4 24 B13R2.3683 CC1=CC=C2C=C(Cl)N=CC2=C1 W16225 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.3683 CC1=NC=C2C=C(Cl)C=CC2=N1 91919 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 P10166 [1,0,0,0,0,0|1,0,0]=2 27 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)OC2 AC7323 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=N1 S11534 [1,0,0,0,0,0|1,1,1]=4 29 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 C72558 [1,0,0,0,0,0|2,1,0]=4 30 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 AT25693 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.3683 O=C1C=CN2N=C(Cl)C=CC2=N1 O11645 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.3683 O=C1CNC2=C(C=CC(Cl)=N2)N1 97254 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 25433 [1,0,0,0,0,0|1,1,1]=4 34 B13R2.3683 O=C1N=CC2=C(C=CC(Cl)=C2)N1 F15803 [1,0,0,0,0,0|1,0,0]=2 35 B13R2.3683 O=C1N=CC2=C(C=CC(F)=C2)N1 F15804 [1,0,0,0,0,0|1,1,0]=3 36 B13R2.3683 O=C1NC2=C(C=C(F)C=C2)CO1 AC4756 [1,0,0,0,0,0|1,1,1]=4 37 B13R2.3683 O=C1NC2=C(C=C(I)C=C2)CO1 AC5099 [1,0,0,0,0,0|1,1,1]=4 38 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=N1 F18811 [1,0,0,0,0,0|0,1,2]=4 39 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=C1 33310 [1,0,0,0,0,0|2,0,1]=4 40 B15R2.1824 CC1=CC2=C(C=C1)NC(=O)C(C=O)=C2 52377 [0,1,0,0,0,0|1,0,1]=3 41 B15R2.1824 COC1=CC2=C(C=CC(Br)=C2)NC1=O 87956 [0,1,0,0,0,0|0,1,0]=2 42 B15R2.1824 N#CC1=CC2=C(C=CC(Br)=C2)OC1=O 95284 [0,1,0,0,0,0|2,1,0]=4 43 B15R2.1824 N#CC1=CC2=C(C=CC(Cl)=C2)OC1=O 97145 [0,1,0,0,0,0|2,0,0]=3 44 B15R2.1824 N#CC1=CC2=C(C=CC(F)=C2)OC1=O 95285 [0,1,0,0,0,0|2,1,0]=4 45 B15R2.1824 O=CC1=CC2=CC(Cl)=CC=C2N=C1Cl 54762 [0,1,0,0,0,0|1,0,2]=4 46 B15R2.13982 CC1(C)OC2=C(C=CC(Cl)=C2)NC1=O AC3453 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.133 CC1=CC=C(CC(=O)C(=O)O)C=C1 C91147 [0,0,1,0,0,0|3,0,0]=4 48 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 57696 [0,0,1,0,0,0|2,0,0]=3 49 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 C91153 [0,0,1,0,0,0|1,0,2]=4 50 B13R1.2679 C=CC(=O)NC1=C(F)C=C(Br)C=C1 N11741 [0,0,1,0,0,0|2,1,0]=4 51 B13R1.2679 CC1=C(NC(=O)CCl)C=CC(Cl)=C1 F50777 [0,0,1,0,0,0|1,0,2]=4 52 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)[C@H]2N W10170 [0,0,0,0,1,0|2,0,1]=4 53 B13R2.3028 CN1C(=O)NC2=C1C=C(F)C=C2 96196 [0,0,0,0,1,0|2,1,0]=4 54 B13R2.3028 CN1C(=O)NC2=C1N=C(Cl)C=C2 91315 [0,0,0,0,1,0|3,0,0]=4 55 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(I)C=C2 F30779 [0,0,0,0,1,0|1,1,1]=4 56 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(O)C=C2 71575 [0,0,0,0,1,0|2,0,1]=4 57 B13R2.5190 C[C@H]1CC2=C(C=CC(Cl)=C2)C1=O N13213 [0,0,0,0,1,0|1,0,2]=4 58 B13R2.5190 O=C1NC2=C(C=CC(Cl)=N2)C1=O C92860 [0,0,0,0,1,0|2,0,1]=4 59 B15R2.62000 C[C@H]1CNC2=C(C=CC(Cl)=C2)NC1=O VT1300 [0,0,0,0,0,1|1,0,2]=4 60 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [1,0,1,0,0,0|0,0,2]=4 61 B12R1.49 C=CC(=O)NC1=CC=C(C)C=C1 N11698 [1,0,1,0,0,0|1,0,0]=3 62 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [1,0,1,0,0,0|0,0,2]=4 