0 B13R2.369 CC1=NC2=CC=CC=C2NC1=O 20935 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.369 FC1=CC2=CC=CC=C2N=C1Br 101673 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O 666 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.369 O=C1NC2=CC=CC=C2C=C1F 101471 [0,0,0,0,0,0|1,0,0]=1 4 B13R2.369 O=C1OC2=CC=CC=C2C=C1F 101385 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.369 O=C1SC2=CC=CC=C2C=C1F 102676 [0,0,0,0,0,0|2,0,0]=2 6 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 101960 [1,0,0,0,0,0|1,0,1]=3 7 B12R2.24 CC1=CC2=CC=CC=C2C=N1 16471 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 C[N+]1=CC2=CC=CC=C2C=C1 15360 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 FC1=CC2=C(C=CC=C2)N=C1 100817 [1,0,0,0,0,0|1,0,1]=3 10 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [1,0,0,0,0,0|0,0,0]=1 11 B12R2.24 O=C1CC2=CC=CC=C2CO1 16340 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [1,0,0,0,0,0|1,0,1]=3 13 B14R2.1128 CC1=CC2=CC=CC=C2C=C1CBr 16696 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.1128 CC1=CC2=CC=CC=C2C=C1CCl 16695 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.1128 COC1=C(O)C=C2C=NC=CC2=C1 15459 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=N 18903 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O 18904 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1F 101647 [0,1,0,0,0,0|1,0,1]=3 19 B14R2.8188 CC1=CC2=CC=CC=C2C(Br)=C1C 18225 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.8188 CN1C(=O)C(F)=CC2=CC=CC=C21 101467 [0,1,0,0,0,0|1,0,0]=2 21 B14R2.8188 ClC1=NC2=CC=CC=C2C(Cl)=C1I 100717 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.8188 O=C1OC2=C(C=CC=C2)C(O)=C1Br 20206 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 19326 [0,1,0,0,0,0|1,0,1]=3 24 B14R2.8239 FC1=CC2=CC(Cl)=CC=C2N=C1Br 101656 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.8239 FC1=CC=C2C=C(F)C(Br)=NC2=C1 101677 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.8239 O=C1NC2=C(C=C(F)C=C2)C=C1F 102563 [0,1,0,0,0,0|1,0,0]=2 27 B14R2.8239 O=C1NC2=CC(F)=CC=C2C=C1F 101681 [0,1,0,0,0,0|1,0,0]=2 28 B14R2.8239 O=C1NC2=CC=C(Cl)C=C2C=C1F 101666 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.28472 CC1=C2NC(=O)C(F)=CC2=CC=C1 101476 [0,1,0,0,0,0|1,0,0]=2 30 B14R2.28472 FC1=CC2=CC=CC(Br)=C2N=C1Br 101658 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.28472 N1C(=O)C(F)=CC2=CC=CC(F)=C21 101349 [0,1,0,0,0,0|1,0,0]=2 32 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F 100008 [0,1,0,0,0,0|1,0,0]=2 33 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F 101477 [0,1,0,0,0,0|1,0,0]=2 34 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F 101663 [0,1,0,0,0,0|1,0,0]=2 35 B14R2.28472 O=C1NC2=C(Cl)C=CC=C2C=C1F 101474 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 544 [0,0,1,0,0,0|0,0,2]=3 37 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 102208 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 15432 [0,0,1,0,0,0|2,0,0]=3 39 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 18545 [0,0,0,0,1,0|1,0,0]=2 40 B12R2.18 CC1=C(C)C2=CC=CC=C2C1 16651 [0,0,0,0,1,0|2,0,1]=4 41 