0 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 B3879 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 B36929 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 B47544 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 B47545 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,0,0,0,0,0|2,0,1]=3 9 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 C9355 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 C50850 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.24 ClC1=CC2=CC=CC=C2N=N1 C47551 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 C36711 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 C19911 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [0,0,0,0,0,0|2,0,2]=4 15 B12R2.24 FC1=CC2=CC=CC=C2C=N1 F38996 [0,0,0,0,0,0|3,0,1]=4 16 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [0,0,0,0,0,0|2,0,2]=4 17 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [0,0,0,0,0,0|2,0,2]=4 18 B12R2.24 NC1=CC2=CC=CC=C2C=N1 Q51338 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [0,0,0,0,0,0|2,0,2]=4 20 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,0,0,0,0,0|2,0,1]=3 21 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [0,0,0,0,0,0|3,0,1]=4 22 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,0,0,0,0,0|2,0,1]=3 23 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,0,0,0,0,0|2,0,1]=3 24 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [0,0,0,0,0,0|3,0,1]=4 25 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 N37672 [0,0,0,0,0,0|2,0,2]=4 26 B12R2.24 O=C1C=CC2=CC=CNC2=N1 N0688 [0,0,0,0,0,0|2,0,2]=4 27 B12R2.24 O=C1C=NC2=CC=CN=C2N1 P44866 [0,0,0,0,0,0|3,0,1]=4 28 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,0,0,0,0,0|2,0,0]=2 29 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,0,0,0,0,0|1,0,0]=1 30 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 D13325 [0,0,0,0,0,0|2,0,0]=2 31 B12R2.24 O=C1CCC2=CC=CN=C2N1 D0689 [0,0,0,0,0,0|2,0,0]=2 32 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,0,0,0,0,0|2,0,0]=2 33 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,0,0,0,0,0|1,0,0]=1 34 B12R2.24 O=C1COC2=C(C=CC=N2)N1 P61000 [0,0,0,0,0,0|3,0,0]=3 35 B12R2.24 O=C1COC2=CC=CN=C2N1 P38148 [0,0,0,0,0,0|3,0,0]=3 36 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,0,0,0,0,0|2,0,0]=2 37 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [0,0,0,0,0,0|2,0,2]=4 38 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [0,0,0,0,0,0|2,0,2]=4 39 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [0,0,0,0,0,0|2,0,2]=4 40 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,0,0,0,0,0|1,0,2]=3 41 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [0,0,0,0,0,0|2,0,2]=4 42 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [1,0,0,0,0,0|2,0,0]=3 43 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [1,0,0,0,0,0|1,0,1]=3 44 B11R2.20 C1=CC2=C(C=C1)NCCN2 T46643 [1,0,0,0,0,0|2,0,1]=4 45 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [1,0,0,0,0,0|0,0,1]=2 46 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [1,0,0,0,0,0|1,0,1]=3 47 B11R2.20 C1=CC2=C(C=C1)SCCN2 D38749 [1,0,0,0,0,0|1,1,1]=4 48 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [1,0,0,0,0,0|2,0,1]=4 49 B11R2.20 C1=CC2=C(C=N1)CCCN2 T13324 [1,0,0,0,0,0|2,0,1]=4 50 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [1,0,0,0,0,0|3,0,0]=4 51 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.20 C1=CC2=C(N=C1)NCCO2 D45987 [1,0,0,0,0,0|2,0,1]=4 55 B11R2.20 C1=CC=C2C=NC=CC2=C1 Q68586 [1,0,0,0,0,0|2,0,1]=4 56 B11R2.20 C1=CC=C2N=CC=NC2=C1 Q69216 [1,0,0,0,0,0|2,0,1]=4 57 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [1,0,0,0,0,0|2,0,1]=4 58 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [1,0,0,0,0,0|2,0,1]=4 59 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [1,0,0,0,0,0|3,0,0]=4 61 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [1,0,0,0,0,0|3,0,0]=4 63 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [1,0,0,0,0,0|3,0,0]=4 64 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [1,0,0,0,0,0|3,0,0]=4 65 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [1,0,0,0,0,0|2,0,1]=4 66 B11R2.20 C1=CN=C2OCCNC2=C1 D13943 [1,0,0,0,0,0|2,0,1]=4 67 B11R2.20 C1=CN=C2OCCOC2=C1 D32153 [1,0,0,0,0,0|2,0,1]=4 68 B13R2.32 C[C@H]1CCC2=C(C=CC=C2)C1=O M54547 [0,1,0,0,0,0|2,0,1]=4 69 B13R2.32 NC1CCC2=C(C=CC=C2)C1O A37316 [0,1,0,0,0,0|2,0,1]=4 70 B13R2.32 O=C1C2=C(C=CC=C2)CC[C@@H]1Br B54045 [0,1,0,0,0,0|2,0,1]=4 71 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 C54146 [0,1,0,0,0,0|1,0,1]=3 72 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 C54148 [0,1,0,0,0,0|1,0,1]=3 73 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 N64900 [0,1,0,0,0,0|1,0,2]=4 74 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 I3896 [0,1,0,0,0,0|2,0,1]=4 75 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 F1406 [0,1,0,0,0,0|2,0,1]=4 76 B13R2.57 O=C[C@@H]1COC2=C(C=CC=C2)O1 D36985 [0,1,0,0,0,0|1,0,1]=3 77 B13R2.57 OC[C@H]1CCC2=C(C=CC=C2)N1 T36847 [0,1,0,0,0,0|1,0,2]=4 78 B13R2.155 CC1=CC2=C(C=CC(=O)O2)C=C1 M61105 [0,1,0,0,0,0|0,0,2]=3 79 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 A11338 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.155 NC1=CC2=C(C=C1)N=CC(=O)N2 A48394 [0,1,0,0,0,0|2,0,1]=4 81 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 A48823 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=C1 A51352 [0,1,0,0,0,0|1,0,2]=4 83 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52728 [0,1,0,0,0,0|2,0,1]=4 84 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52740 [0,1,0,0,0,0|2,0,1]=4 85 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 F52752 [0,1,0,0,0,0|2,0,1]=4 86 B13R2.155 O=C1C=C2C=C(Cl)C=CC2=CN1 C50935 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.155 O=C1C=CC2=C(C=C(Br)C=C2)N1 B27007 [0,1,0,0,0,0|1,0,2]=4 88 B13R2.155 O=C1C=CC2=C(C=C(Br)C=C2)O1 B50763 [0,1,0,0,0,0|0,0,2]=3 89 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)N1 C67752 [0,1,0,0,0,0|1,0,2]=4 90 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)O1 F50771 [0,1,0,0,0,0|0,0,2]=3 91 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 H24988 [0,1,0,0,0,0|1,0,2]=4 92 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 B47607 [0,1,0,0,0,0|2,0,1]=4 93 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 B64111 [0,1,0,0,0,0|1,0,0]=2 94 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)N1 B51516 [0,1,0,0,0,0|1,0,0]=2 95 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)C1 C64118 [0,1,0,0,0,0|1,0,0]=2 96 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)N1 C51528 [0,1,0,0,0,0|1,0,0]=2 97 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)C1 F64116 [0,1,0,0,0,0|1,0,0]=2 98 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 F61588 [0,1,0,0,0,0|1,0,0]=2 99 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 H52439 [0,1,0,0,0,0|1,0,0]=2 100 B13R2.155 O=C1CNC2=NC=C(I)C=C2N1 K45307 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 B22569 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 C38409 [0,1,0,0,0,0|2,0,0]=3 103 B13R2.155 O=C1COC2=C(N=C(Br)C=C2)N1 B32200 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.155 O=C1COC2=NC=C(Br)C=C2N1 B32416 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.155 O=C1NCC2=C(C=C(Br)C=C2)N1 B37490 [0,1,0,0,0,0|2,0,0]=3 106 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2O1 B50765 [0,1,0,0,0,0|0,0,2]=3 107 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 F50947 [0,1,0,0,0,0|1,0,2]=4 108 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 H64549 [0,1,0,0,0,0|0,0,2]=3 109 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 B64112 [0,1,0,0,0,0|1,0,0]=2 110 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 C65515 [0,1,0,0,0,0|1,0,0]=2 111 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2N1 C51529 [0,1,0,0,0,0|1,0,0]=2 112 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 F65022 [0,1,0,0,0,0|1,0,0]=2 113 B13R2.162 O=C1COC2=C(N1)C(O)=CC=C2 H48506 [0,1,0,0,0,0|2,0,0]=3 114 B13R2.162 O=C1COC2=CC=CC(F)=C2N1 F62620 [0,1,0,0,0,0|2,0,0]=3 115 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 D54824 [0,1,0,0,0,0|2,0,1]=4 116 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 A51343 [0,1,0,0,0,0|1,0,2]=4 117 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 B38904 [0,1,0,0,0,0|1,0,2]=4 118 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 C50932 [0,1,0,0,0,0|1,0,2]=4 119 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 C63746 [0,1,0,0,0,0|0,0,2]=3 120 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 D69317 [0,1,0,0,0,0|1,0,2]=4 121 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)N1 Q51171 [0,1,0,0,0,0|1,0,1]=3 122 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Q67745 [0,1,0,0,0,0|2,0,1]=4 123 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [0,1,0,0,0,0|2,0,1]=4 124 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 B65464 [0,1,0,0,0,0|2,0,1]=4 125 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O M0672 [0,1,0,0,0,0|2,0,0]=3 126 B13R2.369 C[C@@H]1OC2=C(C=CC=C2)NC1=O M51787 [0,1,0,0,0,0|2,0,0]=3 127 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O A7976 [0,1,0,0,0,0|1,0,1]=3 128 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl C11394 [0,1,0,0,0,0|2,0,1]=4 129 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O H47728 [0,1,0,0,0,0|1,0,1]=3 130 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 M54237 [0,1,0,0,0,0|3,0,0]=4 131 B13R2.3683 CN1CCC2=C(C=CC(O)=C2)C1 M52933 [0,1,0,0,0,0|3,0,0]=4 132 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=N2 A48393 [0,1,0,0,0,0|2,0,1]=4 133 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 A22440 [0,1,0,0,0,0|1,0,0]=2 134 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 B52726 [0,1,0,0,0,0|2,0,1]=4 135 B13R2.3683 O=C1C=C2C=CC(Cl)=CC2=CN1 C50936 [0,1,0,0,0,0|2,0,1]=4 136 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)N1 B1071 [0,1,0,0,0,0|1,0,2]=4 137 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)O1 B50762 [0,1,0,0,0,0|0,0,2]=3 138 B13R2.3683 O=C1C=CC2=C(C=CC(O)=C2)N1 H38004 [0,1,0,0,0,0|1,0,2]=4 139 B13R2.3683 O=C1CC2=C(C=C(Br)C=C2)CN1 B38863 [0,1,0,0,0,0|2,0,0]=3 140 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)C1 B64120 [0,1,0,0,0,0|1,0,0]=2 141 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)N1 B51515 [0,1,0,0,0,0|1,0,0]=2 142 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 B36742 [0,1,0,0,0,0|0,0,0]=1 143 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)C1 C64119 [0,1,0,0,0,0|1,0,0]=2 144 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 F54058 [0,1,0,0,0,0|1,0,0]=2 145 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)N1 K64039 [0,1,0,0,0,0|1,0,0]=2 146 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)O1 K51271 [0,1,0,0,0,0|0,0,0]=1 147 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)C1 H52422 [0,1,0,0,0,0|1,0,0]=2 148 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)N1 H39575 [0,1,0,0,0,0|1,0,0]=2 149 B13R2.3683 O=C1CCC2=CC(Br)=CN=C2N1 B18491 [0,1,0,0,0,0|2,0,0]=3 150 B13R2.3683 O=C1CNC2=C(C=CC(Br)=C2)N1 B61857 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.3683 O=C1COC2=C(C=CC(Br)=C2)N1 B47992 [0,1,0,0,0,0|2,0,0]=3 152 B13R2.3683 O=C1COC2=CC(Br)=CN=C2N1 B44808 [0,1,0,0,0,0|3,0,0]=4 153 B13R2.3683 O=C1N=CC2=C(C=CC(Br)=C2)N1 B10857 [0,1,0,0,0,0|2,0,1]=4 154 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 B10855 [0,1,0,0,0,0|2,0,0]=3 155 B13R2.3683 O=C1NCC2=C(C=CC(Br)=C2)N1 B48362 [0,1,0,0,0,0|2,0,0]=3 156 B13R2.3683 O[C@H]1CCC2=C(C=CC(Br)=C2)C1 B37785 [0,1,0,0,0,0|1,0,2]=4 157 B13R2.5179 CC1=CC=CC2=C1CCC(=O)N2 M61929 [0,1,0,0,0,0|1,0,0]=2 158 B13R2.5179 CN1CCC2=C(O)C=CC=C2C1 M52932 [0,1,0,0,0,0|3,0,0]=4 159 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 C64042 [0,1,0,0,0,0|2,0,1]=4 160 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 B50916 [0,1,0,0,0,0|1,0,2]=4 161 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 H51173 [0,1,0,0,0,0|1,0,2]=4 162 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2N1 B51514 [0,1,0,0,0,0|1,0,0]=2 163 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 H51785 [0,1,0,0,0,0|1,0,0]=2 164 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 C64114 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,0,1,0,0,0|2,0,1]=4 166 B11R1.17 O=C\C=C\C1=C(Cl)C=CC=C1 C51320 [0,0,1,0,0,0|1,0,2]=4 167 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [0,0,1,0,0,0|1,0,2]=4 168 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [0,0,1,0,0,0|1,0,2]=4 169 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,0,1,0,0,0|0,0,2]=3 170 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,0,1,0,0,0|3,0,0]=4 171 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [0,0,1,0,0,0|3,0,0]=4 172 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,0,1,0,0,0|3,0,0]=4 173 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,0,1,0,0,0|3,0,0]=4 174 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,0,1,0,0,0|1,0,0]=2 175 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,0,1,0,0,0|2,0,0]=3 176 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,0,1,0,0,0|2,0,0]=3 177 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,0,1,0,0,0|1,0,0]=2 178 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,0,1,0,0,0|2,0,0]=3 179 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,0,1,0,0,0|2,0,0]=3 180 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,0,1,0,0,0|2,0,0]=3 181 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,0,1,0,0,0|2,0,0]=3 182 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 K63586 [0,0,1,0,0,0|3,0,0]=4 183 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,0,1,0,0,0|2,0,0]=3 184 B11R1.86 CC(=O)NC1=NC=CC=C1O H46007 [0,0,1,0,0,0|3,0,0]=4 185 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [0,0,1,0,0,0|2,0,1]=4 186 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [0,0,1,0,0,0|2,0,1]=4 187 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,0,1,0,0,0|2,0,0]=3 188 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,0,1,0,0,0|3,0,0]=4 189 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [0,0,1,0,0,0|3,0,0]=4 190 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [0,0,1,0,0,0|3,0,0]=4 191 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [0,0,1,0,0,0|3,0,0]=4 192 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,0,1,0,0,0|3,0,0]=4 193 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,0,1,0,0,0|1,0,2]=4 194 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,0,1,0,0,0|2,0,0]=3 195 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,0,1,0,0,0|2,0,0]=3 196 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,0,1,0,0,0|1,0,2]=4 197 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,0,1,0,0,0|1,0,0]=2 198 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [0,0,1,0,0,0|0,0,2]=3 199 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [0,0,1,0,0,0|1,0,2]=4 200 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [0,0,1,0,0,0|1,0,2]=4 201 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [0,0,1,0,0,0|1,0,2]=4 202 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [0,0,1,0,0,0|2,0,0]=3 203 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,0,1,0,0,0|1,0,0]=2 204 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,0,1,0,0,0|1,0,0]=2 205 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,0,1,0,0,0|2,0,0]=3 206 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [0,0,1,0,0,0|2,0,0]=3 207 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,0,1,0,0,0|2,0,0]=3 208 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [0,0,1,0,0,0|2,0,0]=3 209 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,0,1,0,0,0|0,0,2]=3 210 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [0,0,1,0,0,0|1,0,2]=4 211 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [0,0,1,0,0,0|1,0,2]=4 212 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,0,1,0,0,0|1,0,1]=3 213 