0 B9R1.3 CC1=C(Br)C(=O)NC=C1 29620 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.3 CC1=C(F)C(=O)NC=N1 54993 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.3 CC1=C(F)C(Br)=NC=N1 54994 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.3 CC1=C(F)C(Cl)=NC=N1 C77032 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.3 CC1=C(I)C(=O)C=CN1 D84797 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.3 CC1=C(N)C(Cl)=NC=N1 W15310 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.3 CC1=CC=CC(S)=C1C F20973 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.3 CC1=CC=CC(S)=C1N AT19641 [0,0,0,0,0,0|2,1,0]=3 8 B9R1.3 CC1=CC=NC(C)=C1O F17537 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.3 CC1=CC=NC(Cl)=C1I H11415 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.3 CC1=CC=NC(F)=C1I AT21585 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.3 CC1=CC=NC(N)=C1Cl D71951 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.3 CC1=CC=NC(N)=C1I 65853 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.3 CC1=NC=CC(Cl)=C1N O11210 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.3 CC1=NC=CC(N)=C1Br D96170 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.3 CC1=NC=C[N+]([O-])=C1Cl F18066 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.3 CC1=NC=NC(C)=C1N AT18386 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.3 CN1C(=O)C=CN=C1N AT13875 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.3 CN1N=CC=C(Cl)C1=O 55553 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.3 ClC1=CC=NC(Br)=C1I C11069 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.3 FC1=CC=CC(Br)=C1S AT20836 [0,0,0,0,0,0|3,1,0]=4 21 B9R1.3 FC1=CC=CC(Cl)=C1S AT20825 [0,0,0,0,0,0|3,1,0]=4 22 B9R1.3 NC1=C(Br)C(=O)NC=N1 H10162 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.3 NC1=C(F)C(=O)NC=C1 F18691 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.3 NC1=C(S)C=CC=C1F C16304 [0,0,0,0,0,0|3,1,0]=4 25 B9R1.3 NC1=CC=CC(Cl)=C1S AT19651 [0,0,0,0,0,0|3,1,0]=4 26 B9R1.3 NC1=CC=CC(I)=C1Cl D96226 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.3 NC1=CC=CC(N)=C1N C75845 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.3 NC1=CC=CC(N)=C1O O10621 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.3 NC1=CC=CC(O)=C1O 30915 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.3 NC1=NC=CC(N)=C1N 98115 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.3 NC1=NC=CC(N)=C1N CS1386 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.3 O=C1NC=CC(Br)=C1Br 91734 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.3 OC1=CC=CC(I)=C1O D82483 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.3 OC1=CC=NC(F)=C1Cl 91690 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.3 [2H]C1=CC=CC(I)=C1[2H] D97970 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.4 CC1=CC(I)=NC=C1 D87895 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [1,0,0,0,0,0|0,0,2]=3 39 B8R1.4 O=C1C=C(S)NC=N1 FD7370 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.4 O=C1C=CNC(=O)O1 C15625 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.5 CC1=NC=CN=C1I P10643 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.5 FC1=C(F)C=NC=C1 O10910 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.5 FC1=CC=CN=C1S AT18759 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.5 NC1=C(S)C=NC=C1 P11896 [1,0,0,0,0,0|2,1,0]=4 47 B8R1.5 O=C1NC=NC=C1Cl P12334 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.5 O=C1NC=NC=C1I P13009 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.5 OC1=C(O)C=NN=C1 S10982 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.5 