0 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 C76515 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 O10704 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.24 ClC1=CC2=CC=CC=C2N=N1 32281 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.24 FC1=CC2=CC=CC=C2N=C1 F30311 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.24 FC1=NC2=CC=CC=C2C=C1 H10138 [0,0,0,0,0,0|2,0,2]=4 9 B12R2.24 IC1=CC2=CC=CC=C2N=C1 AB9519 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.24 IC1=NC2=CC=CC=C2C=C1 71122 [0,0,0,0,0,0|2,0,2]=4 11 B12R2.24 IC1=NC2=CC=CC=C2C=N1 W17116 [0,0,0,0,0,0|3,0,1]=4 12 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,0,0,0,0,0|2,0,1]=3 16 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,0,0,0,0,0|2,0,1]=3 17 B12R2.24 O=C1C=C2C=CC=CC2=NN1 O11709 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.24 O=C1C=CC2=CC=CN=C2N1 P11962 [0,0,0,0,0,0|2,0,2]=4 19 B12R2.24 O=C1C=NC2=CC=CN=C2N1 O12061 [0,0,0,0,0,0|3,0,1]=4 20 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,0,0,0|2,0,0]=2 21 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 P10564 [0,0,0,0,0,0|2,0,0]=2 22 B12R2.24 O=C1CCC2=C(C=NC=N2)C1 F52711 [0,0,0,0,0,0|3,0,0]=3 23 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [0,0,0,0,0,0|2,0,0]=2 24 B12R2.24 O=C1CNC2=C(C=CC=N2)N1 97242 [0,0,0,0,0,0|3,0,0]=3 25 B12R2.24 O=C1COC2=C(C=CC=N2)N1 83760 [0,0,0,0,0,0|3,0,0]=3 26 B12R2.24 O=C1COC2=C(C=CN=C2)N1 83761 [0,0,0,0,0,0|3,0,0]=3 27 B12R2.24 O=C1COC2=C(C=NC=C2)N1 84022 [0,0,0,0,0,0|3,0,0]=3 28 B12R2.24 O=C1CSC2=C(C=CN=C2)N1 W19614 [0,0,0,0,0,0|3,0,0]=3 29 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,0,0,0|2,0,0]=2 30 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,0,0,0,0,0|2,0,2]=4 31 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,0,0,0,0,0|2,0,2]=4 32 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,0,0,0,0,0|2,0,2]=4 33 B12R2.24 SC1=CC2=CC=CC=C2N=C1 D83175 [0,0,0,0,0,0|2,1,1]=4 34 B12R2.24 [O-]C1=CC2=CC=CC=C2C=C1 A12912 [0,0,0,0,0,0|1,0,3]=4 35 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [1,0,0,0,0,0|2,0,0]=3 36 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [1,0,0,0,0,0|2,0,0]=3 37 B11R2.20 C1=CC2=C(C=N1)CCNC2 27429 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.20 C1=CC2=C(C=N1)CCNC2 F52150 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.20 C1=CC2=C(C=N1)CNCC2 67415 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.20 C1=CC2=C(C=N1)NCCO2 84112 [1,0,0,0,0,0|2,0,1]=4 41 B11R2.20 C1=CC2=C(C=N1)OCCN2 83898 [1,0,0,0,0,0|2,0,1]=4 42 B11R2.20 C1=CC=C2N=NC=CC2=C1 76492 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.20 C1=CC=C2N=NC=CC2=C1 Y10640 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [1,0,0,0,0,0|2,0,1]=4 45 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [1,0,0,0,0,0|3,0,0]=4 46 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [1,0,0,0,0,0|1,0,1]=3 47 B11R2.20 C1=CN=C2OCCNC2=C1 83897 [1,0,0,0,0,0|2,0,1]=4 48 B11R2.20 C1=CN=C2OCCOC2=C1 F14644 [1,0,0,0,0,0|2,0,1]=4 49 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [0,1,0,0,0,0|1,0,0]=2 50 B13R2.32 NC1CCC2=C(C=CC=C2)C1O I10525 [0,1,0,0,0,0|2,0,1]=4 51 B13R2.32 N[C@@H]1C2=C(C=CC=C2)CC[C@H]1O V10228 [0,1,0,0,0,0|1,0,2]=4 52 B13R2.32 O=C1NC=C2C=CC=CC2=C1Br P20049 [0,1,0,0,0,0|2,0,1]=4 53 B13R2.57 BrC[C@H]1CCC2=C(C=CC=C2)O1 24185 [0,1,0,0,0,0|1,0,1]=3 54 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50365 [0,1,0,0,0,0|1,0,1]=3 55 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10628 [0,1,0,0,0,0|1,0,2]=4 56 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10630 [0,1,0,0,0,0|1,0,2]=4 57 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)C2 N10443 [0,1,0,0,0,0|1,0,0]=2 58 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 38466 [0,1,0,0,0,0|3,0,0]=4 59 B13R2.155 C[C@H]1CNC2=C(C=C(Br)C=C2)O1 77196 [0,1,0,0,0,0|2,0,1]=4 60 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=C1 65843 [0,1,0,0,0,0|1,0,2]=4 61 B13R2.155 NC1=CC=C2OCC(=O)NC2=N1 C90454 [0,1,0,0,0,0|3,0,0]=4 62 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 AB10494 [0,1,0,0,0,0|2,0,1]=4 63 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 F14427 [0,1,0,0,0,0|2,0,1]=4 64 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 N10462 [0,1,0,0,0,0|2,0,1]=4 65 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 Y10675 [0,1,0,0,0,0|2,0,1]=4 66 B13R2.155 O=C1C=C2C=C(Cl)C=CC2=CN1 C75412 [0,1,0,0,0,0|2,0,1]=4 67 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)O1 AC2173 [0,1,0,0,0,0|0,0,2]=3 68 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)N1 P11961 [0,1,0,0,0,0|1,0,2]=4 69 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 52463 [0,1,0,0,0,0|2,0,1]=4 70 B13R2.155 O=C1C=NC2=C(C=C(Cl)C=C2)N1 57586 [0,1,0,0,0,0|2,0,1]=4 71 B13R2.155 O=C1C=NC2=C(C=C(F)C=C2)N1 D85368 [0,1,0,0,0,0|2,0,1]=4 72 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 F53175 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 94666 [0,1,0,0,0,0|1,0,0]=2 74 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)N1 69684 [0,1,0,0,0,0|1,0,0]=2 75 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 Y11363 [0,1,0,0,0,0|1,0,0]=2 76 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 24842 [0,1,0,0,0,0|1,0,0]=2 77 B13R2.155 O=C1CNC2=C(C=C(Cl)C=C2)N1 58140 [0,1,0,0,0,0|2,0,0]=3 78 B13R2.155 O=C1CNC2=C(C=C(F)C=C2)N1 A12734 [0,1,0,0,0,0|2,0,0]=3 79 B13R2.155 O=C1CNC2=NC=C(Br)C=C2N1 97246 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.155 O=C1CNC2=NC=C(I)C=C2N1 88228 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.155 O=C1COC2=CN=C(Br)C=C2N1 AC2167 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.155 O=C1COC2=CN=C(Cl)C=C2N1 31037 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.155 O=C1COC2=NC=C(Br)C=C2N1 27163 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.155 O=C1CSC2=C(C=C(Br)C=C2)N1 77078 [0,1,0,0,0,0|2,0,0]=3 85 B13R2.155 O=C1CSC2=C(C=C(F)C=C2)N1 A12489 [0,1,0,0,0,0|2,0,0]=3 86 B13R2.155 O=C1NC2=C(C=CC(Cl)=C2)CO1 AC5584 [0,1,0,0,0,0|2,0,0]=3 87 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 AC5320 [0,1,0,0,0,0|1,0,0]=2 88 B13R2.162 CC1=CC=CC2=C1NC(=O)CO2 AC5872 [0,1,0,0,0,0|2,0,0]=3 89 B13R2.162 CC1=CC=CC2=C1NC(=O)OC2 AC4546 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 C76281 [0,1,0,0,0,0|1,0,2]=4 91 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 F19924 [0,1,0,0,0,0|0,0,2]=3 92 B13R2.162 O=C1C=NC2=CC=CC(Br)=C2N1 76432 [0,1,0,0,0,0|2,0,1]=4 93 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 F12566 [0,1,0,0,0,0|1,0,0]=2 94 B13R2.162 O=C1CCC2=CC=CC(Br)=C2N1 56813 [0,1,0,0,0,0|1,0,0]=2 95 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 Y10481 [0,1,0,0,0,0|1,0,0]=2 96 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2N1 F16859 [0,1,0,0,0,0|1,0,0]=2 97 