63 B12R1.371 C=CC(=O)NC1=C(Cl)C=CC=C1 N11716 [1,0,1,0,0,0|2,0,0]=4 64 B12R2.24 NC1=CC=C2N=CC=CC2=C1 F19169 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [2,0,0,0,0,0|1,0,0]=3 66 B12R2.24 O=C1C=NC2=C(C=CC=N2)N1 F14289 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [2,0,0,0,0,0|1,0,0]=3 68 B12R2.24 O=C1N=CC2=C(N=CC=C2)N1 90179 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [2,0,0,0,0,0|1,0,1]=4 70 B14R2.134 COC1=CC=C2C=CC(F)=CC2=C1 N14594 [1,1,0,0,0,0|1,1,0]=4 71 B14R2.134 COC1=CC=C2C=NC(Cl)=CC2=C1 79131 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.134 COC1=CN=C2C=CC(Br)=CC2=C1 C71683 [1,1,0,0,0,0|0,1,1]=4 73 B14R2.4513 NC1=COC2=C(C=C(Cl)C=C2)C1=O 50136 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.4513 O=C1C(Br)=COC2=C1C=C(Cl)C=C2 T71277 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.1128 CC1=CC2=CC=CC=C2N=C1C=O 71782 [1,1,0,0,0,0|1,0,1]=4 76 B14R2.1128 COC1=CC2=CC=CC=C2N=C1Br 83952 [1,1,0,0,0,0|1,0,1]=4 77 B14R2.1128 N#CC1=CC2=C(C=CC=C2)NC1=O AT16002 [1,1,0,0,0,0|1,0,0]=3 78 B14R2.1128 NC1=CC2=CC=CC=C2C=C1C=O F15847 [1,1,0,0,0,0|2,0,0]=4 79 B14R2.1128 NCC1=CC2=CC=CC=C2C=C1O 32437 [1,1,0,0,0,0|2,0,0]=4 80 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O 71230 [1,1,0,0,0,0|0,0,1]=3 81 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Br AT13206 [1,1,0,0,0,0|1,0,1]=4 82 B14R2.8188 CC1=CC2=C(C=CC=C2)N(C)C1=O 58047 [1,1,0,0,0,0|1,0,0]=3 83 B14R2.8188 CN1C(=O)C(Br)=CC2=C1C=CC=C2 D77883 [1,1,0,0,0,0|1,0,0]=3 84 B14R2.28472 CC1=C(O)C=C2C=CC=C(F)C2=N1 95153 [1,1,0,0,0,0|1,0,1]=4 85 B14R2.28472 NC1=NC2=C(C=CC=C2O)NC1=O F14454 [1,1,0,0,0,0|2,0,0]=4 86 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1O 87959 [1,1,0,0,0,0|0,0,0]=2 87 B14R2.2332 CC1=CC=C2C=C(C=O)C=CC2=C1 AT10298 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)N=C2 F15811 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.2332 N#CC1=CC2=C(C=C1)NC(=O)C=C2 P16953 [1,1,0,0,0,0|1,0,0]=3 90 B14R2.2332 O=CC1=CC2=C(C=C1)OC(=O)C=C2 F14768 [1,1,0,0,0,0|2,0,0]=4 91 B14R2.2332 O=CC1=CC=C2C=C(Cl)C=CC2=N1 80262 [1,1,0,0,0,0|0,0,1]=3 92 B14R2.8235 CC1=CC(=O)C2=C(C=CC(Cl)=C2)O1 F19840 [1,1,0,0,0,0|2,0,0]=4 93 B14R2.8235 CC1=CC(=O)NC2=C1C=C(N)C=C2 D74573 [1,1,0,0,0,0|1,0,0]=3 94 B14R2.8235 CC1=CC(Br)=CC2=C1NC(=O)C=C2 AC7497 [1,1,0,0,0,0|0,1,0]=3 95 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2Cl AC1930 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.8235 CC1=CC=C2C=C(Cl)C=C(I)C2=N1 D80123 [1,1,0,0,0,0|1,0,1]=4 97 B14R2.8235 CC1=NC2=CC=C(Cl)C=C2C(Cl)=C1 60014 [1,1,0,0,0,0|1,0,1]=4 98 B14R2.8235 ClC1=CC=C2N=C(Cl)C=C(Cl)C2=C1 83899 [1,1,0,0,0,0|1,0,1]=4 99 B14R2.8235 O=C1C=C(Cl)C2=C(C=CC(Br)=C2)N1 F13886 [1,1,0,0,0,0|0,1,0]=3 100 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=N2)N1 F13889 [1,1,0,0,0,0|1,1,0]=4 101 B14R2.8235 O=C1C=C(O)C2=C(C=CC(O)=C2)O1 AC5863 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.8235 O=C1C=CC2=CC(F)=CC(Br)=C2N1 D73421 [1,1,0,0,0,0|0,1,0]=3 103 B14R2.8235 O=C1CCC2=CC(Cl)=CC(Cl)=C2N1 