S=C1C=CNC=C1Cl AT18152 [1,0,0,0,0,0|2,1,0]=4 52 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.2 CC1=C(F)C=CC=C1CN N12172 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.2 CC1=C(O)C=CC=C1CO 56654 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.2 CC1=CC=CC(C#N)=C1S AT20894 [0,1,0,0,0,0|2,1,0]=4 56 B10R1.2 CC1=CC=CC(CN)=C1O N10504 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.2 CCC1=CC=CC(Cl)=C1N W13802 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.2 CN1C=CC=C(C=O)C1=O 55279 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.2 CNC1=CC=CC(F)=C1N AC7422 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.2 CNC1=NC=CC(Cl)=C1N C92709 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.2 COC1=C(Cl)C(O)=CC=N1 FD10667 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [0,1,0,0,0,0|2,1,0]=4 67 B10R1.2 COC1=NC=CC(F)=C1N F53634 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.2 COC1=NC=CC(I)=C1F N11837 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.2 N#CC1=CC=CC(N)=C1O AT22558 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.2 NC1=C(C=O)C=CN=C1Cl AT14240 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.2 NCC1=CC=CC(F)=C1O N12979 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.2 NCC1=CC=CC(I)=C1Cl C72087 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.2 O=CC1=CC=CC(Cl)=C1I 93250 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.2 OCC1=CC=CC(Cl)=C1F A12360 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.22 CC1=C(I)C(=O)NC(=O)N1 62784 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.22 CC1=C(O)C(I)=CC(I)=N1 FD10658 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.22 CC1=CC(Br)=CC(Br)=C1I AC9862 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.22 CC1=CC(Br)=CC(I)=C1N S10863 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.22 CC1=CC(Br)=CC(N)=C1F 55937 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.22 CC1=CC(Br)=NC(C)=C1Br C75336 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.22 CC1=CC(C)=NC(C)=C1Br W12678 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.22 CC1=CC(Cl)=CC(F)=C1N 95138 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.22 CC1=CC(Cl)=CC(N)=C1O 78884 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.22 CC1=CC(I)=CC(F)=C1Br AT18861 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.22 CC1=CC(N)=CC(=O)N1C AT19299 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.22 CC1=CC(N)=CC(Br)=C1F FD10715 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.22 CC1=CC(N)=CC(C)=C1N 61916 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.22 CC1=CC(N)=CC(Cl)=C1Br FD10718 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.22 CC1=CC(O)=C(N)C(C)=N1 C75076 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.22 CC1=CC(O)=C(O)C(O)=C1 D92404 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.22 NC1=CC(Br)=CC(F)=C1O 34405 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.22 NC1=CC(Cl)=C(O)C(F)=C1 C13904 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.22 NC1=CC(Cl)=CC(F)=C1O AT10612 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.22 NC1=CC(F)=CC(F)=C1O 34412 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.22 OC1=C(Br)C=C(Cl)C=C1Cl C15816 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.22 OC1=C(Cl)C=C(Cl)C=C1F C10592 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.22 OC1=C(I)C=C(Br)C=C1Cl 57667 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.22 [2H]C1=CC(C)=C(N)C([2H])=C1 D99361 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.22 [2H]C1=CC([2H])=C(O)C([2H])=C1 D99569 