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 N10442 [0,1,0,0,0,0|1,0,0]=2 98 B13R2.162 O=C1CCC2=CC=CC(F)=C2N1 69687 [0,1,0,0,0,0|1,0,0]=2 99 B13R2.162 O=C1CCC2=CC=CC(O)=C2N1 C91134 [0,1,0,0,0,0|1,0,0]=2 100 B13R2.162 O=C1COC2=C(N1)C(Cl)=NC=C2 80186 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.162 O=C1COC2=CC=CC(Cl)=C2N1 90446 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.162 O=C1COC2=CC=CC(F)=C2N1 90424 [0,1,0,0,0,0|2,0,0]=3 103 B13R2.162 O=C1COC2=NC=CC(Cl)=C2N1 84594 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.162 O=C1NC2=C(I)C=CC=C2CO1 81138 [0,1,0,0,0,0|2,0,0]=3 105 B13R2.222 O=S1(=O)N=CC2=C(C=CC=C2)O1 W19517 [0,1,0,0,0,0|2,0,1]=4 106 B13R2.328 C=C1OC(=O)NC2=C1C=CC=C2 A10123 [0,1,0,0,0,0|2,0,1]=4 107 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [0,1,0,0,0,0|0,0,2]=3 108 B13R2.328 CN1CC(=O)NC2=C1C=CC=C2 87043 [0,1,0,0,0,0|2,0,0]=3 109 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 35478 [0,1,0,0,0,0|1,0,2]=4 110 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 F52101 [0,1,0,0,0,0|1,0,2]=4 111 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 51680 [0,1,0,0,0,0|1,0,2]=4 112 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Y10382 [0,1,0,0,0,0|2,0,1]=4 113 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 38076 [0,1,0,0,0,0|2,0,0]=3 114 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [0,1,0,0,0,0|0,0,2]=3 115 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O FD7388 [0,1,0,0,0,0|1,0,0]=2 116 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br F10206 [0,1,0,0,0,0|1,0,2]=4 117 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1O 67380 [0,1,0,0,0,0|1,0,2]=4 118 B13R2.369 O=C1NC2=C(C=CC=C2)C[C@@H]1O W17609 [0,1,0,0,0,0|1,0,0]=2 119 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl 38522 [0,1,0,0,0,0|2,0,1]=4 120 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 57054 [0,1,0,0,0,0|0,0,2]=3 121 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl W10453 [0,1,0,0,0,0|1,0,1]=3 122 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [0,1,0,0,0,0|1,0,1]=3 123 B13R2.3683 CC1=CC2=C(C=C1)CC(=O)CC2 Y11712 [0,1,0,0,0,0|1,0,0]=2 124 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)OC2 AC6638 [0,1,0,0,0,0|2,0,0]=3 125 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 AC7838 [0,1,0,0,0,0|0,0,2]=3 126 B13R2.3683 CN1CCC2=C(C=CC(F)=C2)C1 D80158 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 Y11307 [0,1,0,0,0,0|3,0,0]=4 128 B13R2.3683 CN1CCC2=C(C=CC(O)=C2)C1 F14525 [0,1,0,0,0,0|3,0,0]=4 129 B13R2.3683 C[C@H]1CCC2=C(C=CC(N)=C2)N1 W10064 [0,1,0,0,0,0|2,0,1]=4 130 B13R2.3683 C[C@H]1CNC2=C(C=CC(Br)=C2)O1 51776 [0,1,0,0,0,0|2,0,1]=4 131 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=N2 W17152 [0,1,0,0,0,0|2,0,1]=4 132 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 20174 [0,1,0,0,0,0|2,0,1]=4 133 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 S11530 [0,1,0,0,0,0|2,0,1]=4 134 B13R2.3683 N[C@H]1CCC2=C(C=CC(Cl)=C2)C1 20172 [0,1,0,0,0,0|2,0,1]=4 135 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11723 [0,1,0,0,0,0|2,0,1]=4 136 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11805 [0,1,0,0,0,0|2,0,1]=4 137 B13R2.3683 O=C1C=C2C=CC(Cl)=CC2=CN1 O11650 [0,1,0,0,0,0|2,0,1]=4 138 B13R2.3683 O=C1C=CC2=C(C=CC(Cl)=C2)O1 AC5388 [0,1,0,0,0,0|0,0,2]=3 139 B13R2.3683 O=C1CC2=C(C=C(Br)C=C2)CN1 55345 [0,1,0,0,0,0|2,0,0]=3 140 B13R2.3683 O=C1CC2=C(C=C(O)C=C2)CN1 AC2180 [0,1,0,0,0,0|2,0,0]=3 141 B13R2.3683 O=C1CCC2=C(C=CC(=O)N2)C1 84559 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 Y10639 [0,1,0,0,0,0|0,0,0]=1 143 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)N1 90198 [0,1,0,0,0,0|1,0,0]=2 144 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 25475 [0,1,0,0,0,0|1,0,0]=2 145 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)N1 62820 [0,1,0,0,0,0|1,0,0]=2 146 B13R2.3683 O=C1CNC2=C(C=CC(Br)=C2)N1 AC2129 [0,1,0,0,0,0|2,0,0]=3 147 B13R2.3683 O=C1COC2=C(C=CC(Cl)=N2)N1 AT11681 [0,1,0,0,0,0|3,0,0]=4 148 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 69009 [0,1,0,0,0,0|2,0,0]=3 149 B13R2.3683 O=C1COC2=CC(Br)=CN=C2N1 71913 [0,1,0,0,0,0|3,0,0]=4 150 B13R2.3683 O=C1NCC2=C(C=CC(Br)=C2)N1 C71976 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.3683 O[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11724 [0,1,0,0,0,0|1,0,2]=4 152 B13R2.5179 CC1=CC=CC2=C1CCC(=O)N2 D72057 [0,1,0,0,0,0|1,0,0]=2 153 B13R2.5179 CN1CCC2=C(O)C=CC=C2C1 F14432 [0,1,0,0,0,0|3,0,0]=4 154 B13R2.5179 NC1=CC=CC2=C1C=CC(=O)N2 69226 [0,1,0,0,0,0|1,0,2]=4 155 B13R2.5179 NC1=CC=CC2=C1CCC(=O)N2 80979 [0,1,0,0,0,0|1,0,0]=2 156 B13R2.5179 NC1=CC=CC2=C1N=CC(=O)N2 D82625 [0,1,0,0,0,0|2,0,1]=4 157 B13R2.5179 N[C@H]1CCC2=C(O)C=CC=C2C1 D85475 [0,1,0,0,0,0|2,0,1]=4 158 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 69227 [0,1,0,0,0,0|1,0,2]=4 159 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 30613 [0,1,0,0,0,0|1,0,2]=4 160 B13R2.5179 O=C1CC2=CC=CC(Br)=C2CN1 F53178 [0,1,0,0,0,0|2,0,0]=3 161 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 N10441 [0,1,0,0,0,0|1,0,0]=2 162 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2N1 26384 [0,1,0,0,0,0|1,0,0]=2 163 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 28515 [0,1,0,0,0,0|1,0,0]=2 164 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 S11508 [0,1,0,0,0,0|1,0,0]=2 165 B13R2.5179 O=C1CCC2=C(F)C=CN=C2N1 P16126 [0,1,0,0,0,0|2,0,0]=3 166 B13R2.5179 O=C1CCC2=C(N=CN=C2Cl)N1 A10772 [0,1,0,0,0,0|3,0,0]=4 167 B13R2.5179 O=C1COC2=C(C=CN=C2Cl)N1 80125 [0,1,0,0,0,0|3,0,0]=4 168 B13R2.5179 O=C1COC2=C(F)C=CC=C2N1 C15993 [0,1,0,0,0,0|2,0,0]=3 169 B13R2.5179 O=C1N=CC2=C(Cl)C=CC=C2N1 F15806 [0,1,0,0,0,0|2,0,1]=4 170 B13R2.5179 O=C1NC2=CC=CC(Br)=C2CO1 94051 [0,1,0,0,0,0|2,0,0]=3 171 B13R2.5179 O=C1NC2=CC=CC(F)=C2CO1 AC4758 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.17 C#CCOC1=C(O)C=CC=C1 W16056 [0,0,1,0,0,0|2,0,1]=4 173 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [0,0,1,0,0,0|2,0,0]=3 174 B11R1.17 C=CCOC1=C(O)C=CC=C1 H11445 [0,0,1,0,0,0|2,0,0]=3 175 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [0,0,1,0,0,0|2,0,1]=4 176 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [0,0,1,0,0,0|2,0,0]=3 177 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [0,0,1,0,0,0|2,0,1]=4 178 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [0,0,1,0,0,0|1,0,2]=4 179 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [0,0,1,0,0,0|2,0,1]=4 180 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [0,0,1,0,0,0|1,0,0]=2 181 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 24137 [0,0,1,0,0,0|1,0,2]=4 182 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [0,0,1,0,0,0|1,0,2]=4 183 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [0,0,1,0,0,0|1,0,2]=4 184 