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 16046 [0,0,0,0,1,0|2,0,0]=3 42 B12R2.18 CC1=CC2=CC=CC=C2C1O 16748 [0,0,0,0,1,0|1,0,2]=4 43 B12R2.18 CC1CC2=CC=CC=C2C1=O 16626 [0,0,0,0,1,0|1,0,2]=4 44 B12R2.18 CN1C(=O)CC2=CC=CC=C21 18631 [0,0,0,0,1,0|3,0,0]=4 45 B12R2.18 O=C1NC2=CC=CC=C2C1=O 20896 [0,0,0,0,1,0|0,0,1]=2 46 B14R2.738 CC1=CC(C)=[NH+]C2=CC=CC=C2N1 534 [0,0,0,0,0,1|3,0,0]=4 47 B14R2.741 CC1=CC2=CC=CC=C2C=CC1=O 15111 [0,0,0,0,0,1|2,0,0]=3 48 B14R2.741 CC1=CC2=CC=CC=C2C=CC1O 15116 [0,0,0,0,0,1|2,0,1]=4 49 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [1,0,1,0,0,0|1,0,0]=3 52 B11R1.86 CC(=O)NC1=CC=CC=C1Br 17116 [1,0,1,0,0,0|1,0,1]=4 53 B11R1.86 CC(=O)NC1=CC=CC=C1Cl 17122 [1,0,1,0,0,0|1,0,1]=4 54 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 102170 [1,0,1,0,0,0|1,0,1]=4 55 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20759 [1,0,1,0,0,0|1,0,1]=4 56 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 102178 [1,0,1,0,0,0|1,0,1]=4 57 B11R1.86 O=C(O)CC1=CC=CC=C1O 19282 [1,0,1,0,0,0|1,0,1]=4 58 B11R2.20 C1=CC=C2C=NC=CC2=C1 101921 [2,0,0,0,0,0|2,0,0]=4 59 B11R2.20 C1=CC=C2N=CC=CC2=C1 101934 [2,0,0,0,0,0|0,0,1]=3 60 B11R2.20 C1=CC=C2OCC=CC2=C1 16689 [2,0,0,0,0,0|1,0,1]=4 61 B13R1.133 CC(=CC1=CC=C(I)C=C1)C(=O)O 17188 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.133 CC(=O)C(=O)NC1=CC=C(Br)C=C1 545 [0,1,1,0,0,0|0,0,2]=4 63 B13R1.133 CC(=O)C(=O)NC1=CC=C(C)C=C1 1364 [0,1,1,0,0,0|0,0,2]=4 64 B13R1.133 CC(=O)C(=O)NC1=CC=C(Cl)C=C1 1362 [0,1,1,0,0,0|0,0,2]=4 65 B13R1.133 CC(=O)C(=O)NC1=CC=C(I)C=C1 1363 [0,1,1,0,0,0|0,0,2]=4 66 B13R1.418 N#CC(=CC1=CC=CC=C1)C(N)=O 20131 [0,1,1,0,0,0|1,0,0]=3 67 B13R1.470 O=C(\C=N\O)NC1=CC=CC=C1Br 100222 [0,1,1,0,0,0|1,0,0]=3 68 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12227 [1,1,0,0,0,0|1,0,1]=4 69 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12229 [1,1,0,0,0,0|1,0,1]=4 70 B13R2.32 FC1=C(Br)C2=CC=CC=C2N=C1 101669 [1,1,0,0,0,0|1,0,1]=4 71 B13R2.32 FC1=C(I)C=CC2=CC=CC=C21 102037 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.57 N#CC1=CC2=C(C=CC=C2)N=C1 20712 [1,1,0,0,0,0|1,0,1]=4 73 B13R2.57 OCC1=CC2=C(C=CC=C2)C=C1 20619 [1,1,0,0,0,0|1,0,0]=3 74 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 102068 [1,1,0,0,0,0|1,0,1]=4 75 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 10608 [1,1,0,0,0,0|1,0,0]=3 76 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 101529 [1,1,0,0,0,0|0,0,0]=2 77 B13R2.328 FC1=CC(I)=CC2=CC=CC=C12 102038 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 18942 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 20203 [1,1,0,0,0,0|1,0,0]=3 80 B13R2.328 O=C1C=C(O)C2=CC=CN=C2N1 19010 [1,1,0,0,0,0|1,0,0]=3 81 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 14932 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 16347 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 15841 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 20124 [1,1,0,0,0,0|1,0,0]=3 85 B13R2.3683 BrC1=CC=C2N=C(Br)C=CC2=C1 101288 [1,1,0,0,0,0|1,0,1]=4 86 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 101286 [1,1,0,0,0,0|1,0,1]=4 87 B13R2.3683 NC1=CC=C2C=C(N)C=CC2=C1 10795 