0 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 BB31-6726 [0,0,0,0,0,0|2,2,0]=4 1 B10R1.58 CC(=O)C1=CC(Cl)=C(Br)S1 BB31-0954 [0,0,0,0,0,0|1,2,0]=3 2 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 BB31-8647 [0,0,0,0,0,0|3,1,0]=4 3 B10R1.58 CN1N=C(C(=O)O)C=C1Br BB31-2335 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.58 CN1N=C(C(=O)O)C=C1N BB05-4239 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 BB31-7721 [0,0,0,0,0,0|0,2,0]=2 6 B10R1.58 OB(O)C1=CC(Br)=C(Cl)S1 BB31-0602 [0,0,0,0,0,0|1,2,1]=4 7 B9R1.23 OCC1=NC(Cl)=C(Cl)N1 BB32-2876 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.35 CC(=O)C1=CC(Br)=NO1 BB31-6992 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.35 CC(=O)C1=CC=C(Br)O1 BB32-1375 [1,0,0,0,0,0|1,1,0]=3 10 B9R1.35 CC1=CC=C([N+](=O)[O-])O1 BB17-0710 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.35 CC1=CNC(C(=O)O)=C1 BB31-4952 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.35 CC1=NC(C(=O)O)=CO1 BB52-2189 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 CC1=NC=C(C(=O)O)O1 BB31-2190 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.35 NC(=O)C1=CC=C(Cl)S1 BB31-7647 [1,0,0,0,0,0|1,1,0]=3 15 B9R1.35 NC(=O)C1=COC(Cl)=N1 BB31-0325 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.35 O=C(O)C1=CC(Br)=CN1 BB52-8147 [1,0,0,0,0,0|1,1,0]=3 17 B9R1.35 O=C(O)C1=CC(O)=NO1 BB52-3965 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.35 O=C(O)C1=CC=C(F)S1 BB31-4908 [1,0,0,0,0,0|0,2,0]=3 19 B9R1.35 O=C(O)C1=CN=C(Cl)O1 BB31-2956 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.35 O=C(O)C1=COC(Br)=N1 BB31-0470 [1,0,0,0,0,0|2,1,0]=4 21 B9R1.35 O=C(O)C1=NC=C(Br)N1 BB31-1468 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.35 O=C1C=C(C(=O)O)NN1 BB52-5683 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 BB31-5669 [1,0,0,0,0,0|1,1,1]=4 24 B11R1.48 CC1=C(C=O)SC(C(=O)O)=C1 BB51-1201 [0,1,0,0,0,0|2,1,0]=4 25 B11R1.79 NS(=O)(=O)C1=CC(Cl)=C(Cl)S1 BB31-5612 [0,1,0,0,0,0|1,1,1]=4 26 B11R1.226 COC(=O)C1=CC(N)=C(C)S1 BB32-2812 [0,1,0,0,0,0|2,1,0]=4 27 B11R1.226 COC(=O)C1=CC(N)=C(Cl)S1 BB31-8495 [0,1,0,0,0,0|1,1,0]=3 28 B11R1.672 O=C(O)C1=C(Br)C(Br)=C(Br)S1 BB31-4959 [0,1,0,0,0,0|0,3,0]=4 29 B11R1.672 O=C(O)C1=C(Cl)C(Cl)=C(Cl)S1 BB31-5744 [0,1,0,0,0,0|0,1,0]=2 30 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 BB31-1241 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=N1 BB31-0768 [0,0,0,0,0,1|2,1,0]=4 32 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 BB31-6679 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.21 CC1=CC(C(=O)O)=CN=C1C BB31-4837 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.21 CC1=CC(C(=O)O)=CNC1=O BB31-7535 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.21 CC1=NC=C(C(=O)O)C=C1N BB31-7301 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.21 NC1=C(S)C=C(C(=O)O)C=C1 BB31-2543 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.21 NC1=CC(C(=O)O)=CN=C1Cl BB32-3665 [0,0,0,0,0,1|2,0,0]=3 38 B11R1.21 NC1=CC(C(=O)O)=CN=C1N BB32-1482 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.21 O=C(O)C1=CC(Br)=C(F)N=C1 BB31-4538 [0,0,0,0,0,1|1,2,0]=4 40 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=N1 BB31-8280 [0,0,0,0,0,1|1,1,0]=3 41 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 BB31-4757 [0,0,0,0,0,1|1,0,0]=2 42 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 BB31-7853 [0,0,0,0,0,1|1,2,0]=4 43 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 BB31-9203 [0,0,0,0,0,1|1,2,0]=4 44 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 BB31-9052 [0,0,0,0,0,1|2,0,0]=3 45 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 BB31-8597 [0,0,0,0,0,1|1,2,0]=4 46 B11R1.21 O=C(O)C1=CN=C(I)C(O)=C1 BB32-3137 [0,0,0,0,0,1|2,1,0]=4 47 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 BB31-7565 [0,0,0,0,0,1|1,1,0]=3 48 B11R1.74 CC(=O)C1=CC(Cl)=NC(Cl)=C1 BB32-0814 [0,0,0,0,0,1|2,0,0]=3 49 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 BB52-2371 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 BB52-2369 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 BB31-8939 [0,0,0,0,0,1|1,1,0]=3 52 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 BB31-9335 [0,0,0,0,0,1|1,1,0]=3 53 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 BB31-4870 [0,0,0,0,0,1|2,0,0]=3 54 B11R1.74 O=C1C=C(C(=O)O)C=C(Cl)N1 BB32-3351 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.1 C(=O)C1=CC=C(F)S1 BB05-4502 [2,0,0,0,0,0|0,2,0]=4 56 B8R1.1 O=CC1=CC(Cl)=CS1 BB32-3153 [2,0,0,0,0,0|0,1,0]=3 57 B8R1.1 O=CC1=CC=C(Br)N1 BB31-7304 [2,0,0,0,0,0|1,1,0]=4 58 B8R1.1 O=CC1=NC=C(Cl)S1 BB31-4728 [2,0,0,0,0,0|1,1,0]=4 59 B8R1.7 CC(=O)C1=CC=NO1 BB31-6420 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.7 CC(=O)C1=CN=CO1 BB31-9843 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.7 N=C(N)C1=CC=CO1 BB52-5806 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.7 NC(=O)C1=NC=CO1 BB31-8539 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.7 NC(=S)C1=CC=CO1 BB31-3461 [2,0,0,0,0,0|1,1,0]=4 64 B8R1.7 O=C(O)C1=CC=NS1 BB54-5260 [2,0,0,0,0,0|1,1,0]=4 65 B8R1.7 O=C(O)C1=CN=CO1 BB52-2257 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.7 O=C([O-])C1=NC=CO1 BB31-1161 [2,0,0,0,0,0|1,0,1]=4 67 B10R1.14 COC(=O)C1=CC(C)=CN1 BB32-1368 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.14 COC(=O)C1=CC(Cl)=CN1 BB31-0808 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.14 COC(=O)C1=CC(O)=NO1 BB52-3915 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.14 COC(=O)C1=CC=C(Cl)O1 BB31-6232 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.14 COC(=O)C1=NC=C(C)O1 BB31-1107 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.14 COC(=O)C1=NNC(Cl)=C1 BB31-3533 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.31 COC1=CC=C(C(=O)O)S1 BB31-4536 [1,1,0,0,0,0|1,1,0]=4 74 B10R1.31 COC1=NOC(C(=O)O)=C1 BB31-8364 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.31 CSC1=CC=C(C(=O)O)S1 BB31-4118 [1,1,0,0,0,0|1,1,0]=4 76 B10R1.31 N#CC1=CC=C(C(=O)O)O1 BB32-1483 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.31 N#CC1=CC=C(C(=O)O)S1 BB01-5623 [1,1,0,0,0,0|1,1,0]=4 78 B10R1.31 N#CC1=CNC(C(=O)O)=C1 BB31-7046 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.31 