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,0,1,0,0,0|3,0,0]=4 185 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,0,1,0,0,0|1,0,0]=2 186 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,0,1,0,0,0|3,0,0]=4 187 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [0,0,1,0,0,0|2,0,1]=4 188 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,0,1,0,0,0|2,0,0]=3 189 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,0,1,0,0,0|2,0,0]=3 190 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,0,1,0,0,0|2,0,0]=3 191 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,0,1,0,0,0|2,0,0]=3 192 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,0,1,0,0,0|2,0,0]=3 193 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,0,1,0,0,0|2,0,0]=3 194 B11R1.41 COC1=C(CC=O)C=CC=C1 29933 [0,0,1,0,0,0|2,0,0]=3 195 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,0,1,0,0,0|2,0,0]=3 196 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [0,0,1,0,0,0|2,0,1]=4 197 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [0,0,1,0,0,0|3,0,0]=4 198 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,1,0,0,0|1,0,2]=4 199 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,0,1,0,0,0|2,0,1]=4 200 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,0,1,0,0,0|2,0,0]=3 201 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,0,1,0,0,0|2,0,0]=3 202 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,1,0,0,0|2,0,0]=3 203 B11R1.91 O=C(O)C#CC1=CC=NC=C1 AC1699 [0,0,1,0,0,0|1,0,2]=4 204 B11R1.91 O=C(O)C#CC1=CN=CC=C1 O10892 [0,0,1,0,0,0|1,0,2]=4 205 B11R1.91 O=C(O)C#CC1=NC=CC=C1 W11288 [0,0,1,0,0,0|1,0,2]=4 206 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [0,0,1,0,0,0|2,0,0]=3 207 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [0,0,1,0,0,0|2,0,0]=3 208 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [0,0,1,0,0,0|2,0,0]=3 209 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [0,0,1,0,0,0|2,0,0]=3 210 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,0,1,0,0,0|2,0,0]=3 211 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,1,0,0,0|0,0,1]=2 212 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,0,1,0,0,0|1,0,1]=3 213 B11R2.1 BrC1=NSC2=C1C=CC=C2 D84733 [0,0,0,0,1,0|3,0,0]=4 214 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,0,1,0|1,0,0]=2 215 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,0,1,0|1,0,1]=3 216 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,0,0,0,1,0|2,0,0]=3 217 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,0,1,0|2,0,1]=4 218 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [0,0,0,0,1,0|2,0,1]=4 219 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [0,0,0,0,1,0|2,0,1]=4 220 B11R2.1 FC1=NNC2=C1C=CC=C2 F30837 [0,0,0,0,1,0|3,0,0]=4 221 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [0,0,0,0,1,0|2,0,1]=4 222 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [0,0,0,0,1,0|2,0,1]=4 223 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,0,0,0,1,0|2,0,0]=3 224 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,0,0,0,1,0|2,0,0]=3 225 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,0,0,0,1,0|2,0,1]=4 226 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,0,0,0,1,0|2,0,1]=4 227 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,0,0,0,1,0|2,0,1]=4 228 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [0,0,0,0,1,0|0,0,2]=3 229 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,0,0,0,1,0|1,0,0]=2 230 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,0,0,0,1,0|1,0,0]=2 231 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [0,0,0,0,1,0|2,0,0]=3 232 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [0,0,0,0,1,0|2,0,0]=3 233 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,0,1,0|1,0,0]=2 234 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,0,0,0,1,0|2,0,0]=3 235 B11R2.1 O=C1NCC2=C1C=CN=C2 F19961 [0,0,0,0,1,0|2,0,0]=3 236 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [0,0,0,0,1,0|2,0,0]=3 237 B11R2.1 O=C1NCC2=C1CC=CC2 P15954 [0,0,0,0,1,0|1,0,2]=4 238 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,0,0,0,1,0|2,0,0]=3 239 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,0,0,0,1,0|3,0,0]=4 240 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,0,0,0,1,0|3,0,0]=4 241 B11R2.1 O=C1NNC2=C1C=CC=N2 36117 [0,0,0,0,1,0|3,0,0]=4 242 B11R2.1 O=C1NNC2=C1C=CN=C2 F50508 [0,0,0,0,1,0|3,0,0]=4 243 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [0,0,0,0,1,0|3,0,0]=4 244 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,0,0,0,1,0|2,0,1]=4 245 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,0,0,0,1,0|0,0,2]=3 246 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,0,0,0,1,0|1,0,2]=4 247 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,0,0,0,1,0|1,0,2]=4 248 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,0,0,0,1,0|1,0,2]=4 249 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,0,0,0,1,0|1,0,2]=4 250 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,0,0,0,1,0|1,0,2]=4 251 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [0,0,0,0,1,0|1,0,1]=3 252 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [0,0,0,0,1,0|1,0,1]=3 253 B11R2.10 CC1=NC2=C(C=CN=C2)O1 F13462 [0,0,0,0,1,0|3,0,0]=4 254 B11R2.10 CC1=NC2=CC=CN=C2O1 AC1641 [0,0,0,0,1,0|3,0,0]=4 255 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [0,0,0,0,1,0|2,0,1]=4 256 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [0,0,0,0,1,0|2,0,1]=4 257 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [0,0,0,0,1,0|2,0,1]=4 258 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C73480 [0,0,0,0,1,0|3,0,0]=4 259 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [0,0,0,0,1,0|2,0,1]=4 260 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [0,0,0,0,1,0|1,0,1]=3 261 B11R2.10 IC1=CC2=C(C=CC=C2)S1 F13439 [0,0,0,0,1,0|1,1,1]=4 262 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [0,0,0,0,1,0|1,1,1]=4 263 B11R2.10 NC1=NC2=C(C=CN=C2)O1 36483 [0,0,0,0,1,0|3,0,0]=4 264 B11R2.10 NC1=NC2=CC=CN=C2O1 F13374 [0,0,0,0,1,0|3,0,0]=4 265 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [0,0,0,0,1,0|2,0,0]=3 266 B11R2.10 O=C1CN2C=CC=CC2=N1 78878 [0,0,0,0,1,0|2,0,0]=3 267 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [0,0,0,0,1,0|2,0,0]=3 268 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [0,0,0,0,1,0|2,0,0]=3 269 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [0,0,0,0,1,0|2,0,0]=3 270 B11R2.10 S=C1NC2=C(C=CN=C2)O1 AC2527 [0,0,0,0,1,0|2,1,0]=4 271 B11R2.10 S=C1NC2=C(N=CC=C2)O1 AC7981 [0,0,0,0,1,0|2,1,0]=4 272 B11R2.36 O=C1CCC2=C(C1)SC=N2 N13364 [0,0,0,0,1,0|3,0,0]=4 273 B13R2.163 O=C1CCCC2=CC=CN=C2N1 C76110 [0,0,0,0,0,1|2,0,0]=3 274 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,0,0,0,0,1|1,0,0]=2 275 B13R2.163 