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,0,1,0,0,0|1,0,1]=3 214 B11R2.1 BrC1=COC2=C1C=CC=C2 B47829 [0,0,0,0,1,0|2,0,1]=4 215 B11R2.1 BrC1=CSC2=C1C=CC=C2 B47535 [0,0,0,0,1,0|2,0,1]=4 216 B11R2.1 BrC1=NNC2=C1C=CC=C2 B0436 [0,0,0,0,1,0|3,0,0]=4 217 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [0,0,0,0,1,0|1,0,1]=3 218 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [0,0,0,0,1,0|2,0,1]=4 219 B11R2.1 CC1=NNC2=C1C=CC=C2 M1829 [0,0,0,0,1,0|3,0,0]=4 220 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [0,0,0,0,1,0|3,0,0]=4 221 B11R2.1 ClC1=NNC2=C1C=CC=C2 C44767 [0,0,0,0,1,0|3,0,0]=4 222 B11R2.1 ClC1=NOC2=C1C=CC=C2 C44531 [0,0,0,0,1,0|3,0,0]=4 223 B11R2.1 ClC1=NSC2=C1C=CC=C2 C25325 [0,0,0,0,1,0|3,0,0]=4 224 B11R2.1 FC1=NNC2=C1C=CC=C2 F39022 [0,0,0,0,1,0|3,0,0]=4 225 B11R2.1 IC1=NNC2=C1C=CC=C2 X9686 [0,0,0,0,1,0|3,0,0]=4 226 B11R2.1 NC1=NCC2=C1C=CC=C2 K49609 [0,0,0,0,1,0|2,0,0]=3 227 B11R2.1 NC1=NCC2=C1C=CC=C2 K64548 [0,0,0,0,1,0|2,0,0]=3 228 B11R2.1 NC1=NOC2=C1C=CC=C2 B45214 [0,0,0,0,1,0|3,0,0]=4 229 B11R2.1 NC1=NSC2=C1C=CC=C2 B69175 [0,0,0,0,1,0|3,0,0]=4 230 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,0,0,0,1,0|1,0,1]=3 231 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,0,0,0,1,0|1,0,1]=3 232 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,0,0,0,1,0|1,0,1]=3 233 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,0,0,0,1,0|2,0,1]=4 234 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,0,0,0,1,0|1,0,0]=2 235 B11R2.1 O=C1CCC2=C1C=CN=C2 C23220 [0,0,0,0,1,0|1,0,0]=2 236 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [0,0,0,0,1,0|1,0,0]=2 237 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,0,0,0,1,0|1,0,0]=2 238 B11R2.1 O=C1COC2=C1C=CN=C2 F37015 [0,0,0,0,1,0|2,0,0]=3 239 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [0,0,0,0,1,0|1,0,0]=2 240 B11R2.1 O=C1NCC2=C1C=CC=N2 D45227 [0,0,0,0,1,0|2,0,0]=3 241 B11R2.1 O=C1NCC2=C1C=NC=C2 D1721 [0,0,0,0,1,0|2,0,0]=3 242 B11R2.1 O=C1NN=C2C=CC=CN12 T42480 [0,0,0,0,1,0|3,0,0]=4 243 B11R2.1 O=C1NNC2=C1C=CC=N2 P42478 [0,0,0,0,1,0|3,0,0]=4 244 B11R2.1 O=C1NNC2=C1C=CN=C2 P42479 [0,0,0,0,1,0|3,0,0]=4 245 B11R2.1 O=C1OCC2=C1C=CC=N2 F44926 [0,0,0,0,1,0|2,0,0]=3 246 B11R2.1 O=[S@]1C=NC2=C1C=CC=C2 B45069 [0,0,0,0,1,0|2,0,1]=4 247 B11R2.1 OB1OCC2=C1C=CC=C2 H3680 [0,0,0,0,1,0|2,0,1]=4 248 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,0,0,0,1,0|0,0,2]=3 249 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,0,0,0,1,0|0,0,2]=3 250 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,0,0,0,1,0|0,0,2]=3 251 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,0,0,0,1,0|1,0,2]=4 252 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [0,0,0,0,1,0|2,0,0]=3 253 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 B47828 [0,0,0,0,1,0|1,0,1]=3 254 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 B47534 [0,0,0,0,1,0|1,1,1]=4 255 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 B36657 [0,0,0,0,1,0|3,0,0]=4 256 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 B44414 [0,0,0,0,1,0|2,1,0]=4 257 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,0,0,0,1,0|2,0,1]=4 258 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [0,0,0,0,1,0|2,0,0]=3 259 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [0,0,0,0,1,0|2,0,1]=4 260 B11R2.10 CC1=CC2=C(C=CC=C2)S1 M51663 [0,0,0,0,1,0|1,1,1]=4 261 B11R2.10 CC1=NC2=C(C=CC=C2)O1 M63131 [0,0,0,0,1,0|2,0,0]=3 262 B11R2.10 CC1=NC2=C(C=CC=C2)S1 M39486 [0,0,0,0,1,0|2,1,0]=4 263 B11R2.10 CC1=NC2=C(C=CC=N2)O1 M38652 [0,0,0,0,1,0|3,0,0]=4 264 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,0,0,0,1,0|2,0,1]=4 265 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,0,0,0,1,0|2,0,1]=4 266 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [0,0,0,0,1,0|2,0,1]=4 267 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 C39352 [0,0,0,0,1,0|3,0,0]=4 268 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 C44527 [0,0,0,0,1,0|2,0,0]=3 269 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 C39328 [0,0,0,0,1,0|2,1,0]=4 270 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C38306 [0,0,0,0,1,0|3,0,0]=4 271 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C41854 [0,0,0,0,1,0|3,0,0]=4 272 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [0,0,0,0,1,0|2,0,1]=4 273 B11R2.10 IC1=NC2=C(C=CC=C2)S1 K44444 [0,0,0,0,1,0|2,1,0]=4 274 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [0,0,0,0,1,0|1,1,1]=4 275 B11R2.10 NC1=NC2=C(C=CC=C2)N1 K64925 [0,0,0,0,1,0|3,0,0]=4 276 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [0,0,0,0,1,0|2,0,0]=3 277 B11R2.10 NC1=NC2=C(C=CN=C2)O1 X42470 [0,0,0,0,1,0|3,0,0]=4 278 B11R2.10 NC1=NC2=C(C=NC=C2)O1 X42471 [0,0,0,0,1,0|3,0,0]=4 279 B11R2.10 O=C1C=C2C=CC=CN2N1 P45223 [0,0,0,0,1,0|2,0,1]=4 280 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,0,0,0,1,0|1,0,0]=2 281 B11R2.10 O=C1CC2=C(C=CC=N2)N1 D0382 [0,0,0,0,1,0|2,0,0]=3 282 B11R2.10 O=C1CC2=C(C=CN=C2)N1 D0077 [0,0,0,0,1,0|2,0,0]=3 283 B11R2.10 O=C1CC2=C(C=NC=C2)N1 D0383 [0,0,0,0,1,0|2,0,0]=3 284 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D0034 [0,0,0,0,1,0|2,0,0]=3 285 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D15765 [0,0,0,0,1,0|2,0,0]=3 286 B11R2.10 O=C1CC2=C(N=CN=C2)N1 D10956 [0,0,0,0,1,0|3,0,0]=4 287 B11R2.10 O=C1CN2C=CC=CC2=N1 K46529 [0,0,0,0,1,0|2,0,0]=3 288 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [0,0,0,0,1,0|2,0,0]=3 289 B11R2.10 O=C1NC2=C(C=CC=N2)O1 X39239 [0,0,0,0,1,0|2,0,0]=3 290 B11R2.10 O=C1NC2=C(C=CC=N2)S1 T42138 [0,0,0,0,1,0|2,1,0]=4 291 B11R2.10 O=C1NC2=C(C=NC=C2)N1 I38762 [0,0,0,0,1,0|3,0,0]=4 292 B11R2.10 O=C1NC2=C(N=CC=C2)N1 K42475 [0,0,0,0,1,0|3,0,0]=4 293 B11R2.10 O=C1OC2=C(C=CC=C2)O1 B44621 [0,0,0,0,1,0|1,0,0]=2 294 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,0,0,0,1,0|1,0,2]=4 295 B11R2.10 S=C1NC2=C(C=CC=C2)N1 B69662 [0,0,0,0,1,0|2,1,0]=4 296 B11R2.10 S=C1NC2=C(C=CC=C2)S1 B69039 [0,0,0,0,1,0|1,2,0]=4 297 B11R2.10 S=C1NC2=C(C=CC=N2)O1 X42139 [0,0,0,0,1,0|2,1,0]=4 298 B11R2.10 SC1=NC2=C(C=CC=N2)O1 X42137 [0,0,0,0,1,0|2,1,0]=4 299 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 D54551 [0,0,0,0,0,1|1,0,0]=2 300 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 D52553 [0,0,0,0,0,1|1,0,0]=2 301 B13R2.163 O=C1CCCC2=CC=CN=C2N1 D49730 [0,0,0,0,0,1|2,0,0]=3 302 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,0,1,0,0,0|1,0,1]=4 303 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,0,1,0,0,0|1,0,1]=4 304 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [1,0,1,0,0,0|1,0,1]=4 305 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,0,1,0,0,0|2,0,0]=4 306 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,0,1,0,0,0|2,0,0]=4 307 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,0,1,0,0,0|0,0,1]=3 308 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,0,1,0,0,0|2,0,0]=4 309 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,0,1,0,0,0|2,0,0]=4 310 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,0,1,0,0,0|1,0,1]=4 311 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,0,1,0,0,0|1,0,1]=4 312 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [1,0,1,0,0,0|0,0,2]=4 313 B10R1.17 OCCCC1=CC=NC=C1 P46905 [1,0,1,0,0,0|1,0,1]=4 314 B10R1.17 OCCCC1=NC=CC=C1 P62447 [1,0,1,0,0,0|1,0,1]=4 315 B10R1.17 OCCCC1=NC=CC=C1 P7829 [1,0,1,0,0,0|1,0,1]=4 316 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,0,1,0,0,0|1,0,1]=4 317 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,0,1,0,0,0|1,0,1]=4 318 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [1,0,1,0,0,0|1,0,1]=4 319 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,0,1,0,0,0|2,0,0]=4 320 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,0,1,0,0,0|1,0,1]=4 321 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,0,1,0,0,0|1,0,1]=4 322 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,0,1,0,0,0|2,0,0]=4 323 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,0,1,0,0,0|2,0,0]=4 324 