N#CC1=CSC(C(=O)O)=C1 BB31-4756 [1,1,0,0,0,0|1,1,0]=4 80 B10R1.31 O=C(O)C1=CC(CO)=CS1 BB31-7624 [1,1,0,0,0,0|1,1,0]=4 81 B10R1.31 O=CC1=CC=C(C(=O)O)S1 BB51-1200 [1,1,0,0,0,0|1,1,0]=4 82 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 BB32-3285 [1,1,0,0,0,0|1,1,0]=4 83 B10R1.194 CC1=CC=C(C(=O)O)N1C BB31-8717 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.194 CC1=CNC(C(=O)O)=C1C BB31-4790 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.194 CC1=CSC(C(=O)O)=C1C BB31-6323 [1,1,0,0,0,0|1,1,0]=4 86 B10R1.194 CC1=NOC(C(=O)O)=C1C BB05-3842 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.48 N#CC1=CC=C(C(=O)O)N=C1Cl BB32-2795 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 BB32-3457 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.56 N#CC1=C(Cl)C=CC(C(=O)O)=C1 BB31-5087 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.232 CC(=O)C1=CC(Cl)=C(Cl)C=C1O BB32-0979 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.232 CC1=C(Cl)C=C(C(=O)O)C(=O)N1 BB31-0563 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.232 NC(=O)C1=C(Cl)N=C(Cl)C(Cl)=C1 BB31-2759 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.232 NC1=CC(F)=C(Cl)C=C1C(=O)O BB32-1888 [0,1,0,0,0,1|1,1,0]=4 94 B12R1.232 O=C(O)C1=C(Br)N=C(Br)C(Cl)=C1 BB32-2917 [0,1,0,0,0,1|1,1,0]=4 95 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)C=N1 BB31-9755 [0,1,0,0,0,1|1,0,0]=3 96 B12R1.367 COC(=O)C1=CC(Cl)=C(N)N=C1 BB31-6689 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.367 COC(=O)C1=CC(I)=C(Cl)N=C1 BB32-1372 [0,1,0,0,0,1|1,1,0]=4 98 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 BB32-1062 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.367 COC(=O)C1=CN=C(Cl)C(O)=C1 BB31-4746 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.1005 NC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1 BB12-5845 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.1005 NC1=CC(C(=O)O)=CC(Cl)=C1N BB12-5853 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.1005 O=C(Cl)C1=CC(Cl)=C(Cl)C(Cl)=C1 BB12-5844 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.1005 O=C(O)C1=CC(Br)=C(O)C(Cl)=C1 BB17-0741 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.11 COC1=CC(Cl)=NC(C(=O)O)=C1 BB31-8520 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.358 COC(=O)C1=CC(Br)=CC(Cl)=N1 BB31-9038 [0,1,0,0,0,1|1,1,0]=4 106 B12R1.358 COC(=O)C1=CC(Cl)=CC(O)=C1 BB31-7348 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.358 COC(=O)C1=CC(N)=CC(Cl)=N1 BB31-0972 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.358 COC(=O)C1=NC(Cl)=CC(Cl)=N1 BB31-6837 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.511 O=C(O)C1=C(F)C(Cl)=NC(Cl)=C1 BB31-2872 [0,1,0,0,0,1|1,0,0]=3 110 B12R1.511 O=C(O)C1=C(O)C(Cl)=CC(Br)=C1 BB17-0535 [0,1,0,0,0,1|1,1,0]=4 111 B12R1.511 O=C(O)C1=CC(Cl)=CC(Br)=C1F BB31-1606 [0,1,0,0,0,1|1,1,0]=4 112 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=N1 BB31-1952 [1,0,0,0,0,1|1,0,0]=3 113 B10R1.54 O=C(O)CC1=CC=C(Br)S1 BB32-3837 [1,0,0,0,0,1|0,2,0]=4 114 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 BB31-5747 [0,0,0,0,0,2|2,0,0]=4