O=C1NCCC2=C(C=CC=C2)N1 F21129 [0,0,0,0,0,1|1,0,0]=2 276 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,0,1,0,0,0|0,0,1]=3 277 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,0,1,0,0,0|2,0,0]=4 278 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,0,1,0,0,0|1,0,1]=4 279 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,0,1,0,0,0|2,0,0]=4 280 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,0,1,0,0,0|2,0,0]=4 281 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [1,0,1,0,0,0|1,0,1]=4 282 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,0,1,0,0,0|1,0,1]=4 283 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,0,1,0,0,0|1,0,1]=4 284 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,0,1,0,0,0|1,0,0]=3 285 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,0,1,0,0,0|1,0,0]=3 286 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,0,1,0,0,0|1,0,0]=3 287 B10R1.20 C=CC1=C(CO)C=CC=C1 C74805 [1,0,1,0,0,0|2,0,0]=4 288 B10R1.20 CNC1=C(C=O)C=CC=C1 O10528 [1,0,1,0,0,0|1,0,0]=3 289 B10R1.20 CNC1=C(C=O)C=CC=N1 FD10569 [1,0,1,0,0,0|2,0,0]=4 290 B10R1.20 COC1=C(C=O)C=CN=C1 P17577 [1,0,1,0,0,0|2,0,0]=4 291 B10R1.20 COC1=CC=CN=C1C=O P10318 [1,0,1,0,0,0|2,0,0]=4 292 B10R1.20 CSC1=C(C=O)C=CC=C1 T72851 [1,0,1,0,0,0|1,0,0]=3 293 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,0,1,0,0,0|2,0,0]=4 294 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,0,1,0,0,0|1,0,0]=3 295 B12R1.121 COC1=C(CCC=O)C=CC=C1 F19725 [0,1,1,0,0,0|0,0,0]=2 296 B12R1.121 COC1=C(CCCO)C=CC=C1 F19813 [0,1,1,0,0,0|0,0,2]=4 297 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,1,1,0,0,0|1,0,0]=3 298 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [0,1,1,0,0,0|2,0,0]=4 299 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [0,1,1,0,0,0|2,0,0]=4 300 B12R1.125 CC1=C(CCC(=O)O)C=NC=C1 72576 [0,1,1,0,0,0|2,0,0]=4 301 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [0,1,1,0,0,0|2,0,0]=4 302 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [0,1,1,0,0,0|2,0,0]=4 303 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 C73314 [0,1,1,0,0,0|2,0,0]=4 304 B12R1.32 CCOC(=O)NC1=CC=NC=C1 F21286 [0,1,1,0,0,0|2,0,0]=4 305 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [0,1,1,0,0,0|0,0,0]=2 306 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [0,1,1,0,0,0|1,0,0]=3 307 B12R1.34 CNC(=O)[C@H](N)C1=CC=CC=C1 AB10122 [0,1,1,0,0,0|2,0,0]=4 308 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [0,1,1,0,0,0|2,0,0]=4 309 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [0,1,1,0,0,0|2,0,0]=4 310 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [0,1,1,0,0,0|2,0,0]=4 311 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [0,1,1,0,0,0|2,0,0]=4 312 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,1,1,0,0,0|1,0,0]=3 313 B12R1.75 C=CC1=C(OC(C)=O)C=CC=C1 20662 [0,1,1,0,0,0|0,0,2]=4 314 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 F18015 [0,1,1,0,0,0|1,0,0]=3 315 B12R1.75 CCC1=C(CC(=O)O)C=CC=C1 C15212 [0,1,1,0,0,0|1,0,0]=3 316 B12R1.75 O=C(O)CC1=C(CBr)C=CC=C1 W10194 [0,1,1,0,0,0|2,0,0]=4 317 B12R1.283 CCOC1=C([C@H](C)N)C=CC=C1 Y10278 [0,1,1,0,0,0|1,0,1]=4 318 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 D83457 [0,1,1,0,0,0|2,0,0]=4 319 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 Y11801 [0,1,1,0,0,0|2,0,0]=4 320 B12R1.127 CC(=O)NC1=C(Br)C=CC(Br)=C1 28021 [0,1,1,0,0,0|2,0,0]=4 321 B12R1.127 CC(=O)NC1=C(O)C=CC(Cl)=C1 F19911 [0,1,1,0,0,0|2,0,0]=4 322 B12R1.224 CC(=O)CC1=CC=CC(F)=C1F Y12421 [0,1,1,0,0,0|2,0,0]=4 323 B12R1.224 CC(=O)NC1=C(Cl)C(C)=CC=C1 75491 [0,1,1,0,0,0|2,0,0]=4 324 B12R1.224 CC1=C(CC(=O)O)C=CC=C1N 78655 [0,1,1,0,0,0|2,0,0]=4 325 B12R1.224 CC1=C(I)C=CC=C1CC(=O)O CL9700 [0,1,1,0,0,0|2,0,0]=4 326 B12R1.1009 CC(=O)NC1=C(Cl)C=CC=C1Cl AB10318 [0,1,1,0,0,0|2,0,0]=4 327 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [0,1,1,0,0,0|2,0,0]=4 328 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,1,1,0,0,0|2,0,0]=4 329 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,1,1,0,0,0|1,0,0]=3 330 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,1,1,0,0,0|1,0,0]=3 331 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,1,1,0,0,0|1,0,0]=3 332 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,1,1,0,0,0|1,0,0]=3 333 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,1,1,0,0,0|0,0,0]=2 334 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,1,1,0,0,0|0,0,0]=2 335 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [0,1,1,0,0,0|1,0,0]=3 336 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [0,1,1,0,0,0|1,0,0]=3 337 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 Y11722 [0,1,1,0,0,0|1,0,0]=3 338 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11797 [0,1,1,0,0,0|1,0,0]=3 339 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11798 [0,1,1,0,0,0|1,0,0]=3 340 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,1,1,0,0,0|0,0,2]=4 341 B12R2.1081 BrC1=C2CCCOC2=CC=C1 I11493 [1,1,0,0,0,0|0,0,1]=3 342 B12R2.1081 BrC1=C2CCOCC2=CC=C1 N13086 [1,1,0,0,0,0|2,0,0]=4 343 B12R2.1081 BrC1=C2CNCCC2=CC=C1 P10908 [1,1,0,0,0,0|2,0,0]=4 344 B12R2.1081 BrC1=C2COCCC2=CC=C1 72830 [1,1,0,0,0,0|2,0,0]=4 345 B12R2.1081 BrC1=C2NCCCC2=CC=C1 D82984 [1,1,0,0,0,0|1,0,1]=4 346 B12R2.1081 BrC1=C2OCCCC2=CC=C1 I11496 [1,1,0,0,0,0|0,0,1]=3 347 B12R2.1081 BrC1=C2OCCNC2=CC=C1 69215 [1,1,0,0,0,0|1,0,1]=4 348 B12R2.1081 CC1=CC=CC2=C1CCCC2 N10858 [1,1,0,0,0,0|1,0,1]=4 349 B12R2.1081 CC1=CC=CC2=C1CCCO2 Y13226 [1,1,0,0,0,0|0,0,1]=3 350 B12R2.1081 CC1=CC=CC2=C1CCNC2 71743 [1,1,0,0,0,0|2,0,0]=4 351 B12R2.1081 CC1=CC=CC2=C1OCCC2 Y13223 [1,1,0,0,0,0|0,0,1]=3 352 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [1,1,0,0,0,0|1,0,1]=4 353 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [1,1,0,0,0,0|1,0,1]=4 354 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [1,1,0,0,0,0|1,0,1]=4 355 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [1,1,0,0,0,0|2,0,0]=4 356 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [1,1,0,0,0,0|2,0,0]=4 357 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [1,1,0,0,0,0|2,0,0]=4 358 B12R2.1081 ClC1=C2CCCCC2=CC=C1 Y13222 [1,1,0,0,0,0|1,0,1]=4 359 B12R2.1081 ClC1=C2CCNCC2=CC=C1 F52623 [1,1,0,0,0,0|2,0,0]=4 360 B12R2.1081 ClC1=C2CNCCC2=CC=C1 24214 [1,1,0,0,0,0|2,0,0]=4 361 B12R2.1081 ClC1=C2NCCCC2=CC=C1 F16849 [1,1,0,0,0,0|1,0,1]=4 362 B12R2.1081 ClC1=C2OCCCC2=CC=C1 N10904 [1,1,0,0,0,0|0,0,1]=3 363 B12R2.1081 ClC1=C2OCCNC2=CC=C1 W10055 [1,1,0,0,0,0|1,0,1]=4 364 B12R2.1081 FC1=C2CCCNC2=CC=C1 SC2341 [1,1,0,0,0,0|1,0,1]=4 365 B12R2.1081 FC1=C2CCCNC2=CC=C1 Y12021 [1,1,0,0,0,0|1,0,1]=4 366 B12R2.1081 FC1=C2CCNCC2=CC=C1 26908 [1,1,0,0,0,0|2,0,0]=4 367 B12R2.1081 FC1=C2CCNCC2=CC=C1 F13835 [1,1,0,0,0,0|2,0,0]=4 368 B12R2.1081 FC1=C2NCCCC2=CC=C1 N12833 [1,1,0,0,0,0|1,0,1]=4 