D75911 [1,1,0,0,0,0|0,0,2]=4 104 B14R2.8235 O=C1CSC2=CC(Cl)=CC(Cl)=C2N1 H11202 [1,1,0,0,0,0|1,0,1]=4 105 B14R2.8235 O=C1N=CC2=CC(Br)=CC(Cl)=C2N1 F15820 [1,1,0,0,0,0|1,1,0]=4 106 B14R2.8235 O=C1N=CC2=CC(F)=CC(Br)=C2N1 F15819 [1,1,0,0,0,0|1,1,0]=4 107 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(Br)=C2 88454 [1,1,0,0,0,0|0,1,0]=3 108 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(N)=C2 58051 [1,1,0,0,0,0|1,0,0]=3 109 B14R2.29369 ClC1=CC=C2C(=N1)C=CC(Cl)=C2Br 94645 [1,1,0,0,0,0|1,0,1]=4 110 B14R2.29369 O=C1N=CC2=C(C=CC(Cl)=C2Cl)N1 F15816 [1,1,0,0,0,0|1,0,0]=3 111 B14R2.645 CC1=CC2=C(C=C1C)C(=O)C(=O)N2 W17738 [0,1,0,0,1,0|1,0,1]=4 112 B14R2.4506 O=C1NC2=C(C1=O)C(Br)=C(Cl)C=C2 D76131 [0,1,0,0,1,0|0,0,1]=3 113 B14R2.4507 CC1(C)C(=O)NC2=C1C=C(Cl)C=C2 85460 [0,1,0,0,1,0|1,0,1]=4 114 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(F)=C1 AT19798 [0,1,0,0,1,0|0,1,1]=4 115 B14R2.9184 O=C1NC2=C(Cl)C=C(Cl)C=C2C1=O 60164 [0,1,0,0,1,0|0,0,1]=3 116 B14R2.9184 O=C1NC2=C(F)C=C(F)C=C2C1=O Y10958 [0,1,0,0,1,0|0,1,1]=4 117 B14R2.19008 N\N=C1\C(=O)NC2=C1C=C(F)C=C2 C15487 [0,1,0,0,1,0|1,1,0]=4 118 B16R2.8614 N#CC1=C(O)C2=C(C=CC(Br)=C2)NC1=O C92299 [0,2,0,0,0,0|1,1,0]=4 119 B16R2.8614 N#CC1=C(O)C2=C(C=CC(Cl)=C2)NC1=O C92298 [0,2,0,0,0,0|1,0,0]=3 120 B16R2.8614 N#CC1=C(O)C2=C(C=CC(F)=C2)NC1=O C92300 [0,2,0,0,0,0|1,1,0]=4 121 B16R2.23521 O=C(O)C1=CC2=C(C=CC(F)=C2)OC1=O 90284 [0,2,0,0,0,0|1,1,0]=4 122 B16R2.23521 O=C(O)C1=CC2=C(C=CC(O)=C2)OC1=O 90281 [0,2,0,0,0,0|2,0,0]=4 123 B16R2.192589 N#CC1=CC2=CC(Cl)=CC(Cl)=C2OC1=O 97147 [0,2,0,0,0,0|2,0,0]=4 124 B14R2.7969 CC(=O)C1=CC2=CC=CC(Br)=C2O1 D73261 [0,0,1,1,0,0|1,1,0]=4 125 B14R2.7969 NC(=O)C1=CC2=C(S1)C(Cl)=NC=C2 57205 [0,0,1,1,0,0|1,1,0]=4 126 B14R2.7969 NC(=O)C1=CC2=NC=CC(Cl)=C2S1 57215 [0,0,1,1,0,0|1,1,0]=4 127 B12R1.1703 O=C(NO)C1=C(Br)C=C(Cl)C=C1 96293 [0,0,1,0,1,0|2,0,0]=4 128 B12R2.132 BrC1=CC2=C(C=C1)NC=C2Br C16409 [1,0,0,0,1,0|1,1,0]=4 129 B12R2.132 ClC1=CC=C2NC=C(I)C2=N1 C14295 [1,0,0,0,1,0|2,0,0]=4 130 B12R2.132 NC1=CC2=C(C=C1)NN=C2O 97386 [1,0,0,0,1,0|2,0,0]=4 131 B12R2.132 NC1=CC2=C(C=C1)NN=C2O I11429 [1,0,0,0,1,0|2,0,0]=4 132 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 C90107 [1,0,0,0,1,0|1,1,0]=4 133 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 S10690 [1,0,0,0,1,0|1,1,0]=4 134 B12R2.132 OC1=NNC2=C1C=C(F)C=C2 97402 [1,0,0,0,1,0|1,1,0]=4 135 B12R2.132 OC1=NNC2=C1C=C(F)C=C2 I10228 [1,0,0,0,1,0|1,1,0]=4 136 B12R2.606 ClC1=CC2=C(C=C1)C=C(Cl)N2 F52575 [1,0,0,0,1,0|2,0,0]=4 137 B12R2.606 ClC1=CC2=C(C=C1)SC(Br)=C2 F19742 [1,0,0,0,1,0|2,0,0]=4 138 B12R2.606 ClC1=NC2=C(C=C1)NC(Br)=C2 57480 [1,0,0,0,1,0|2,0,0]=4 139 B12R2.18 O=C1NC2=C(C=CN=C2)C1=O W17877 [1,0,0,0,1,0|1,0,1]=4 140 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O C15054 [1,0,0,0,1,0|1,0,1]=4 141 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [1,0,0,0,1,0|1,0,1]=4 142 B12R2.612 O=C1N=CC2=C1C=CC(F)=C2 W17708 [1,0,0,0,1,0|1,1,0]=4 143 B14R1.5956 O=C(O)C(=O)\C=C\C1=CC=CC(Cl)=C1 D77604 [0,0,1,0,0,1|1,0,1]=4