0 B8R1.11 C1=COC(=C1Br)C=O B181580 [0,0,0,0,0,0|3,1,0]=4 1 B8R1.11 C1=CSC(=C1Br)C=O B123868 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.11 C1=CSC(=C1C=O)Br B191744 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.11 C1=NC(=C(N1)C#N)N A151398 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.11 CC1=C(C=CO1)SC M102940 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.11 CC1=C(C=NN1)C=O M137435 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.11 CC1=C(N=CN1)C=O W136827 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.11 CC1=C(N=CN1)CO H136151 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.11 CC1=C(N=CN1)CO H157127 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.11 CC1=C(SC=C1)C#N M185184 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.11 CC1=C(SC=C1)C=O M157936 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.11 CC1=C(SC=N1)C=C M124074 [0,0,0,0,0,0|0,0,0]=0 12 B8R1.11 CC1=C(SC=N1)C=O M137054 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.11 CCN1C=CN=C1C E588107 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.11 CN1C(=CC=N1)C=O M138592 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.11 CN1C=CC=C1C=O M158153 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.11 CN1C=CN=C1C=O M123088 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.1 C#CC1=CC=CS1 E107746 [1,0,0,0,0,0|1,0,2]=4 18 B7R1.1 C1=C(C=NN1)C=O H172485 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 C1=C(C=NN1)C=O H176240 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 C1=C(N=CO1)C=O O159993 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 C1=C(N=CS1)C=O T135085 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 C1=C(NC=N1)C#N H185287 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.1 C1=C(NC=N1)C=O I124241 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.1 C1=C(NC=N1)CO H113059 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.1 C1=C(NC=N1)CO I137052 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.1 C1=C(NN=C1)C=O P140216 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 C1=C(SC=N1)C=O W132585 [1,0,0,0,0,0|1,0,0]=2 28 B7R1.1 C1=C(SC=N1)CCl C586959 [1,0,0,0,0,0|1,0,1]=3 29 B7R1.1 C1=C(SC=N1)CN T302352 [1,0,0,0,0,0|1,0,1]=3 30 B7R1.1 C1=C(SC=N1)CO T119309 [1,0,0,0,0,0|1,0,1]=3 31 B7R1.1 C1=CNC(=C1)C=O P123130 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.1 C1=COC(=C1)C=O F100546 [1,0,0,0,0,0|2,1,0]=4 33 B7R1.1 C1=COC(=C1)C=O F100547 [1,0,0,0,0,0|2,1,0]=4 34 B7R1.1 C1=COC(=C1)C=O F100548 [1,0,0,0,0,0|2,1,0]=4 35 B7R1.1 C1=COC(=C1)C=O F336820 [1,0,0,0,0,0|2,1,0]=4 36 B7R1.1 C1=COC=C1C=O F122652 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 C1=CSC(=C1)C#N C153351 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 C1=CSC(=C1)C=O T107122 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.1 C1=CSC(=C1)CN T107120 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 C1=CSC(=C1)CO T162809 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.1 C1=CSC(=C1)CS T134394 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.1 C1=CSC(=N1)C=O T107968 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 C1=CSC=C1C=O T115194 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 C=CC1=CC=CS1 V305289 [1,0,0,0,0,0|1,0,0]=2 45 B7R1.1 C=CN1C=CN=C1 V109377 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.1 CCC1=CC=CS1 E101589 [1,0,0,0,0,0|1,0,2]=4 47 B7R1.1 CCC1=CN=CN1 E156331 [1,0,0,0,0,0|1,0,2]=4 48 B7R1.1 COC1=CC=CS1 M103170 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 CSC1=CC=CS1 M123048 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.4 C1=CSC(=C1Br)Br D100742 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.4 C1=CSC(=C1Br)Cl C101618 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.4 C1=CSC(=C1Cl)Cl D101858 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.4 C1=NC(=C(N1)Cl)Cl D154962 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.4 CC1=C(C=CO1)S M102912 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.4 CC1=C(C=CS1)Br B183547 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.4 CC1=C(N=CN1)C D589384 [1,0,0,0,0,0|1,0,1]=3 57 B7R1.4 CC1=C(SC=C1)Br B103181 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.4 CC1=C(SC=C1)C D135046 [1,0,0,0,0,0|1,0,1]=3 59 B7R1.4 CC1=C(SC=C1)Cl C101382 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.4 CC1=C(SC=N1)C D119298 [1,0,0,0,0,0|0,0,1]=2 