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.119 CC1=C(Br)C=CC(N)=C1Cl E72722 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.119 CC1=C(C)C(Br)=C(N)C=C1 AC4809 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.119 CC1=C(C)C(Cl)=C(Cl)C=C1 AC6597 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.119 CC1=C(C)C(N)=C(N)C=C1 77536 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.119 CC1=C(Cl)C=CC(F)=C1Br 98311 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.119 CC1=C(Cl)C=CC(N)=C1Cl W19151 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.119 CC1=C(Cl)C=NC(N)=C1O F13362 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.119 CC1=C(F)C=CC(F)=C1Br C90884 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.119 CC1=C(F)C=CC(N)=C1Cl 22765 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.119 CC1=C(F)C=CC(O)=C1Cl C90871 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.119 CC1=C(I)C=CC(Br)=C1F AT11321 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.119 CC1=C(N)C(=O)N(C)C=C1 AT19273 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.119 CC1=C(N)C=CC(F)=C1Br C90841 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.119 CC1=C(N)C=CC(F)=C1C 34354 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.119 CC1=C(N)C=CC(I)=C1F S11390 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.119 CC1=CC=C(Br)C(=O)N1C 91876 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.119 CC1=CC=C(Br)C(Br)=C1N H11548 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.119 CC1=CC=C(N)C(=O)N1C AT19272 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.119 CC1=CC=C(O)C(C)=C1Br W18028 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.119 CC1=CC=C(O)C(F)=C1F A12364 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.119 OC1=C(Br)C(F)=CC=C1Cl 96414 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.119 OC1=C(Br)C(F)=CC=C1F 98242 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.119 OC1=C(Cl)C=CC(Br)=C1F H11196 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.119 OC1=C(Cl)C=CC(Cl)=C1O 73815 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.119 OC1=C(I)C=CC(I)=C1O C15671 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.245 CC1=C(CN)C(=O)NC=C1 F18093 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.245 CC1=CC=CC(Br)=C1CO D96259 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.245 CC1=CC=CC(N)=C1C=O F15844 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.245 CC1=CC=CC(N)=C1CO AC6550 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.245 CC1=NC=NC(C)=C1CO P11861 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.245 COC1=C(C)N=CN=C1Cl AT18342 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.245 COC1=C(Cl)C=CN=C1F 91699 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.245 COC1=C(I)C=CC=C1Cl C90767 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.245 COC1=C(I)C=CN=C1Cl AT13793 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.245 COC1=C(I)C=CN=C1F AT19119 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.245 COC1=C(O)C=CC=C1N AT15764 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.245 COC1=C(O)C=CN=C1F 91686 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.245 OCC1=C(Br)C=CC=C1Cl C91616 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.245 OCC1=C(Br)C=CC=C1O 75753 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.245 OCC1=C(I)C=CN=C1Cl 77407 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.50 CC1=C(C)C(O)=NO1 AT21054 [0,0,0,0,1,0|2,0,1]=4 143 B8R1.50 CC1=C(Cl)C(N)=NO1 AT19795 [0,0,0,0,1,0|3,0,0]=4 144 B8R1.50 CC1=CC=C(C)N1N