369 B12R2.1081 FC1=C2OCCCC2=CC=C1 N11406 [1,1,0,0,0,0|0,0,1]=3 370 B12R2.1081 FC1=C2OCCNC2=CC=C1 70451 [1,1,0,0,0,0|1,0,1]=4 371 B12R2.1081 NC1=C2CNCCC2=CC=C1 81638 [1,1,0,0,0,0|2,0,0]=4 372 B12R2.1081 NC1=C2OCCCC2=CC=C1 N13184 [1,1,0,0,0,0|0,0,1]=3 373 B12R2.1081 NC1=CC=CC2=C1CCCN2 21021 [1,1,0,0,0,0|1,0,1]=4 374 B12R2.1081 NC1=CC=CC2=C1CCCO2 S11588 [1,1,0,0,0,0|0,0,1]=3 375 B12R2.1081 NC1=CC=CC2=C1CCCO2 S12176 [1,1,0,0,0,0|0,0,1]=3 376 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 C76564 [1,1,0,0,0,0|1,0,1]=4 377 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 F53442 [1,1,0,0,0,0|1,0,1]=4 378 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [1,1,0,0,0,0|0,0,1]=3 379 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [1,1,0,0,0,0|0,0,1]=3 380 B12R2.1081 N[C@H]1CCOC2=C1N=CC=C2 50286 [1,1,0,0,0,0|1,0,1]=4 381 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 52240 [1,1,0,0,0,0|2,0,0]=4 382 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [1,1,0,0,0,0|2,0,0]=4 383 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [1,1,0,0,0,0|2,0,0]=4 384 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 F31381 [1,1,0,0,0,0|1,0,1]=4 385 B12R2.1081 OC1=C2CCCNC2=CC=C1 F30097 [1,1,0,0,0,0|1,0,1]=4 386 B12R2.1081 OC1=C2CCNCC2=CC=C1 71954 [1,1,0,0,0,0|2,0,0]=4 387 B12R2.1081 OC1=C2CCNCC2=CC=C1 D80201 [1,1,0,0,0,0|2,0,0]=4 388 B12R2.1081 OC1=C2CNCCC2=CC=C1 F19176 [1,1,0,0,0,0|2,0,0]=4 389 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [1,1,0,0,0,0|1,0,1]=4 390 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [1,1,0,0,0,0|1,0,1]=4 391 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [1,1,0,0,0,0|1,0,1]=4 392 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [1,1,0,0,0,0|0,0,1]=3 393 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [1,1,0,0,0,0|2,0,0]=4 394 B12R2.1 O=CC1=COC2=C1C=CC=C2 29951 [0,1,0,0,1,0|1,0,1]=4 395 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O C10104 [0,1,0,0,1,0|1,0,1]=4 396 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10991 [0,1,0,0,1,0|1,0,1]=4 397 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N Y12626 [0,1,0,0,1,0|1,0,1]=4 398 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [0,1,0,0,1,0|1,0,0]=3 399 B12R2.132 CC1=CC2=C(C=C1)ONC2=O C76060 [0,1,0,0,1,0|2,0,0]=4 400 B12R2.132 NC1=CC2=C(C=C1)ONC2=O C76344 [0,1,0,0,1,0|2,0,0]=4 401 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 71649 [0,1,0,0,1,0|1,0,1]=4 402 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 N10744 [0,1,0,0,1,0|1,0,1]=4 403 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10462 [0,1,0,0,1,0|1,0,1]=4 404 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10463 [0,1,0,0,1,0|1,0,1]=4 405 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y11201 [0,1,0,0,1,0|1,0,1]=4 406 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y12017 [0,1,0,0,1,0|1,0,1]=4 407 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 N13065 [0,1,0,0,1,0|1,0,1]=4 408 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 Y11815 [0,1,0,0,1,0|1,0,1]=4 409 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16923 [0,1,0,0,1,0|1,0,1]=4 410 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I11030 [0,1,0,0,1,0|1,0,1]=4 411 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10106 [0,1,0,0,1,0|1,0,1]=4 412 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10313 [0,1,0,0,1,0|1,0,1]=4 413 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 P15824 [0,1,0,0,1,0|1,0,1]=4 414 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 Y10912 [0,1,0,0,1,0|1,0,1]=4 415 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [0,1,0,0,1,0|1,0,0]=3 416 B12R2.132 O=C1COC2=C1C=C(O)C=C2 P16901 [0,1,0,0,1,0|1,0,0]=3 417 B12R2.132 O=C1CSC2=C1C=C(Br)C=C2 F11126 [0,1,0,0,1,0|1,0,0]=3 418 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 84532 [0,1,0,0,1,0|1,0,0]=3 419 B12R2.132 O=C1NCC2=C1C=C(I)C=C2 87915 [0,1,0,0,1,0|1,0,0]=3 420 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 82363 [0,1,0,0,1,0|1,0,0]=3 421 B12R2.132 O=C1NCC2=NC=C(Br)C=C12 O10970 [0,1,0,0,1,0|2,0,0]=4 422 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 27739 [0,1,0,0,1,0|2,0,0]=4 423 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 F30839 [0,1,0,0,1,0|2,0,0]=4 424 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 76358 [0,1,0,0,1,0|1,0,0]=3 425 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 Y10487 [0,1,0,0,1,0|1,0,0]=3 426 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 82366 [0,1,0,0,1,0|1,0,0]=3 427 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 N10435 [0,1,0,0,1,0|0,0,2]=4 428 B12R2.132 O[C@H]1CCC2=C1C=C(Cl)C=C2 53581 [0,1,0,0,1,0|0,0,2]=4 429 B12R2.132 O[C@H]1CCC2=C1C=C(F)C=C2 N13071 [0,1,0,0,1,0|0,0,2]=4 430 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y11246 [0,1,0,0,1,0|1,0,1]=4 431 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y13340 [0,1,0,0,1,0|1,0,1]=4 432 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2O Y10331 [0,1,0,0,1,0|0,0,2]=4 433 B12R2.196 CC1=CC=CC2=C1CNC2=O 80956 [0,1,0,0,1,0|1,0,0]=3 434 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 F16950 [0,1,0,0,1,0|1,0,1]=4 435 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10898 [0,1,0,0,1,0|1,0,1]=4 436 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10901 [0,1,0,0,1,0|1,0,1]=4 437 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I11061 [0,1,0,0,1,0|1,0,1]=4 438 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10107 [0,1,0,0,1,0|1,0,1]=4 439 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10458 [0,1,0,0,1,0|1,0,1]=4 440 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N12980 [0,1,0,0,1,0|1,0,1]=4 441 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11443 [0,1,0,0,1,0|1,0,1]=4 442 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 20085 [0,1,0,0,1,0|1,0,1]=4 443 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 I10598 [0,1,0,0,1,0|1,0,1]=4 444 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 Y10916 [0,1,0,0,1,0|1,0,1]=4 445 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 D80589 [0,1,0,0,1,0|1,0,1]=4 446 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N11146 [0,1,0,0,1,0|1,0,1]=4 447 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N12632 [0,1,0,0,1,0|1,0,1]=4 448 B12R2.196 O=C1COC2=C(Cl)C=CC=C12 AT10339 [0,1,0,0,1,0|1,0,0]=3 449 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 F17918 [0,1,0,0,1,0|1,0,0]=3 450 B12R2.196 O=C1NCC2=C(F)C=CC=C12 94869 [0,1,0,0,1,0|1,0,0]=3 451 B12R2.196 O=C1NCC2=C1C=CC=C2O 52838 [0,1,0,0,1,0|1,0,0]=3 452 B12R2.196 O=C1OCC2=C(F)C=CC=C12 89370 [0,1,0,0,1,0|1,0,0]=3 453 B12R2.196 O=C1OCC2=C1C=CC=C2O 76130 [0,1,0,0,1,0|1,0,0]=3 454 B12R2.196 O[C@H]1CCC2=C(Cl)C=CC=C21 N12836 [0,1,0,0,1,0|0,0,2]=4 455 B12R2.196 