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,0,1,0,0,0|1,0,0]=3 325 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,0,1,0,0,0|1,0,1]=4 326 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,0,1,0,0,0|1,0,1]=4 327 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,0,1,0,0,0|1,0,1]=4 328 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,0,1,0,0,0|1,0,1]=4 329 B10R1.20 C#CC1=C(C=O)C=CC=C1 E67701 [1,0,1,0,0,0|0,0,2]=4 330 B10R1.20 C=CC1=C(C=O)C=CC=C1 V51543 [1,0,1,0,0,0|0,0,2]=4 331 B10R1.20 C=CC1=C(CO)C=CC=C1 V49872 [1,0,1,0,0,0|2,0,0]=4 332 B10R1.20 CCC1=C(C=O)C=CC=C1 E49869 [1,0,1,0,0,0|0,0,0]=2 333 B10R1.20 CCC1=C(CO)C=CC=C1 E50269 [1,0,1,0,0,0|0,0,2]=4 334 B10R1.20 CNC1=C(C=O)C=CC=C1 M49260 [1,0,1,0,0,0|1,0,0]=3 335 B10R1.20 CNC1=C(C=O)C=CC=N1 M45978 [1,0,1,0,0,0|2,0,0]=4 336 B10R1.20 CNC1=C(OC)C=CC=C1 M46897 [1,0,1,0,0,0|1,0,1]=4 337 B10R1.20 COC1=C(C=O)C=CC=C1 A69129 [1,0,1,0,0,0|1,0,0]=3 338 B10R1.20 COC1=C(C=O)C=CC=N1 M4987 [1,0,1,0,0,0|2,0,0]=4 339 B10R1.20 COC1=C(C=O)C=CN=C1 M32191 [1,0,1,0,0,0|2,0,0]=4 340 B10R1.20 COC1=C(C=O)C=NC=C1 M45822 [1,0,1,0,0,0|2,0,0]=4 341 B10R1.20 COC1=C(CN)C=CC=C1 M46906 [1,0,1,0,0,0|1,0,1]=4 342 B10R1.20 COC1=C(OC)C=CC=C1 D64830 [1,0,1,0,0,0|1,0,1]=4 343 B10R1.20 COC1=CC=CN=C1C=O M3691 [1,0,1,0,0,0|2,0,0]=4 344 B10R1.20 N#CC1=C(C=O)C=CC=C1 C38451 [1,0,1,0,0,0|1,0,1]=4 345 B10R1.20 O=CC1=C(C=O)C=CC=C1 B68577 [1,0,1,0,0,0|1,0,1]=4 346 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [1,0,1,0,0,0|2,0,0]=4 347 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,0,1,0,0,0|2,0,0]=4 348 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,0,1,0,0,0|1,0,0]=3 349 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [1,0,1,0,0,0|2,0,0]=4 350 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,0,1,0,0,0|2,0,0]=4 351 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,0,1,0,0,0|2,0,0]=4 352 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,0,1,0,0,0|1,0,0]=3 353 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [1,0,1,0,0,0|1,1,0]=4 354 B12R1.121 COC1=C(CCC=O)C=CC=C1 M52790 [0,1,1,0,0,0|0,0,0]=2 355 B12R1.121 COC1=C(CCCO)C=CC=C1 M53089 [0,1,1,0,0,0|0,0,2]=4 356 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,1,1,0,0,0|1,0,0]=3 357 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,1,1,0,0,0|1,0,0]=3 358 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [0,1,1,0,0,0|2,0,0]=4 359 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,1,1,0,0,0|1,0,0]=3 360 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,1,1,0,0,0|1,0,0]=3 361 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,1,1,0,0,0|1,0,0]=3 362 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,1,1,0,0,0|1,0,0]=3 363 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [0,1,1,0,0,0|2,0,0]=4 364 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,1,1,0,0,0|2,0,0]=4 365 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,1,1,0,0,0|0,0,2]=4 366 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 B65350 [0,1,1,0,0,0|2,0,0]=4 367 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,1,1,0,0,0|1,0,0]=3 368 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E50031 [0,1,1,0,0,0|2,0,0]=4 369 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E50053 [0,1,1,0,0,0|2,0,0]=4 370 B12R1.32 CCOC(=O)CC1=NC=CC=C1 E22770 [0,1,1,0,0,0|2,0,0]=4 371 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 E52267 [0,1,1,0,0,0|2,0,0]=4 372 B12R1.32 CCOC(=O)NC1=CC=NC=C1 E60949 [0,1,1,0,0,0|2,0,0]=4 373 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 C51350 [0,1,1,0,0,0|1,0,1]=4 374 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [0,1,1,0,0,0|2,0,0]=4 375 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [0,1,1,0,0,0|2,0,0]=4 376 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [0,1,1,0,0,0|2,0,0]=4 377 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [0,1,1,0,0,0|2,0,0]=4 378 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [0,1,1,0,0,0|2,0,0]=4 379 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [0,1,1,0,0,0|2,0,0]=4 380 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [0,1,1,0,0,0|2,0,0]=4 381 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 A54150 [0,1,1,0,0,0|1,0,0]=3 382 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 B51880 [0,1,1,0,0,0|1,0,0]=3 383 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 M64892 [0,1,1,0,0,0|2,0,0]=4 384 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M69051 [0,1,1,0,0,0|2,0,0]=4 385 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 M66295 [0,1,1,0,0,0|2,0,0]=4 386 B12R1.75 NCC1=C(CC(=O)O)C=CC=C1 A69642 [0,1,1,0,0,0|2,0,0]=4 387 B12R1.75 O=C(O)CC1=C(CCl)C=CC=C1 C51930 [0,1,1,0,0,0|2,0,0]=4 388 B12R1.127 CC(=O)NC1=C(C)C=CC(F)=C1 A49862 [0,1,1,0,0,0|1,0,0]=3 389 B12R1.127 CC(=O)NC1=C(I)C=CC(F)=C1 F48552 [0,1,1,0,0,0|2,0,0]=4 390 B12R1.127 CC1=C(CC(=O)O)C=C(Br)C=C1 B51909 [0,1,1,0,0,0|2,0,0]=4 391 B12R1.127 CC1=C(OC(C)C)C=C(N)C=C1 P54195 [0,1,1,0,0,0|1,0,1]=4 392 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 D39606 [0,1,1,0,0,0|2,0,0]=4 393 B12R1.224 CC1=C(F)C=CC=C1CC(=O)O F51950 [0,1,1,0,0,0|2,0,0]=4 394 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C D52800 [0,1,1,0,0,0|2,0,0]=4 395 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O D52807 [0,1,1,0,0,0|2,0,0]=4 396 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [0,1,1,0,0,0|2,0,0]=4 397 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [0,1,1,0,0,0|2,0,0]=4 398 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [0,1,1,0,0,0|0,0,2]=4 399 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,1,1,0,0,0|0,0,0]=2 400 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,1,1,0,0,0|1,0,0]=3 401 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,1,1,0,0,0|1,0,0]=3 402 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,1,1,0,0,0|2,0,0]=4 403 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,1,1,0,0,0|2,0,0]=4 404 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,1,1,0,0,0|1,0,0]=3 405 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,1,1,0,0,0|2,0,0]=4 406 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,1,1,0,0,0|1,0,0]=3 407 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,1,1,0,0,0|1,0,1]=4 408 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,1,1,0,0,0|2,0,0]=4 409 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,1,1,0,0,0|2,0,0]=4 410 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,1,1,0,0,0|1,0,0]=3 411 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,1,1,0,0,0|0,0,0]=2 412 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,1,1,0,0,0|2,0,0]=4 413 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,1,1,0,0,0|2,0,0]=4 414 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,1,1,0,0,0|0,0,0]=2 415 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,1,1,0,0,0|0,0,0]=2 416 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,1,1,0,0,0|0,0,0]=2 417 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 A46676 [0,1,1,0,0,0|1,0,0]=3 418 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,1,1,0,0,0|0,0,0]=2 419 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,1,1,0,0,0|0,0,0]=2 420 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,1,1,0,0,0|0,0,0]=2 421 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,1,1,0,0,0|0,0,2]=4 422 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 P38151 [0,1,1,0,0,0|1,0,1]=4 423 B12R2.1081 BrC1=C2CCCCC2=CC=C1 B4845 [1,1,0,0,0,0|1,0,1]=4 424 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B14750 [1,1,0,0,0,0|1,0,1]=4 425 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B49764 [1,1,0,0,0,0|1,0,1]=4 426 B12R2.1081 BrC1=C2CCCOC2=CC=C1 B52015 [1,1,0,0,0,0|0,0,1]=3 427 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B14751 [1,1,0,0,0,0|2,0,0]=4 428 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B26536 [1,1,0,0,0,0|2,0,0]=4 429 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B14753 [1,1,0,0,0,0|2,0,0]=4 430 