AT25958 [0,0,0,0,1,0|3,0,0]=4 145 B8R1.50 CC1=NOC(C)=C1Cl D76793 [0,0,0,0,1,0|3,0,0]=4 146 B7R0.2 C=CC(=O)C=C(C)C F12626 [1,0,1,0,0,0|1,0,0]=3 147 B7R0.4 COC\C=C\C(=O)O P17072 [1,0,1,0,0,0|2,0,0]=4 148 B7R1.3 ClC1=CC=NC=C1 F17303 [2,0,0,0,0,0|2,0,0]=4 149 B7R1.3 FC1=CC=NC=C1 F19691 [2,0,0,0,0,0|2,0,0]=4 150 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [2,0,0,0,0,0|2,0,0]=4 151 B7R1.3 OC1=CN=NC=C1 O12057 [2,0,0,0,0,0|2,0,0]=4 152 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.3 [2H]C1=CC=CC=C1 D98570 [2,0,0,0,0,0|2,0,0]=4 154 B7R1.3 [2H]C1=CC=NC=C1 D98795 [2,0,0,0,0,0|2,0,0]=4 155 B7R1.3 [2H]C1=NC=CC=C1 D98277 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.2 CC1=CC(C=O)=NC=N1 AT18315 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.2 CC1=NC=CC(NN)=C1 F16202 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.2 NC1=NC=CC(C=O)=C1 O10660 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.2 NCC1=CC(=O)NC=C1 37540 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.2 NCC1=NC=CC(N)=C1 77886 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.34 CC1=CC(Cl)=CC(F)=N1 91500 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.34 CC1=CC(F)=CC(F)=N1 C16435 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.34 CC1=CC(I)=CC(C)=N1 O11249 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.34 CC1=CC(N)=CC(=O)O1 W11226 [1,1,0,0,0,0|1,0,0]=3 172 B9R1.34 CC1=CC(N)=CC(O)=N1 D80759 [1,1,0,0,0,0|2,0,0]=4 173 B9R1.34 CC1=CC(O)=CC(Cl)=N1 C15794 [1,1,0,0,0,0|1,0,1]=4 174 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.69 CC1=C(N)C=CC(S)=C1 AT20958 [1,1,0,0,0,0|1,1,0]=4 176 B9R1.69 CC1=C(S)C=CC(Br)=C1 AT20848 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.69 CC1=CC(I)=C(O)C=N1 96425 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.69 CC1=CC(N)=C(S)C=C1 AT19644 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.69 CC1=CC(S)=C(Cl)C=C1 AT20814 [1,1,0,0,0,0|1,1,0]=4 180 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19639 [1,1,0,0,0,0|1,1,0]=4 181 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19640 [1,1,0,0,0,0|1,1,0]=4 182 B9R1.69 CC1=CC=C(I)C(=O)N1 93733 [1,1,0,0,0,0|2,0,0]=4 183 B9R1.69 CC1=NC(=O)C(N)=CN1 O11345 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.69 CC1=[N+]([O-])C=CC(Cl)=C1 AT14034 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.69 CN1C=CC(=O)C=C1Br C73679 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.15 C#CC1=CC=CN=C1C AT12964 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.15 CC1=C(CO)C=NC=N1 F31023 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.15 CC1=CC=CN=C1CBr D97530 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.15 CCC1=CC=CN=C1C 75814 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.15 COC1=C(C)C=NC=C1 D74380 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.15 ClC1=CC=CN=C1CBr 79180 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.15 ClC1=CC=CN=C1CBr 86640 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.15 N#CC1=C(O)C=NC=C1 AT12828 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [1,1,0,0,0,0|1,0,0]=3 201 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.15 O=CC1=CNC=CC1=O O11278 [1,1,0,0,0,0|1,0,1]=4 203 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.27 CC1=C(CO)C(Br)=NO1 AT19719 [0,1,0,0,1,0|2,0,0]=4 206 B9R1.27 CC1=CSC(C)=C1CO 93334 [0,1,0,0,1,0|1,1,0]=4 207 B9R1.37 CC1=C(Cl)C(=O)OC1=O F53489 [0,1,0,0,1,0|2,0,0]=4 208 B9R1.37 CC1=C(O)[C@H](C)OC1=O 91383 [0,1,0,0,1,0|1,0,1]=4 209 B9R1.132 CC1=C(C)C(C=O)=CS1 AT17088 [0,1,0,0,1,0|1,1,0]=4 210 B11R1.8 CC1=CC(C=O)=C(N)C(C)=C1 F15846 