O[C@H]1CCC2=C(F)C=CC=C21 N13047 [0,1,0,0,1,0|0,0,2]=4 456 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N F16924 [0,1,0,0,1,0|1,0,1]=4 457 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N N11228 [0,1,0,0,1,0|1,0,1]=4 458 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2O 72767 [0,1,0,0,1,0|0,0,2]=4 459 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 79955 [0,1,0,0,1,0|0,0,0]=2 460 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 P10726 [0,1,0,0,1,0|1,0,0]=3 461 B12R2.203 NC1=C2C(=O)OCC2=CC=C1 F16457 [0,1,0,0,1,0|1,0,0]=3 462 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 N11312 [0,1,0,0,1,0|1,0,1]=4 463 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 Y11358 [0,1,0,0,1,0|1,0,1]=4 464 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y10796 [0,1,0,0,1,0|1,0,1]=4 465 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11442 [0,1,0,0,1,0|1,0,1]=4 466 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11534 [0,1,0,0,1,0|1,0,1]=4 467 B12R2.203 N[C@H]1CCC2=CC=CC(O)=C21 F31358 [0,1,0,0,1,0|1,0,1]=4 468 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 58274 [0,1,0,0,1,0|0,0,0]=2 469 B12R2.203 O=C1COC2=CC=CC(Br)=C12 F13692 [0,1,0,0,1,0|1,0,0]=3 470 B12R2.203 O=C1COC2=CC=CC(F)=C12 C16679 [0,1,0,0,1,0|1,0,0]=3 471 B12R2.203 O=C1NCC2=C1C(Cl)=NC=C2 D96489 [0,1,0,0,1,0|2,0,0]=4 472 B12R2.203 O=C1NCC2=CC=CC(F)=C12 90046 [0,1,0,0,1,0|1,0,0]=3 473 B12R2.203 O=C1OCC2=CC=CC(Br)=C12 Y12627 [0,1,0,0,1,0|1,0,0]=3 474 B12R2.203 O=C1OCC2=CC=CC(F)=C12 N13153 [0,1,0,0,1,0|1,0,0]=3 475 B12R2.203 O=C1OCC2=CC=CC(I)=C12 D83894 [0,1,0,0,1,0|1,0,0]=3 476 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 78098 [0,1,0,0,1,0|1,0,0]=3 477 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,1,0,0,1,0|1,0,1]=4 478 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,1,0,0,1,0|1,0,1]=4 479 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,1,0,0,1,0|0,0,2]=4 480 B12R2.612 CC1=CC2=C(C=N1)C(=O)CC2 66309 [0,1,0,0,1,0|1,0,0]=3 481 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 20323 [0,1,0,0,1,0|2,0,0]=4 482 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67300 [0,1,0,0,1,0|1,0,1]=4 483 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67303 [0,1,0,0,1,0|1,0,1]=4 484 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 N11203 [0,1,0,0,1,0|1,0,1]=4 485 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 O10181 [0,1,0,0,1,0|1,0,1]=4 486 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 Y10109 [0,1,0,0,1,0|1,0,1]=4 487 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 N12837 [0,1,0,0,1,0|1,0,1]=4 488 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10880 [0,1,0,0,1,0|1,0,1]=4 489 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10881 [0,1,0,0,1,0|1,0,1]=4 490 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10918 [0,1,0,0,1,0|1,0,1]=4 491 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10919 [0,1,0,0,1,0|1,0,1]=4 492 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11253 [0,1,0,0,1,0|1,0,1]=4 493 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11814 [0,1,0,0,1,0|1,0,1]=4 494 B12R2.612 N[C@H]1CCC2=C1C=CC(O)=C2 Y11929 [0,1,0,0,1,0|1,0,1]=4 495 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,1,0,0,1,0|0,0,0]=2 496 B12R2.612 O=C1CCC2=CC(Br)=CN=C12 85957 [0,1,0,0,1,0|1,0,0]=3 497 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 67306 [0,1,0,0,1,0|1,0,0]=3 498 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 83087 [0,1,0,0,1,0|1,0,0]=3 499 B12R2.612 O=C1NCC2=C1C=CC(Cl)=N2 83999 [0,1,0,0,1,0|2,0,0]=4 500 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 52917 [0,1,0,0,1,0|2,0,0]=4 501 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 26667 [0,1,0,0,1,0|2,0,0]=4 502 B12R2.612 O=C1NSC2=C1C=CC(F)=C2 S10563 [0,1,0,0,1,0|2,0,0]=4 503 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 P13253 [0,1,0,0,1,0|2,0,0]=4 504 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67299 [0,1,0,0,1,0|0,0,2]=4 505 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67301 [0,1,0,0,1,0|0,0,2]=4 506 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,1,0,0,1,0|2,0,0]=4 507 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,1,0,0,1,0|1,0,0]=3 508 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [0,1,0,0,1,0|1,0,0]=3 509 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,1,0,0,1,0|0,0,2]=4 510 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [0,1,0,0,1,0|1,0,0]=3 511 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 26882 [0,1,0,0,1,0|2,0,0]=4 512 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 Y10990 [0,1,0,0,1,0|2,0,0]=4 513 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 AC2210 [0,1,0,0,1,0|1,0,1]=4 514 B12R2.32 NCC1=NC2=C(C=CC=C2)O1 AC2205 [0,1,0,0,1,0|2,0,0]=4 515 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 P11151 [0,1,0,0,1,0|1,0,1]=4 516 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 25158 [0,1,0,0,1,0|0,0,2]=4 517 B12R2.95 O=S1(=O)CC2=C(C=CC=C2)N1 72073 [0,1,0,0,1,0|2,0,0]=4 518 B12R2.202 CC1=CC=CC2=C1OC(=O)N2 F20152 [0,1,0,0,1,0|1,0,0]=3 519 B12R2.202 CC1=CC=NC2=C1CC(=O)N2 D79082 [0,1,0,0,1,0|2,0,0]=4 520 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 C75634 [0,1,0,0,1,0|2,0,0]=4 521 B12R2.202 CC1=NC2=C(Br)C=CC=C2O1 F13689 [0,1,0,0,1,0|2,0,0]=4 522 B12R2.202 CC1=NC2=C(F)C=CC=C2O1 C73452 [0,1,0,0,1,0|2,0,0]=4 523 B12R2.202 ClC1=NC2=CC=CC(Cl)=C2O1 AC7018 [0,1,0,0,1,0|2,0,0]=4 524 B12R2.202 FC1=CC=CC2=C1OC(S)=N2 AC4468 [0,1,0,0,1,0|1,1,0]=4 525 B12R2.202 NC1=CC=CC2=C1CC(=O)N2 82071 [0,1,0,0,1,0|1,0,0]=3 526 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 D80850 [0,1,0,0,1,0|1,0,0]=3 527 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 70907 [0,1,0,0,1,0|1,0,0]=3 528 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 C13690 [0,1,0,0,1,0|2,0,0]=4 529 B12R2.202 NC1=NC2=C(C=CC=C2O)O1 C77367 [0,1,0,0,1,0|2,0,0]=4 530 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 F10223 [0,1,0,0,1,0|2,0,0]=4 531 B12R2.202 O=C1CC2=C(Br)C=NC=C2N1 C71621 [0,1,0,0,1,0|2,0,0]=4 532 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 37548 [0,1,0,0,1,0|2,0,0]=4 533 B12R2.202 O=C1CC2=C(N1)C(Cl)=NC=C2 P16160 [0,1,0,0,1,0|2,0,0]=4 534 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 38087 [0,1,0,0,1,0|1,0,0]=3 535 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 27432 [0,1,0,0,1,0|1,0,0]=3 536 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 I11355 [0,1,0,0,1,0|1,0,0]=3 537 B12R2.202 O=C1CC2=CN=CC(Br)=C2N1 P14743 [0,1,0,0,1,0|2,0,0]=4 538 B12R2.202 O=C1CC2=NC=CC(Br)=C2N1 D96612 [0,1,0,0,1,0|2,0,0]=4 539 B12R2.202 O=C1CC2=NC=CC(Cl)=C2N1 D96611 [0,1,0,0,1,0|2,0,0]=4 540 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 F15046 [0,1,0,0,1,0|1,1,0]=4 541 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 