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B49767 [1,1,0,0,0,0|2,0,0]=4 431 B12R2.1081 BrC1=C2NCCCC2=CC=C1 B49762 [1,1,0,0,0,0|1,0,1]=4 432 B12R2.1081 BrC1=C2NCCOC2=CC=C1 B49028 [1,1,0,0,0,0|1,0,1]=4 433 B12R2.1081 BrC1=C2OCCCC2=CC=C1 B63715 [1,1,0,0,0,0|0,0,1]=3 434 B12R2.1081 BrC1=C2OCCNC2=CC=C1 B49031 [1,1,0,0,0,0|1,0,1]=4 435 B12R2.1081 CC1=CC=CC2=C1CCCN2 M54142 [1,1,0,0,0,0|1,0,1]=4 436 B12R2.1081 CC1=CC=CC2=C1NCCC2 M52879 [1,1,0,0,0,0|1,0,1]=4 437 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [1,1,0,0,0,0|2,0,0]=4 438 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [1,1,0,0,0,0|2,0,0]=4 439 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [1,1,0,0,0,0|1,0,1]=4 440 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [1,1,0,0,0,0|1,0,1]=4 441 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [1,1,0,0,0,0|2,0,0]=4 442 B12R2.1081 ClC1=C2CCCNC2=CC=C1 C36903 [1,1,0,0,0,0|1,0,1]=4 443 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49773 [1,1,0,0,0,0|2,0,0]=4 444 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49780 [1,1,0,0,0,0|2,0,0]=4 445 B12R2.1081 ClC1=C2OCCCC2=CC=C1 C52035 [1,1,0,0,0,0|0,0,1]=3 446 B12R2.1081 FC1=C2CCCNC2=CC=C1 F5341 [1,1,0,0,0,0|1,0,1]=4 447 B12R2.1081 FC1=C2OCCNC2=CC=C1 F49054 [1,1,0,0,0,0|1,0,1]=4 448 B12R2.1081 NC1=CC=CC2=C1C=CCO2 C51750 [1,1,0,0,0,0|2,0,0]=4 449 B12R2.1081 NC1=CC=CC2=C1CCNC2 T50168 [1,1,0,0,0,0|2,0,0]=4 450 B12R2.1081 NC1=CC=CC2=C1CCNC2 T52129 [1,1,0,0,0,0|2,0,0]=4 451 B12R2.1081 NC1=CC=CC2=C1OCCO2 D3222 [1,1,0,0,0,0|1,0,1]=4 452 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [1,1,0,0,0,0|1,0,1]=4 453 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [1,1,0,0,0,0|0,0,1]=3 454 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [1,1,0,0,0,0|0,0,1]=3 455 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [1,1,0,0,0,0|1,0,1]=4 456 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 T50167 [1,1,0,0,0,0|1,0,1]=4 457 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [1,1,0,0,0,0|0,0,1]=3 458 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [1,1,0,0,0,0|0,0,1]=3 459 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [1,1,0,0,0,0|0,0,1]=3 460 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 T37381 [1,1,0,0,0,0|2,0,0]=4 461 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [1,1,0,0,0,0|2,0,0]=4 462 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [1,1,0,0,0,0|2,0,0]=4 463 B12R2.1081 O=C1C=COC2=C1C=CC=C2 C38489 [1,1,0,0,0,0|0,0,2]=4 464 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [1,1,0,0,0,0|0,0,2]=4 465 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [1,1,0,0,0,0|2,0,0]=4 466 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [1,1,0,0,0,0|2,0,0]=4 467 B12R2.1081 OC1=C2NCCCC2=CC=C1 H67535 [1,1,0,0,0,0|1,0,1]=4 468 B12R2.1081 OC1=CC=CC2=C1OCCO2 D49104 [1,1,0,0,0,0|1,0,1]=4 469 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [1,1,0,0,0,0|1,0,1]=4 470 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [1,1,0,0,0,0|1,0,1]=4 471 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [0,1,0,0,1,0|1,0,1]=4 472 B12R2.1 O=CC1=COC2=C1C=CC=C2 B23789 [0,1,0,0,1,0|1,0,1]=4 473 B12R2.1 O=CC1=CSC2=C1C=CC=C2 B67477 [0,1,0,0,1,0|1,0,1]=4 474 B12R2.1 O=CC1=NNC2=C1C=CC=C2 K9332 [0,1,0,0,1,0|2,0,0]=4 475 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,1,0,0,1,0|0,0,0]=2 476 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [0,1,0,0,1,0|1,0,1]=4 477 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [0,1,0,0,1,0|1,0,1]=4 478 B12R2.132 CC1=CC2=C(C=C1)COC2=O M51554 [0,1,0,0,1,0|1,0,0]=3 479 B12R2.132 CC1=CC2=C(C=C1)ONC2=O M48465 [0,1,0,0,1,0|2,0,0]=4 480 B12R2.132 NC1=CC2=C(C=C1)CCC2=O A4485 [0,1,0,0,1,0|0,0,0]=2 481 B12R2.132 NC1=CC2=C(C=C1)CNC2=O A8073 [0,1,0,0,1,0|1,0,0]=3 482 B12R2.132 NC1=CC2=C(C=C1)COC2=O A12213 [0,1,0,0,1,0|1,0,0]=3 483 B12R2.132 NC1=CC2=C(C=C1)ONC2=O A45230 [0,1,0,0,1,0|2,0,0]=4 484 B12R2.132 N[C@@H]1CCC2=C1C=C(Br)C=C2 B13142 [0,1,0,0,1,0|1,0,1]=4 485 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 F52069 [0,1,0,0,1,0|1,0,1]=4 486 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 A31037 [0,1,0,0,1,0|1,0,1]=4 487 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 H13146 [0,1,0,0,1,0|1,0,1]=4 488 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B13143 [0,1,0,0,1,0|1,0,1]=4 489 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B63650 [0,1,0,0,1,0|1,0,1]=4 490 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C49778 [0,1,0,0,1,0|1,0,1]=4 491 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C63653 [0,1,0,0,1,0|1,0,1]=4 492 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52065 [0,1,0,0,1,0|1,0,1]=4 493 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52067 [0,1,0,0,1,0|1,0,1]=4 494 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 H13147 [0,1,0,0,1,0|1,0,1]=4 495 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 B13141 [0,1,0,0,1,0|0,0,0]=2 496 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 C13148 [0,1,0,0,1,0|0,0,0]=2 497 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 F51322 [0,1,0,0,1,0|0,0,0]=2 498 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 D9500 [0,1,0,0,1,0|0,0,0]=2 499 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 H51556 [0,1,0,0,1,0|0,0,0]=2 500 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 B24181 [0,1,0,0,1,0|1,0,0]=3 501 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 B14059 [0,1,0,0,1,0|1,0,0]=3 502 B12R2.132 O=C1NCC2=C1C=C(Cl)C=C2 C48084 [0,1,0,0,1,0|1,0,0]=3 503 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 F48098 [0,1,0,0,1,0|1,0,0]=3 504 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 H38857 [0,1,0,0,1,0|1,0,0]=3 505 B12R2.132 O=C1NCC2=NC=C(Cl)C=C12 C44839 [0,1,0,0,1,0|2,0,0]=4 506 B12R2.132 O=C1NCC2=NC=C(F)C=C12 F44848 [0,1,0,0,1,0|2,0,0]=4 507 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 B44449 [0,1,0,0,1,0|2,0,0]=4 508 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 B61796 [0,1,0,0,1,0|2,0,0]=4 509 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 B12788 [0,1,0,0,1,0|1,0,0]=3 510 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 F47784 [0,1,0,0,1,0|1,0,0]=3 511 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 I12214 [0,1,0,0,1,0|1,0,0]=3 512 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 B52030 [0,1,0,0,1,0|0,0,2]=4 513 B12R2.196 CC1=CC=CC2=C1CCC2=O M52415 [0,1,0,0,1,0|0,0,0]=2 514 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N M54145 [0,1,0,0,1,0|1,0,1]=4 515 B12R2.196 CC1=CC=CC2=C1ONC2=O M60993 [0,1,0,0,1,0|2,0,0]=4 516 B12R2.196 NC1=CC=CC2=C1CCC2=O A3795 [0,1,0,0,1,0|0,0,0]=2 517 B12R2.196 NC1=CC=CC2=C1CNC2=O A14682 [0,1,0,0,1,0|1,0,0]=3 518 B12R2.196 NC1=CC=CC2=C1COC2=O A36802 [0,1,0,0,1,0|1,0,0]=3 519 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 B61894 [0,1,0,0,1,0|1,0,1]=4 520 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B37290 [0,1,0,0,1,0|1,0,1]=4 521 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49765 [0,1,0,0,1,0|1,0,1]=4 522 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49768 [0,1,0,0,1,0|1,0,1]=4 523 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49777 [0,1,0,0,1,0|1,0,1]=4 524 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49781 [0,1,0,0,1,0|1,0,1]=4 525 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F52070 [0,1,0,0,1,0|1,0,1]=4 526 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 I0551 [0,1,0,0,1,0|0,0,0]=2 527 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 C0554 [0,1,0,0,1,0|0,0,0]=2 528 B12R2.196 O=C1CCC2=C(F)C=CC=C12 F51325 [0,1,0,0,1,0|0,0,0]=2 529 B12R2.196 O=C1CCC2=C1C=CC=C2O H38442 [0,1,0,0,1,0|0,0,0]=2 530 B12R2.196 O=C1COC2=C(Br)C=CC=C12 B47766 [0,1,0,0,1,0|1,0,0]=3 531 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 B14058 [0,1,0,0,1,0|1,0,0]=3 532 B12R2.196 O=C1NCC2=C1C=CC=C2O H48467 [0,1,0,0,1,0|1,0,0]=3 533 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 B47767 [0,1,0,0,1,0|1,0,0]=3 534 