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 10794 [1,1,0,0,0,0|1,0,0]=3 89 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 15145 [1,1,0,0,0,0|1,0,0]=3 90 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 101291 [1,1,0,0,0,0|0,0,0]=2 91 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 10896 [1,1,0,0,0,0|1,0,0]=3 92 B13R2.5179 FC1=CC2=CC=CC(Br)=C2N=C1 101644 [1,1,0,0,0,0|1,0,1]=4 93 B13R2.45 CC1=C(C#N)NC2=CC=CC=C21 16077 [0,1,0,0,1,0|2,0,0]=4 94 B13R2.45 CCC1=C(C)C2=CC=CC=C2N1 16059 [0,1,0,0,1,0|2,0,0]=4 95 B13R2.135 CC1=C(C#N)C2=CC=CC=C2N1 16078 [0,1,0,0,1,0|2,0,0]=4 96 B13R2.135 CCC1=C(C)NC2=CC=CC=C21 16096 [0,1,0,0,1,0|2,0,0]=4 97 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 18630 [0,1,0,0,1,0|1,0,1]=4 98 B13R2.243 CC1(O)CC2=CC=CC=C2C1=O 16494 [0,1,0,0,1,0|0,0,2]=4 99 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 21030 [0,1,0,0,1,0|0,0,1]=3 100 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O 100204 [0,1,0,0,1,0|0,0,1]=3 101 B15R2.1846 CCC1=CC2=CC=CC=C2C=CC1=O 15119 [0,1,0,0,0,1|2,0,0]=4 102 B15R2.274 CCN1C(=N)C2=CC=CC=C2NC1=O 19271 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.274 NC1=C(C=O)C(=O)OC2=CC=CC=C21 18939 [0,2,0,0,0,0|1,0,1]=4 104 B15R2.888 NSCC1=CC2=C(C=CC=C2)OC1=O 18906 [0,2,0,0,0,0|1,1,0]=4 105 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O 14603 [0,2,0,0,0,0|1,0,1]=4 106 B15R2.984 NC1=NC2=CC=CC=C2C=C1C(=O)O 11819 [0,2,0,0,0,0|1,0,1]=4 107 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1O 11822 [0,2,0,0,0,0|0,0,2]=4 108 B15R2.984 O=C(O)C1=NC2=C(C=CC=C2)N=C1O 20460 [0,2,0,0,0,0|1,0,1]=4 109 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1F 101680 [0,2,0,0,0,0|1,0,1]=4 110 B15R2.61372 CN1C(=O)C(F)=CC2=CC=CC(F)=C21 101338 [0,2,0,0,0,0|1,0,0]=3 111 B15R2.61372 CN1C(=O)C(F)=CC2=CC=CC(F)=C21 101466 [0,2,0,0,0,0|1,0,0]=3 112 B15R2.21336 COC1=CC2=C(C=C1)NC(=O)C(F)=C2 102561 [0,2,0,0,0,0|1,0,0]=3 113 B15R2.59733 CC1=CC(C)=C2C=C(F)C(=O)NC2=C1 101675 [0,2,0,0,0,0|1,0,0]=3 114 B15R2.86973 CCC1=C2NC(=O)C(F)=CC2=CC=C1 101475 [0,2,0,0,0,0|1,0,0]=3 115 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 12203 [0,0,1,1,0,0|2,0,0]=4 116 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 1214 [0,0,1,1,0,0|1,1,0]=4 117 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 19771 [0,0,1,0,1,0|1,0,1]=4 118 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [1,0,0,0,1,0|1,0,1]=4 119 B11R2.1 CC1C=CC2=CC=CC=C21 16652 [1,0,0,0,1,0|1,0,1]=4 120 B11R2.10 CC1=NC2=CC=CC=C2N1 11720 [1,0,0,0,1,0|2,0,0]=4 121 B11R2.10 NC1=NC2=CC=CC=C2N1 500 [1,0,0,0,1,0|2,0,0]=4 122 B11R2.10 S=C1NC2=CC=CC=C2O1 18932 [1,0,0,0,1,0|1,1,0]=4 123 B11R2.10 SC1=NC2=C(C=CC=C2)N1 520 [1,0,0,0,1,0|1,1,0]=4 124 B11R2.54 O=C1C(=O)C2=CC=CC=C12 16264 [0,0,0,0,2,0|0,0,1]=3 125 B11R2.54 O=C1C2=CC=CC=C2C1Cl 16693 [0,0,0,0,2,0|1,0,1]=4 126 B13R1.348 CC(=O)C\C(C)=C\C1=CC=CC=C1 16783 [0,0,1,0,0,1|2,0,0]=4 127 B13R1.351 CC(=O)\C(C)=C/NC1=CC=CC=C1 13492 [0,0,1,0,0,1|2,0,0]=4 128 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 21206 [1,0,0,0,0,1|1,0,0]=3 129 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 21213 [1,0,0,0,0,1|1,0,0]=3