C91054 [0,1,0,0,1,0|2,0,0]=4 542 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 36174 [0,1,0,0,1,0|1,0,0]=3 543 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 C71607 [0,1,0,0,1,0|1,1,0]=4 544 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 C74328 [0,1,0,0,1,0|2,0,0]=4 545 B12R2.202 SC1=NC2=CC=CC(Cl)=C2O1 AC6282 [0,1,0,0,1,0|1,1,0]=4 546 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 F21500 [0,1,0,0,1,0|1,0,1]=4 547 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 52985 [0,1,0,0,1,0|2,0,0]=4 548 B12R2.606 CC1=CC2=C(C=C1)N=C(S)O2 T72123 [0,1,0,0,1,0|1,1,0]=4 549 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 F15190 [0,1,0,0,1,0|1,1,0]=4 550 B12R2.606 CC1=CC2=C(CC(=O)N2)N=C1 D97288 [0,1,0,0,1,0|2,0,0]=4 551 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 78609 [0,1,0,0,1,0|2,0,0]=4 552 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 I10199 [0,1,0,0,1,0|2,0,0]=4 553 B12R2.606 C[C@H]1CC2=C(C=CC(Br)=C2)O1 72190 [0,1,0,0,1,0|1,0,1]=4 554 B12R2.606 ClC1=NC2=C(C=C(Br)C=C2)O1 AC2127 [0,1,0,0,1,0|2,0,0]=4 555 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 36068 [0,1,0,0,1,0|2,0,0]=4 556 B12R2.606 FC1=CC2=C(C=C1)OC(Cl)=N2 F30138 [0,1,0,0,1,0|2,0,0]=4 557 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 88115 [0,1,0,0,1,0|1,0,0]=3 558 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 D82169 [0,1,0,0,1,0|0,0,0]=2 559 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 29673 [0,1,0,0,1,0|2,0,0]=4 560 B12R2.606 NC1=NC2=C(C=C(I)C=C2)O1 D94563 [0,1,0,0,1,0|2,0,0]=4 561 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 26376 [0,1,0,0,1,0|1,0,0]=3 562 B12R2.606 O=C1CC2=C(C=C(F)C=C2)C1 53683 [0,1,0,0,1,0|1,0,0]=3 563 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 F30698 [0,1,0,0,1,0|1,0,0]=3 564 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 D78722 [0,1,0,0,1,0|0,0,0]=2 565 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 37498 [0,1,0,0,1,0|2,0,0]=4 566 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 76341 [0,1,0,0,1,0|2,0,0]=4 567 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 83460 [0,1,0,0,1,0|2,0,0]=4 568 B12R2.606 O=C1CC2=C(N=C(F)C=C2)N1 P19241 [0,1,0,0,1,0|2,0,0]=4 569 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 38150 [0,1,0,0,1,0|2,0,0]=4 570 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 27366 [0,1,0,0,1,0|2,0,0]=4 571 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 27626 [0,1,0,0,1,0|2,0,0]=4 572 B12R2.606 O=C1CC2=CC(I)=CN=C2N1 F18613 [0,1,0,0,1,0|2,0,0]=4 573 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 38389 [0,1,0,0,1,0|2,0,0]=4 574 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 39137 [0,1,0,0,1,0|2,0,0]=4 575 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 24744 [0,1,0,0,1,0|2,0,0]=4 576 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 A12501 [0,1,0,0,1,0|2,0,0]=4 577 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 27037 [0,1,0,0,1,0|1,1,0]=4 578 B12R2.606 O=C1NC2=C(C=CC(Br)=N2)O1 AC2056 [0,1,0,0,1,0|2,0,0]=4 579 B12R2.606 O=C1NC2=C(C=CC(O)=C2)O1 D83229 [0,1,0,0,1,0|1,0,0]=3 580 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 C75325 [0,1,0,0,1,0|1,0,0]=3 581 B14R2.279 N[C@@H]1C(=O)NCCC2=C1C=CC=C2 C15419 [0,1,0,0,0,1|1,0,0]=3 582 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 P10220 [0,1,0,0,0,1|1,0,0]=3 583 B14R2.380 O=C1CCCC2=C(C=C(Br)C=C2)N1 N13010 [0,1,0,0,0,1|1,0,0]=3 584 B14R2.380 O=C1CCNC2=C(C=C(Cl)C=C2)N1 W13171 [0,1,0,0,0,1|1,0,0]=3 585 B14R2.390 NC1=C2NC(=O)CCCC2=CC=C1 P20083 [0,1,0,0,0,1|1,0,0]=3 586 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 I10673 [0,1,0,0,0,1|1,0,0]=3 587 B14R2.7974 O=C1CCCC2=C(C=CC(Br)=C2)N1 P19143 [0,1,0,0,0,1|1,0,0]=3 588 B14R2.7974 O=C1CNCC2=CC(Br)=CN=C2N1 81095 [0,1,0,0,0,1|2,0,0]=4 589 B14R2.7974 O=C1COCC2=C(C=CC(Br)=C2)N1 W19048 [0,1,0,0,0,1|1,0,0]=3 590 B14R2.28454 O=C1CCCC2=C(Br)C=CC=C2N1 N13123 [0,1,0,0,0,1|1,0,0]=3 591 B14R2.4513 CC1=C(Br)C=CC2=C1NC(=O)CO2 90443 [0,2,0,0,0,0|2,0,0]=4 592 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 41197 [0,2,0,0,0,0|0,0,2]=4 593 B14R2.4513 O=C1CCC2=C(C1)C(F)=C(F)C=C2 Y11802 [0,2,0,0,0,0|1,0,0]=3 594 B14R2.4513 O=C1COC2=C(N1)C(Cl)=C(Br)C=C2 90447 [0,2,0,0,0,0|2,0,0]=4 595 B14R2.4513 O=C1COC2=C(N1)C(F)=C(Br)C=C2 90426 [0,2,0,0,0,0|2,0,0]=4 596 B14R2.8038 CN1C(=O)CCC2=C(Cl)C=CC=C21 66295 [0,2,0,0,0,0|1,0,0]=3 597 B14R2.8188 O=C1OC2=C(C=CC=C2)C(Br)C1Br 56107 [0,2,0,0,0,0|0,0,0]=2 598 B14R2.28523 CN1C(=O)COC2=C1C(N)=CC=C2 79132 [0,2,0,0,0,0|2,0,0]=4 599 B14R2.29369 CC1=C(Br)C=CC2=C1COC(=O)N2 AC2133 [0,2,0,0,0,0|2,0,0]=4 600 B14R2.29369 CN1C(=O)CCC2=C1C=CC(Br)=C2 P12304 [0,2,0,0,0,0|1,0,0]=3 601 B14R2.29369 CN1C(=O)CNC2=C1C=CC(Cl)=C2 C76579 [0,2,0,0,0,0|2,0,0]=4 602 B14R2.29369 O=C1CCC2=C(C=CC(Br)=C2F)N1 69695 [0,2,0,0,0,0|1,0,0]=3 603 B14R2.134 C#CC1=CC2=C(C=CC(=O)O2)C=C1 T72201 [0,2,0,0,0,0|0,0,2]=4 604 B14R2.134 COC1=CC2=C(C=C1)COC(=O)C2 54447 [0,2,0,0,0,0|2,0,0]=4 605 B14R2.134 N#CC1=CC2=C(C=C1)OCC(=O)N2 54967 [0,2,0,0,0,0|2,0,0]=4 606 B14R2.134 O=C1CCC2=C(C=C(CO)C=C2)N1 D73346 [0,2,0,0,0,0|1,0,0]=3 607 B14R2.134 O=C1COC2=C(C=C(CO)C=C2)N1 88875 [0,2,0,0,0,0|2,0,0]=4 608 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66619 [0,2,0,0,0,0|1,0,1]=4 609 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66629 [0,2,0,0,0,0|1,0,1]=4 610 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50355 [0,2,0,0,0,0|0,0,1]=3 611 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 60392 [0,2,0,0,0,0|1,0,1]=4 612 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 34030 [0,2,0,0,0,0|1,0,1]=4 613 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 C76042 [0,2,0,0,0,0|2,0,0]=4 614 B14R2.2332 COC1=CC2=C(C=C1)OC(=O)CC2 D94611 [0,2,0,0,0,0|0,0,0]=2 615 B14R2.2332 COC1=NC2=C(C=C1)CC(=O)CC2 84039 [0,2,0,0,0,0|2,0,0]=4 616 B14R2.8239 CC1=CC2=C(C=C(O)C=C2)OC1=O C90473 [0,2,0,0,0,0|0,0,2]=4 617 B14R2.8239 CN1CC2=C(C=CC(Br)=C2)OC1=O D83433 [0,2,0,0,0,0|1,0,0]=3 618 B14R2.8239 CN1CC2=C(C=CC(N)=C2)CC1=O 85540 [0,2,0,0,0,0|2,0,0]=4 619 B14R2.8239 C[C@@H]1OC2=C(C=C(Cl)C=C2)NC1=O 77317 [0,2,0,0,0,0|2,0,0]=4 620 B14R2.8239 C[C@@H]1OC2=C(C=CC(Br)=C2)NC1=O 77195 [0,2,0,0,0,0|2,0,0]=4 621 B14R2.8239 C[C@H]1CC2=C(C=CC(Cl)=C2)NC1=O P16868 [0,2,0,0,0,0|1,0,0]=3 622 B14R2.8239 NC1=CC2=C(C=C(O)C=C2)OC1=O O10941 [0,2,0,0,0,0|0,0,2]=4 623 B14R2.8239 O=C1CCC2=CC(Br)=C(Cl)C=C2N1 69686 [0,2,0,0,0,0|1,0,0]=3 624 B14R2.8239 O=C1CCC2=CC(Br)=C(F)C=C2N1 69690 [0,2,0,0,0,0|1,0,0]=3 625 B14R2.8239 O=C1CCC2=CC(Cl)=C(Cl)C=C2C1 Y11803 [0,2,0,0,0,0|1,0,0]=3 626 B14R2.8239 O=C1CCC2=CC(F)=C(Br)C=C2C1 Y14515 [0,2,0,0,0,0|1,0,0]=3 627 B14R2.8239 O=C1CCC2=CC(F)=C(F)C=C2C1 Y11629 [0,2,0,0,0,0|1,0,0]=3 628 B14R2.8239 O=C1CNC2=CC(F)=C(Br)C=C2N1 AC4684 [0,2,0,0,0,0|2,0,0]=4 629 