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 M52416 [0,1,0,0,1,0|0,0,0]=2 535 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 A14681 [0,1,0,0,1,0|1,0,0]=3 536 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49763 [0,1,0,0,1,0|1,0,1]=4 537 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49766 [0,1,0,0,1,0|1,0,1]=4 538 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 F52072 [0,1,0,0,1,0|1,0,1]=4 539 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 B64882 [0,1,0,0,1,0|0,0,0]=2 540 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 C51316 [0,1,0,0,1,0|0,0,0]=2 541 B12R2.203 O=C1CCC2=CC=CC(F)=C12 F51324 [0,1,0,0,1,0|0,0,0]=2 542 B12R2.203 O=C1CCC2=CC=CC(O)=C12 H51557 [0,1,0,0,1,0|0,0,0]=2 543 B12R2.203 O=C1COC2=CC=CC(F)=C12 F63171 [0,1,0,0,1,0|1,0,0]=3 544 B12R2.203 O=C1NCC2=CC=CC(Br)=C12 B22172 [0,1,0,0,1,0|1,0,0]=3 545 B12R2.203 O=C1NOC2=CC=CC(F)=C12 F44454 [0,1,0,0,1,0|2,0,0]=4 546 B12R2.203 O=C1OCC2=CC=CC(Br)=C12 B37589 [0,1,0,0,1,0|1,0,0]=3 547 B12R2.203 O[C@H]1CCC2=CC=CC(Br)=C21 B63750 [0,1,0,0,1,0|0,0,2]=4 548 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [0,1,0,0,1,0|0,0,0]=2 549 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 M48466 [0,1,0,0,1,0|2,0,0]=4 550 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 M51553 [0,1,0,0,1,0|1,0,0]=3 551 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 M52880 [0,1,0,0,1,0|1,0,1]=4 552 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 A3834 [0,1,0,0,1,0|0,0,0]=2 553 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 A0622 [0,1,0,0,1,0|1,0,0]=3 554 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 A48453 [0,1,0,0,1,0|1,0,0]=3 555 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 B38120 [0,1,0,0,1,0|1,0,1]=4 556 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 C49774 [0,1,0,0,1,0|1,0,1]=4 557 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 F52068 [0,1,0,0,1,0|1,0,1]=4 558 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B36894 [0,1,0,0,1,0|1,0,1]=4 559 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63483 [0,1,0,0,1,0|1,0,1]=4 560 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63647 [0,1,0,0,1,0|1,0,1]=4 561 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63729 [0,1,0,0,1,0|1,0,1]=4 562 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49775 [0,1,0,0,1,0|1,0,1]=4 563 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49782 [0,1,0,0,1,0|1,0,1]=4 564 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C69644 [0,1,0,0,1,0|1,0,1]=4 565 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F52071 [0,1,0,0,1,0|1,0,1]=4 566 B12R2.612 O=C1C=CC2=C(CCC2=O)N1 D63506 [0,1,0,0,1,0|1,0,0]=3 567 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B23186 [0,1,0,0,1,0|0,0,0]=2 568 B12R2.612 O=C1CCC2=C1C=CC(Br)=N2 B61632 [0,1,0,0,1,0|1,0,0]=3 569 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C39570 [0,1,0,0,1,0|0,0,0]=2 570 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F51326 [0,1,0,0,1,0|0,0,0]=2 571 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 D9498 [0,1,0,0,1,0|0,0,0]=2 572 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 H38546 [0,1,0,0,1,0|0,0,0]=2 573 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 B47765 [0,1,0,0,1,0|1,0,0]=3 574 B12R2.612 O=C1COC2=C1C=CC(O)=C2 H48209 [0,1,0,0,1,0|1,0,0]=3 575 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 B14060 [0,1,0,0,1,0|1,0,0]=3 576 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 C38770 [0,1,0,0,1,0|1,0,0]=3 577 B12R2.612 O=C1NCC2=C1C=CC(Cl)=N2 C44838 [0,1,0,0,1,0|2,0,0]=4 578 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 F48097 [0,1,0,0,1,0|1,0,0]=3 579 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 H36793 [0,1,0,0,1,0|1,0,0]=3 580 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 B67339 [0,1,0,0,1,0|2,0,0]=4 581 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 F44842 [0,1,0,0,1,0|2,0,0]=4 582 B12R2.612 O=C1NOC2=C1C=CC(Br)=C2 B38875 [0,1,0,0,1,0|2,0,0]=4 583 B12R2.612 O=C1NOC2=C1C=CC(Cl)=C2 C62237 [0,1,0,0,1,0|2,0,0]=4 584 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 F44455 [0,1,0,0,1,0|2,0,0]=4 585 B12R2.612 O=C1NSC2=C1C=CC(F)=C2 F44556 [0,1,0,0,1,0|2,0,0]=4 586 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 B47768 [0,1,0,0,1,0|1,0,0]=3 587 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 C47780 [0,1,0,0,1,0|1,0,0]=3 588 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 F47783 [0,1,0,0,1,0|1,0,0]=3 589 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 H60961 [0,1,0,0,1,0|1,0,0]=3 590 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 C14977 [0,1,0,0,1,0|2,0,0]=4 591 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 B52029 [0,1,0,0,1,0|0,0,2]=4 592 B12R2.612 O[C@H]1CCC2=C1C=CC(Cl)=C2 C52041 [0,1,0,0,1,0|0,0,2]=4 593 B12R2.612 O[C@H]1CCC2=C1C=CC(F)=C2 F52046 [0,1,0,0,1,0|0,0,2]=4 594 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [0,1,0,0,1,0|2,0,0]=4 595 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 A48795 [0,1,0,0,1,0|1,0,0]=3 596 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 I36660 [0,1,0,0,1,0|0,0,1]=3 597 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [0,1,0,0,1,0|1,0,0]=3 598 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [0,1,0,0,1,0|1,0,0]=3 599 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [0,1,0,0,1,0|2,0,0]=4 600 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [0,1,0,0,1,0|2,0,0]=4 601 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 P60753 [0,1,0,0,1,0|1,0,1]=4 602 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 B48072 [0,1,0,0,1,0|2,0,0]=4 603 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 E51753 [0,1,0,0,1,0|2,0,0]=4 604 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 M48556 [0,1,0,0,1,0|1,1,0]=4 605 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 C48088 [0,1,0,0,1,0|2,0,0]=4 606 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 B50747 [0,1,0,0,1,0|1,0,1]=4 607 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [0,1,0,0,1,0|1,0,1]=4 608 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [0,1,0,0,1,0|0,0,1]=3 609 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [0,1,0,0,1,0|0,1,1]=4 610 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 F10728 [0,1,0,0,1,0|1,0,1]=4 611 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [0,1,0,0,1,0|2,0,0]=4 612 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B9216 [0,1,0,0,1,0|1,1,0]=4 613 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 B48459 [0,1,0,0,1,0|1,0,1]=4 614 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,1,0,0,1,0|0,0,2]=4 615 B12R2.95 O=S1(=O)CC2=C(C=CC=C2)N1 D45828 [0,1,0,0,1,0|2,0,0]=4 616 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 B10696 [0,1,0,0,1,0|2,0,0]=4 617 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M51751 [0,1,0,0,1,0|1,0,0]=3 618 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 M48820 [0,1,0,0,1,0|2,0,0]=4 619 B12R2.202 CC1=NC2=C(F)C=CC=C2O1 F48104 [0,1,0,0,1,0|2,0,0]=4 620 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 A48794 [0,1,0,0,1,0|1,0,0]=3 621 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 A45229 [0,1,0,0,1,0|1,0,0]=3 622 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 B44825 [0,1,0,0,1,0|2,0,0]=4 623 B12R2.202 NC1=NC2=C(C=CC=C2O)O1 H45228 [0,1,0,0,1,0|2,0,0]=4 624 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 B44827 [0,1,0,0,1,0|2,0,0]=4 625 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 B2074 [0,1,0,0,1,0|1,0,0]=3 626 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 B16473 [0,1,0,0,1,0|2,0,0]=4 627 B12R2.202 O=C1CC2=C(Br)C=NC=C2N1 B37615 [0,1,0,0,1,0|2,0,0]=4 628 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 H48455 [0,1,0,0,1,0|1,0,0]=3 629 B12R2.202 O=C1CC2=C(C=CN=C2Cl)N1 C60215 [0,1,0,0,1,0|2,0,0]=4 630 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 C22284 [0,1,0,0,1,0|1,0,0]=3 631 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 C0438 [0,1,0,0,1,0|2,0,0]=4 632 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 F48095 [0,1,0,0,1,0|1,0,0]=3 633 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 F0565 [0,1,0,0,1,0|2,0,0]=4 634 B12R2.202 O=C1CC2=C(I)C=CN=C2N1 I17231 [0,1,0,0,1,0|2,0,0]=4 635 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 B10978 [0,1,0,0,1,0|1,0,0]=3 636 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 B12492 [0,1,0,0,1,0|1,0,0]=3 637 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F48096 [0,1,0,0,1,0|1,0,0]=3 638 B12R2.202 O=C1CC2=CN=CC(Br)=C2N1 B27216 [0,1,0,0,1,0|2,0,0]=4 639 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 F44555 [0,1,0,0,1,0|1,1,0]=4 640 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 C44540 [0,1,0,0,1,0|1,1,0]=4 641 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 B44448 [0,1,0,0,1,0|1,0,0]=3 642 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 B44525 [0,1,0,0,1,0|1,1,0]=4 643 B12R2.202 O=C1NC2=CC=CC(Cl)=C2S1 C44541 [0,1,0,0,1,0|1,1,0]=4 644 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 F38220 [0,1,0,0,1,0|2,0,0]=4 645 B12R2.202 S=C1NC2=CC=CC(Cl)=C2O1 C62263 [0,1,0,0,1,0|1,1,0]=4 646 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 M63165 [0,1,0,0,1,0|1,0,1]=4 647 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 M24288 [0,1,0,0,1,0|1,0,0]=3 648 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 M51752 [0,1,0,0,1,0|1,0,0]=3 649 B12R2.606 CC1=CC2=C(C=C1)NC(=O)N2 M48816 [0,1,0,0,1,0|2,0,0]=4 650 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 M48557 [0,1,0,0,1,0|1,1,0]=4 651 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 D51756 [0,1,0,0,1,0|2,0,0]=4 652 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 M48797 [0,1,0,0,1,0|2,0,0]=4 653 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 B48073 [0,1,0,0,1,0|2,0,0]=4 654 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 C48089 [0,1,0,0,1,0|2,0,0]=4 655 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 M48804 [0,1,0,0,1,0|2,0,0]=4 656 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 B38129 [0,1,0,0,1,0|2,0,0]=4 657 B12R2.606 CC1=NC2=C(C=CC(F)=C2)O1 F48105 [0,1,0,0,1,0|2,0,0]=4 658 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 M61203 [0,1,0,0,1,0|2,0,0]=4 659 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 M38254 [0,1,0,0,1,0|2,0,0]=4 660 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 D44181 [0,1,0,0,1,0|2,0,0]=4 661 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 D13938 [0,1,0,0,1,0|2,0,0]=4 662 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 B37658 [0,1,0,0,1,0|2,0,0]=4 663 B12R2.606 FC1=CC2=C(C=C1)OC(S)=N2 F44554 [0,1,0,0,1,0|1,1,0]=4 664 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 A12202 [0,1,0,0,1,0|1,0,0]=3 665 B12R2.606 NC1=CC2=C(C=C1)N=C(O)O2 A62037 [0,1,0,0,1,0|1,0,1]=4 666 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A0306 [0,1,0,0,1,0|1,0,0]=3 667 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A49612 [0,1,0,0,1,0|1,0,0]=3 668 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 A69233 [0,1,0,0,1,0|2,0,0]=4 669 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 A45264 [0,1,0,0,1,0|1,1,0]=4 670 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 A48458 [0,1,0,0,1,0|0,0,0]=2 671 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 A44824 [0,1,0,0,1,0|2,0,0]=4 672 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 A44834 [0,1,0,0,1,0|2,0,0]=4 673 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 B44826 [0,1,0,0,1,0|2,0,0]=4 674 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 B51311 [0,1,0,0,1,0|1,0,0]=3 675 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 B9533 [0,1,0,0,1,0|1,0,0]=3 676 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 C51319 [0,1,0,0,1,0|1,0,0]=3 677 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 C24287 [0,1,0,0,1,0|1,0,0]=3 678 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 F24289 [0,1,0,0,1,0|1,0,0]=3 679 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 K61888 [0,1,0,0,1,0|1,0,0]=3 680 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 B0214 [0,1,0,0,1,0|1,0,0]=3 681 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 B7653 [0,1,0,0,1,0|2,0,0]=4 682 B12R2.606 O=C1CC2=C(C=CC(Cl)=N2)N1 P5501 [0,1,0,0,1,0|2,0,0]=4 683 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 F28486 [0,1,0,0,1,0|1,0,0]=3 684 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 B17259 [0,1,0,0,1,0|2,0,0]=4 685 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 C12509 [0,1,0,0,1,0|2,0,0]=4 686 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 B0774 [0,1,0,0,1,0|2,0,0]=4 687 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 B10998 [0,1,0,0,1,0|2,0,0]=4 688 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 C0439 [0,1,0,0,1,0|2,0,0]=4 689 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 C0457 [0,1,0,0,1,0|2,0,0]=4 690 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 F0566 [0,1,0,0,1,0|2,0,0]=4 691 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 C7906 [0,1,0,0,1,0|2,0,0]=4 692 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 B0533 [0,1,0,0,1,0|2,0,0]=4 693 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 C0694 [0,1,0,0,1,0|2,0,0]=4 694 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 B36673 [0,1,0,0,1,0|2,0,0]=4 695 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 B69565 [0,1,0,0,1,0|1,0,0]=3 696 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 B44524 [0,1,0,0,1,0|1,1,0]=4 697 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 C69352 [0,1,0,0,1,0|2,0,0]=4 698 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 C38265 [0,1,0,0,1,0|1,1,0]=4 699 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 F44847 [0,1,0,0,1,0|2,0,0]=4 700 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 F44553 [0,1,0,0,1,0|1,1,0]=4 701 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 B44447 [0,1,0,0,1,0|1,0,0]=3 702 B12R2.606 O=C1NC2=C(C=CC(F)=C2)O1 F44453 [0,1,0,0,1,0|1,0,0]=3 703 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 B41837 [0,1,0,0,1,0|2,0,0]=4 704 B12R2.606 O=C1NC2=NC=C(Cl)C=C2O1 C41838 [0,1,0,0,1,0|2,0,0]=4 705 B12R2.606 S=C1NC2=C(C=C(Cl)C=C2)O1 C63973 [0,1,0,0,1,0|1,1,0]=4 706 B12R2.606 S=C1NC2=C(C=CC(Br)=C2)O1 B44526 [0,1,0,0,1,0|1,1,0]=4 707 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 C44542 [0,1,0,0,1,0|1,1,0]=4 708 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 D12993 [0,1,0,0,0,1|1,0,0]=3 709 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 A1769 [0,1,0,0,0,1|1,0,0]=3 710 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 F52403 [0,1,0,0,0,1|1,0,0]=3 711 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 A14224 [0,1,0,0,0,1|1,0,0]=3 712 B14R2.28454 O=C1CCCC2=C(F)C=CC=C2N1 F52402 [0,1,0,0,0,1|1,0,0]=3 713 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 D0663 [0,2,0,0,0,0|0,0,2]=4 714 B14R2.29369 CN1C(=O)CCC2=C1C=CC(Br)=C2 B15177 [0,2,0,0,0,0|1,0,0]=3 715 B14R2.29369 CN1C(=O)CNC2=C1C=CC(Cl)=C2 C51698 [0,2,0,0,0,0|2,0,0]=4 716 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)N2 M52571 [0,2,0,0,0,0|1,0,0]=3 717 B14R2.134 N#CC1=CC2=C(C=C1)OCC(=O)N2 X50817 [0,2,0,0,0,0|2,0,0]=4 718 B14R2.134 O=C1CCC2=C(C=C(CO)C=C2)N1 H62301 [0,2,0,0,0,0|1,0,0]=3 719 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 T54110 [0,2,0,0,0,0|1,0,1]=4 720 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 C37839 [0,2,0,0,0,0|0,0,1]=3 721 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 D9562 [0,2,0,0,0,0|1,0,1]=4 722 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 T54558 [0,2,0,0,0,0|1,0,1]=4 723 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CC2 M52570 [0,2,0,0,0,0|1,0,0]=3 724 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 M51825 [0,2,0,0,0,0|2,0,0]=4 725 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CS2 M61788 [0,2,0,0,0,0|2,0,0]=4 726 B14R2.8239 C[C@@H]1OC2=C(C=C(Br)C=C2)NC1=O B63696 [0,2,0,0,0,0|2,0,0]=4 727 B14R2.8239 