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.8 CC1=CC(Cl)=CC(C=O)=C1N F15856 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.8 CC1=CC(I)=CC(C=O)=C1N F15858 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.8 COC1=CC(Br)=CC(Cl)=C1O AC1897 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.13 C=CCC1=C(O)C(C)=CC=C1 AC5932 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.72 CC1=C(C)C(C=O)=C(F)C=C1 F18339 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.72 CC1=C(I)C=CC(F)=C1CO 55399 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.72 CC1=C(O)C=CC(Br)=C1CO 56656 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.72 COC1=C(Br)C=CC(Cl)=C1C AT17643 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.72 COC1=C(Br)C=CC(F)=C1O F15494 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.159 CC(C)C1=CC=CC(Br)=C1O C91212 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.159 CC1=C(O)C(B(O)O)=CC=C1 D71388 [0,2,0,0,0,0|1,0,1]=4 222 B11R1.159 CC1=CC=CC(C(N)=O)=C1Cl D87582 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.159 CC1=CC=CC(C(N)=O)=C1O AC4144 [0,2,0,0,0,0|1,0,0]=3 224 B11R1.159 CC1=CN=CC(C(=O)O)=C1O AT13143 [0,2,0,0,0,0|2,0,0]=4 225 B11R1.159 CC1=NC=CC(C(=O)O)=C1C D87767 [0,2,0,0,0,0|2,0,0]=4 226 B11R1.159 O=C(O)C1=CC=CC(I)=C1O AT10718 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.265 CCC1=CC=CC(O)=C1OC O11000 [0,2,0,0,0,0|1,0,1]=4 228 B11R1.265 COC1=C(Br)C=CC=C1CO W15450 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.265 COC1=C(C=O)C=CN=C1F 91703 [0,2,0,0,0,0|2,0,0]=4 230 B11R1.265 COC1=C(CBr)C=CC=C1F 55557 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.265 COC1=C(CCl)C=CC=C1F 55555 [0,2,0,0,0,0|2,0,0]=4 232 B11R1.265 COC1=C(CN)C=CC=C1C N12978 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.265 COC1=C(CO)C(N)=CC=C1 AC4741 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.265 COC1=C(CO)C=CC=C1C N12737 [0,2,0,0,0,0|1,0,1]=4 235 B11R1.265 COC1=C(F)C=CC=C1CN N14224 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.267 CCC1=CC=CC(OC)=C1O O10769 [0,2,0,0,0,0|1,0,1]=4 237 B11R1.267 COC1=C(F)C(C=O)=CC=N1 AT18197 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.267 O=CC1=C(Br)C(CO)=CC=C1 I11841 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.278 CC1=C(Br)C=CC(C=O)=C1C 97129 [0,2,0,0,0,0|2,0,0]=4 240 B11R1.278 CC1=C(Cl)C=CC(C=O)=C1N F15853 [0,2,0,0,0,0|2,0,0]=4 241 B11R1.464 COC1=C(O)C=C(Br)C=C1C AT22245 [0,2,0,0,0,0|1,0,1]=4 242 B11R1.156 CC1=CC=CC(I)=C1C(=O)O 81915 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.156 CC1=NC=CC(Cl)=C1C(=O)O C16695 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.605 CCOC1=C(Br)C=CC=C1C N10239 [0,2,0,0,0,0|2,0,0]=4 245 B9R1.41 CC(=O)C1=C(Br)C=CO1 AT17466 [0,0,1,1,0,0|1,0,1]=4 246 B9R1.41 CC1=C(C(=O)Cl)OC=N1 AT23456 [0,0,1,1,0,0|2,0,0]=4 247 B9R1.41 CC1=C(C(N)=O)N=CO1 58493 [0,0,1,1,0,0|2,0,0]=4 248 B9R1.22 CC1=CC(C=O)=C(C)O1 AT17481 [0,0,1,1,0,0|1,0,1]=4 249 B9R1.22 CC1=NC(C=O)=C(C)O1 S11308 [0,0,1,1,0,0|1,0,1]=4 250 B11R2.106 ClC1=C2OCCC2=CC=C1 F53809 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.2 CC1=CC(Br)=CO1 I11460 [1,0,0,0,1,0|1,0,0]=3 252 B7R1.2 CC1=CC(N)=CS1 27442 [1,0,0,0,1,0|1,1,0]=4 253 B7R1.2 CC1=CC=C(S)S1 AT16550 [1,0,0,0,1,0|1,1,0]=4 254 B7R1.2 CC1=CSC(N)=C1 N12877 [1,0,0,0,1,0|2,0,0]=4 255 B7R1.2 CC1=CSC(N)=C1 S11464 [1,0,0,0,1,0|2,0,0]=4 256 B7R1.2 CC1=CSC(S)=C1 AT16548 [1,0,0,0,1,0|1,1,0]=4 257 B7R1.2 CN1C=CC(N)=C1 77871 [1,0,0,0,1,0|2,0,0]=4 258 B7R1.4 CC1=C(Br)OC=C1 F53471 [1,0,0,0,1,0|2,0,0]=4 259 B7R1.4 CC1=C(N)C=NO1 AT19805 [1,0,0,0,1,0|2,0,0]=4 260 B7R1.4 CC1=C(S)C=CS1 A10974 [1,0,0,0,1,0|0,2,0]=4