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(S)=C2 C14658 [0,2,0,0,0,0|0,0,2]=4 630 B14R2.29365 CC1=CC(Br)=CC2=C1OCC(=O)N2 FD7253 [0,2,0,0,0,0|2,0,0]=4 631 B14R2.29365 CC1=CC2=C(C=C1)C(O)=CC(=O)O2 T71996 [0,2,0,0,0,0|0,0,2]=4 632 B14R2.29365 O=C1C=C(O)C2=C(C=C(F)C=C2)O1 D76211 [0,2,0,0,0,0|0,0,2]=4 633 B14R2.29365 O=C1C=C(O)C2=C(C=C(O)C=C2)O1 T70518 [0,2,0,0,0,0|0,0,2]=4 634 B14R2.29365 O=C1C=CC2=C(C=C(O)C=C2O)O1 25172 [0,2,0,0,0,0|0,0,2]=4 635 B14R2.29365 O=C1CCC2=C(Br)C=C(Br)C=C2C1 F16931 [0,2,0,0,0,0|1,0,0]=3 636 B14R2.29365 O=C1CCC2=C(F)C=C(F)C=C2C1 Y11592 [0,2,0,0,0,0|1,0,0]=3 637 B14R2.8045 CC1=CC=CC2=C1OC(=O)C=C2O AC1961 [0,2,0,0,0,0|0,0,2]=4 638 B14R2.8045 O=C1C=C(O)C2=CC=CC(F)=C2O1 AC2188 [0,2,0,0,0,0|0,0,2]=4 639 B14R2.8235 C[C@H]1CC(=O)NC2=C1C=C(Cl)C=C2 P16869 [0,2,0,0,0,0|1,0,0]=3 640 B14R2.8235 NC1=CC(F)=C2NC(=O)CCC2=C1 85565 [0,2,0,0,0,0|1,0,0]=3 641 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)O1 T70895 [0,2,0,0,0,0|0,0,2]=4 642 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Cl)=C2)O1 A12216 [0,2,0,0,0,0|0,0,2]=4 643 B14R2.8235 O=C1C=C(O)C2=C(C=CC(F)=C2)O1 C73780 [0,2,0,0,0,0|0,0,2]=4 644 B14R2.8235 O=C1CCC2=CC(Br)=CC(Cl)=C2N1 69682 [0,2,0,0,0,0|1,0,0]=3 645 B14R2.8235 O=C1CCC2=CC(Br)=CC(F)=C2N1 69688 [0,2,0,0,0,0|1,0,0]=3 646 B14R2.8235 O=C1CCC2=CC(Cl)=CC(Cl)=C2C1 Y11739 [0,2,0,0,0,0|1,0,0]=3 647 B14R2.8235 O=C1CCC2=CC(F)=CC(Br)=C2C1 Y14556 [0,2,0,0,0,0|1,0,0]=3 648 B14R2.8235 O=C1CCC2=CC(F)=CC(F)=C2C1 P10316 [0,2,0,0,0,0|1,0,0]=3 649 B14R2.8751 CC1=C2C=CC(=O)OC2=C(O)C=C1 C11425 [0,2,0,0,0,0|0,0,2]=4 650 B14R2.11684 COC1=C2CC(=O)CCC2=CC=C1 63804 [0,2,0,0,0,0|1,0,0]=3 651 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 F19836 [0,2,0,0,0,0|0,0,2]=4 652 B14R2.11684 COC1=C2OC(=O)CCC2=CC=C1 Y11652 [0,2,0,0,0,0|0,0,0]=2 653 B14R2.639 CC1(C)SC2=C(C=CC=C2)NC1=O 77074 [0,2,0,0,0,0|2,0,0]=4 654 B14R2.29496 CC1(C)C[C@H](N)C2=C(C=CC=C2)O1 F53096 [0,2,0,0,0,0|1,0,1]=4 655 B14R2.29496 N[C@H]1CS(=O)(=O)CC2=C1C=CC=C2 SC2381 [0,2,0,0,0,0|2,0,0]=4 656 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 D73288 [0,2,0,0,0,0|0,0,2]=4 657 B14R2.8189 O=C1CS(=O)(=O)C2=C(C=CC=C2)N1 A12379 [0,2,0,0,0,0|2,0,0]=4 658 B14R2.28480 O=C1C=C(O)C2=C(Cl)C=CC=C2O1 AC2063 [0,2,0,0,0,0|0,0,2]=4 659 B14R2.1073 COC1=CC=CC2=C1CCC(=O)O2 Y11653 [0,2,0,0,0,0|0,0,0]=2 660 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [0,0,1,1,0,0|1,0,0]=3 661 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,0,1,1,0,0|1,0,0]=3 662 B12R2.315 CCC1=C2NC=CC2=CC=C1 60975 [0,0,1,1,0,0|2,0,0]=4 663 B12R2.315 OCC1=C2OC=CC2=CC=C1 P12626 [0,0,1,1,0,0|2,0,0]=4 664 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,0,1,1,0,0|1,0,1]=4 665 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,0,1,1,0,0|1,0,1]=4 666 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,0,1,0,1,0|2,0,0]=4 667 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,0,1,0,1,0|1,0,0]=3 668 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,0,1,0,1,0|0,0,2]=4 669 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,0,1,0,1,0|2,0,0]=4 670 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,0,1,0,1,0|2,0,0]=4 671 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,0,1,0,1,0|1,0,1]=4 672 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,0,1,0,1,0|0,0,2]=4 673 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,0,1,0,1,0|0,0,2]=4 674 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,0,1,0,1,0|2,0,0]=4 675 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,0,1,0,1,0|2,0,0]=4 676 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,0,1,0,1,0|2,0,0]=4 677 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,0,1,0,1,0|2,0,0]=4 678 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,0,1,0,1,0|1,0,0]=3 679 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [0,0,1,0,1,0|2,0,0]=4 680 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,0,1,0,1,0|2,0,0]=4 681 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,0,1,0,1,0|2,0,0]=4 682 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [0,0,1,0,1,0|2,0,0]=4 683 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,0,1,0,1,0|2,0,0]=4 684 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,0,1,0,1,0|2,0,0]=4 685 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,0,1,0,1,0|2,0,0]=4 686 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,0,1,0,1,0|2,0,0]=4 687 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,0,1,0,1,0|2,0,0]=4 688 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,0,1,0,1,0|2,0,0]=4 689 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [0,0,1,0,1,0|2,0,0]=4 690 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,0,1,0,1,0|2,0,0]=4 691 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [0,0,1,0,1,0|2,0,0]=4 692 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [0,0,1,0,1,0|2,0,0]=4 693 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,0,1,0,1,0|1,0,1]=4 694 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,0,1,0,1,0|1,0,1]=4 695 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,0,1,0,1,0|1,0,1]=4 696 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,0,1,0,1,0|1,0,1]=4 697 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,0,1,0,1,0|1,0,0]=3 698 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,0,1,0,1,0|1,0,0]=3 699 B10R1.66 O=C(O)CCC1=CN=CN1 28308 [0,0,1,0,1,0|2,0,0]=4 700 B10R1.66 O=C(O)CCC1=CN=CS1 97779 [0,0,1,0,1,0|2,0,0]=4 701 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [0,0,1,0,1,0|1,0,0]=3 702 B10R1.66 O=C(O)CCC1=CNN=C1 71939 [0,0,1,0,1,0|2,0,0]=4 703 B10R1.66 O=C(O)CCC1=NC=CN1 69195 [0,0,1,0,1,0|2,0,0]=4 704 B10R1.66 O=C(O)CCC1=NC=CN1 69196 [0,0,1,0,1,0|2,0,0]=4 705 B10R1.66 O=C(O)CCC1=NC=CS1 69864 [0,0,1,0,1,0|2,0,0]=4 706 B10R1.66 O=C(O)CCN1C=CC=N1 30854 [0,0,1,0,1,0|2,0,0]=4 707 B10R2.7 C1=CC2=C(C=CO2)N=C1 BL002594 [1,0,0,0,1,0|1,0,1]=4 708 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [1,0,0,0,1,0|2,0,0]=4 709 B10R2.7 C1=CC2=C(C=N1)N=CO2 C74415 [1,0,0,0,1,0|2,0,0]=4 710 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [1,0,0,0,1,0|2,0,0]=4 711 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [1,0,0,0,1,0|2,0,0]=4 712 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [1,0,0,0,1,0|2,0,0]=4 713 B10R2.7 C1=CN=C2CCNC2=C1 70854 [1,0,0,0,1,0|2,0,0]=4 714 B10R2.7 C1=CN=C2OC=CC2=C1 N13064 [1,0,0,0,1,0|1,0,1]=4 715 B10R2.7 C1=CN=C2OC=NC2=C1 32393 [1,0,0,0,1,0|2,0,0]=4 716 B10R2.32 O=C1CCN2C=CN=C12 W18257 [0,0,0,0,2,0|2,0,0]=4 717 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,0,0,0,2,0|0,0,0]=2 718 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,0,1,0,0,1|1,0,0]=3 719 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [0,0,1,0,0,1|1,0,0]=3 720 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [0,0,1,0,0,1|1,0,0]=3