O=C1CCC2=CC(Cl)=C(Cl)C=C2C1 D64117 [0,2,0,0,0,0|1,0,0]=3 728 B14R2.29365 O=C1C=C(O)C2=C(C=C(F)C=C2)O1 F63742 [0,2,0,0,0,0|0,0,2]=4 729 B14R2.29365 O=C1C=CC2=C(C=C(O)C=C2O)O1 D50999 [0,2,0,0,0,0|0,0,2]=4 730 B14R2.8235 O=C1C=C(O)C2=C(C=CC(F)=C2)O1 F50782 [0,2,0,0,0,0|0,0,2]=4 731 B14R2.8235 O=C1CCC2=CC(Br)=CC(Br)=C2N1 D51237 [0,2,0,0,0,0|1,0,0]=3 732 B14R2.8235 O=C1CCC2=CC(Cl)=CC(Cl)=C2C1 D64113 [0,2,0,0,0,0|1,0,0]=3 733 B14R2.8235 O=C1CCC2=CC(Cl)=CC(Cl)=C2N1 D63379 [0,2,0,0,0,0|1,0,0]=3 734 B14R2.8751 CC1=C2C=CC(=O)OC2=C(O)C=C1 M64560 [0,2,0,0,0,0|0,0,2]=4 735 B14R2.8751 O=C1CCC2=C(O)C=CC(F)=C2N1 F60138 [0,2,0,0,0,0|1,0,0]=3 736 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 M61686 [0,2,0,0,0,0|0,0,2]=4 737 B14R2.639 CC1(C)NC2=C(C=CC=C2)NC1=O D52691 [0,2,0,0,0,0|2,0,0]=4 738 B14R2.29496 N[C@H]1CS(=O)(=O)CC2=C1C=CC=C2 A4117 [0,2,0,0,0,0|2,0,0]=4 739 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 M62171 [0,2,0,0,0,0|0,0,2]=4 740 B14R2.1073 COC1=CC=CC2=C1CCC(=O)C2 M4692 [0,2,0,0,0,0|1,0,0]=3 741 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,0,1,1,0,0|1,0,0]=3 742 B12R2.315 COC1=C2OC=CC2=CC=C1 M51551 [0,0,1,1,0,0|2,0,0]=4 743 B12R2.315 OCC1=C2OC=CC2=CC=C1 B11184 [0,0,1,1,0,0|2,0,0]=4 744 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,0,1,1,0,0|1,0,0]=3 745 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,0,1,0,1,0|1,0,0]=3 746 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [0,0,1,0,1,0|1,0,0]=3 747 B10R1.15 CCC(=O)C1=NC=CC=N1 P61892 [0,0,1,0,1,0|2,0,0]=4 748 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [0,0,1,0,1,0|2,0,0]=4 749 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,0,1,0,1,0|1,0,1]=4 750 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [0,0,1,0,1,0|2,0,0]=4 751 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [0,0,1,0,1,0|2,0,0]=4 752 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [0,0,1,0,1,0|2,0,0]=4 753 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [0,0,1,0,1,0|2,0,0]=4 754 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [0,0,1,0,1,0|2,0,0]=4 755 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [0,0,1,0,1,0|2,0,0]=4 756 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [0,0,1,0,1,0|2,0,0]=4 757 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [0,0,1,0,1,0|1,0,0]=3 758 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [0,0,1,0,1,0|1,0,1]=4 759 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [0,0,1,0,1,0|2,0,0]=4 760 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,0,1,0,1,0|1,0,0]=3 761 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [0,0,1,0,1,0|2,0,0]=4 762 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [0,0,1,0,1,0|2,0,0]=4 763 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,0,1,0,1,0|0,0,0]=2 764 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,0,1,0,1,0|1,0,0]=3 765 B10R1.61 CC(=O)C1=C(C)N=CN=C1 M45983 [0,0,1,0,1,0|2,0,0]=4 766 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,0,1,0,1,0|1,0,0]=3 767 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [0,0,1,0,1,0|2,0,0]=4 768 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [0,0,1,0,1,0|2,0,0]=4 769 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,0,1,0,1,0|1,0,0]=3 770 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [0,0,1,0,1,0|2,0,0]=4 771 B10R1.61 CC(=O)C1=C(F)C=NC=C1 A12618 [0,0,1,0,1,0|2,0,0]=4 772 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,0,1,0,1,0|1,0,0]=3 773 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,0,1,0,1,0|1,0,0]=3 774 B10R1.61 CC(=O)C1=C(N)C=NC=C1 A45980 [0,0,1,0,1,0|2,0,0]=4 775 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [0,0,1,0,1,0|2,0,0]=4 776 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [0,0,1,0,1,0|2,0,0]=4 777 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [0,0,1,0,1,0|2,0,0]=4 778 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [0,0,1,0,1,0|2,0,0]=4 779 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [0,0,1,0,1,0|2,0,0]=4 780 B10R1.61 CC(=O)C1=CC=CNC1=O A45815 [0,0,1,0,1,0|2,0,0]=4 781 B10R1.61 CC(=O)C1=CNC=CC1=O A45816 [0,0,1,0,1,0|2,0,0]=4 782 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,0,1,0,1,0|2,0,0]=4 783 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [0,0,1,0,1,0|2,0,0]=4 784 B10R1.61 CC1=C(C(=N)N)C=CC=C1 M49487 [0,0,1,0,1,0|2,0,0]=4 785 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [0,0,1,0,1,0|1,0,0]=3 786 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,0,1,0,1,0|2,0,0]=4 787 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,0,1,0,1,0|2,0,0]=4 788 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M14013 [0,0,1,0,1,0|2,0,0]=4 789 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [0,0,1,0,1,0|2,0,0]=4 790 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [0,0,1,0,1,0|2,0,0]=4 791 B10R1.61 CC1=C(C(N)=O)C=CN=C1 M45976 [0,0,1,0,1,0|2,0,0]=4 792 B10R1.61 CC1=C(C(N)=S)C=CC=C1 M69080 [0,0,1,0,1,0|1,1,0]=4 793 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [0,0,1,0,1,0|1,0,1]=4 794 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [0,0,1,0,1,0|1,0,1]=4 795 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [0,0,1,0,1,0|2,0,0]=4 796 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [0,0,1,0,1,0|2,0,0]=4 797 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [0,0,1,0,1,0|2,0,0]=4 798 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [0,0,1,0,1,0|2,0,0]=4 799 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [0,0,1,0,1,0|2,0,0]=4 800 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [0,0,1,0,1,0|2,0,0]=4 801 B10R1.64 CC(=O)SC1=C(C)OC=C1 M46247 [0,0,1,0,1,0|1,1,0]=4 802 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,0,1,0,1,0|1,0,0]=3 803 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,0,1,0,1,0|1,0,0]=3 804 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,0,1,0,1,0|1,0,0]=3 805 B10R1.66 O=C(O)CCC1=NC=CN1 I38399 [0,0,1,0,1,0|2,0,0]=4 806 B10R1.66 O=C(O)CCN1C=CC=N1 P67578 [0,0,1,0,1,0|2,0,0]=4 807 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,0,1,0|1,0,1]=4 808 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [1,0,0,0,1,0|2,0,0]=4 809 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [1,0,0,0,1,0|2,0,0]=4 810 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [1,0,0,0,1,0|1,0,0]=3 811 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,0,1,0|0,0,0]=2 812 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,0,1,0|1,0,0]=3 813 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [1,0,0,0,1,0|1,1,0]=4 814 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [1,0,0,0,1,0|1,1,0]=4 815 B10R2.7 C1=CC2=C(C=CO2)N=C1 F10431 [1,0,0,0,1,0|1,0,1]=4 816 B10R2.7 C1=CC2=C(C=N1)N=CO2 X42084 [1,0,0,0,1,0|2,0,0]=4 817 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [1,0,0,0,1,0|2,0,0]=4 818 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [1,0,0,0,1,0|2,0,0]=4 819 B10R2.7 C1=CC2=C(C=N1)OC=C2 F3036 [1,0,0,0,1,0|1,0,1]=4 820 B10R2.7 C1=CC2=C(N=C1)N=CO2 X42083 [1,0,0,0,1,0|2,0,0]=4 821 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [1,0,0,0,1,0|1,0,1]=4 822 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [1,0,0,0,1,0|2,0,0]=4 823 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [1,0,0,0,1,0|2,0,0]=4 824 B10R2.7 C1=CN=C2OC=NC2=C1 X42085 [1,0,0,0,1,0|2,0,0]=4 825 B10R2.32 O=C1CCC2=C1C=CS2 D45612 [0,0,0,0,2,0|1,0,0]=3 826 B10R2.32 O=C1CCC2=C1SC=C2 C67539 [0,0,0,0,2,0|1,0,0]=3 827 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [0,0,0,0,2,0|1,0,1]=4 828 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [0,0,0,0,2,0|0,0,0]=2 829 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,0,1,0,0,1|1,0,0]=3 830 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [0,0,1,0,0,1|1,0,1]=4 831 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [0,0,1,0,0,1|1,0,0]=3 832 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [0,0,1,0,0,1|0,0,0]=2 833 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [0,0,1,0,0,1|0,0,0]=2