61 B7R1.4 CC1=CC=NN1C D154766 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.4 CC1=NC=CN1C D106351 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.4 CN1C(=CC=N1)I I138694 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.4 CN1C(=CC=N1)N A180010 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.4 CN1C(=NC=N1)Br B138350 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.4 CN1C(=NC=N1)N M587441 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.4 CN1C(=O)CC=N1 M586169 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.14 C1=CSC(=C1C=O)C=O T102813 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.14 C1=NC(=C(N1)CO)CO B152371 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.14 COC1=C(OC=C1)C=O M303443 [0,1,0,0,0,0|2,1,0]=4 71 B9R1.22 C(=O)C1=C(N=C(S1)Cl)Cl D121873 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.22 C(=O)C1=C(N=C(S1)N)Cl A186515 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.22 CC1=C(SC(=N1)Br)CO B480089 [0,1,0,0,0,0|1,0,1]=3 74 B9R1.22 CC1=C(SC(=N1)C)CO D193615 [0,1,0,0,0,0|1,0,1]=3 75 B9R1.22 CC1=CC(=C(N1)C)C=O D478848 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.22 CC1=CC(=C(N1)C=O)C D155375 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.22 CC1=NN(C(=C1)C=O)C D588409 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.22 CC1=NN(C=C1C=O)C D192302 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.27 CC1=C(C(=NN1)C)C=O D137510 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.27 CC1=C(C(=NO1)C)C=O D135008 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.33 CC1=C(SC=N1)CCCl C153490 [0,1,0,0,0,0|0,0,2]=3 82 B9R1.33 CC1=C(SC=N1)CCO M106766 [0,1,0,0,0,0|0,0,2]=3 83 B9R1.33 CCOC1=C(N=CO1)C E193596 [0,1,0,0,0,0|0,1,2]=4 84 B9R1.41 C1=CSC(=C1Br)C(=O)O B153084 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.41 C1=CSC(=C1Cl)C(=O)O C171119 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.41 C1=CSC(=C1F)C(=O)O F156771 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.41 C1=NC(=C(N1)C(=O)N)N A124057 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.41 C1=NC(=C(N1)C(=O)N)N A135097 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.41 C1=NC(=C(N1)C(=O)N)O H185281 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.41 CC(=O)C1=C(C=CS1)Br A170327 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.41 CC1=C(C=CN1)C(=O)O M169971 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.41 CC1=C(C=CO1)C(=O)O M420052 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.41 CC1=C(N=CN1)C(=O)O M190975 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.41 CC1=C(NC=C1)C(=O)O M188022 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.41 CC1=C(NC=N1)[N+](=O)[O-] M167185 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.41 CC1=C(OC=C1)C(=O)Cl M168768 [0,1,0,0,0,0|2,1,0]=4 97 B9R1.41 CC1=C(OC=C1)C(=O)O M158537 [0,1,0,0,0,0|2,1,0]=4 98 B9R1.41 CC1=C(OC=N1)C(=O)O M134377 [0,1,0,0,0,0|1,1,0]=3 99 B9R1.41 CC1=C(SC=C1)C(=O)C A167103 [0,1,0,0,0,0|1,0,1]=3 100 B9R1.41 CC1=C(SC=C1)C(=O)Cl M135032 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.41 CC1=C(SC=C1)C(=O)O M157938 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.41 CC1=C(SC=N1)C(=O)C M170041 [0,1,0,0,0,0|0,0,1]=2 103 B9R1.41 CC1=C(SC=N1)C(=O)O M132712 [0,1,0,0,0,0|1,0,0]=2 104 B9R1.41 CC1=C(SN=N1)C(=O)O W132033 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.41 CC1=NOC=C1C(=O)O M123592 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.41 CC1=NON=C1C(=O)O M589575 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.41 CN1C(=CC=N1)C(=O)O M158359 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.132 C1=C(C(=C(S1)C=O)Br)Br D169599 [0,1,0,0,0,0|3,0,0]=4 109 B9R2.3 C1=CSC2=C1C=CS2 T135725 [0,0,0,1,0,0|2,0,1]=4 110 B9R2.3 C1=CSC2=C1SC=C2 T119992 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.2 C1=CN=C(C=C1C=O)Br B138072 [0,0,0,0,0,1|3,0,0]=4 112 B9R1.2 C1=CN=C(C=C1C=O)Cl W136070 [0,0,0,0,0,1|3,0,0]=4 113 B9R1.2 C1=CN=C(C=C1C=O)F F166943 [0,0,0,0,0,1|3,0,0]=4 114 B9R1.2 C=CC1=CC(=CC=C1)Br B121722 [0,0,0,0,0,1|3,0,0]=4 115 B9R1.2 C=CC1=CC(=CC=C1)Cl C121720 [0,0,0,0,0,1|3,0,0]=4 116 B9R1.2 C=CC1=CC(=CC=C1)Cl C140515 [0,0,0,0,0,1|3,0,0]=4 117 B9R1.2 C=CC1=CC(=CC=C1)F F121724 [0,0,0,0,0,1|3,0,0]=4 118 B9R1.2 C=CC1=CC(=CC=C1)N V138287 [0,0,0,0,0,1|3,0,0]=4 119 B9R1.2 CC1=CC(=CC=C1)C=C M158347 [0,0,0,0,0,1|2,0,0]=3 120 B9R1.2 CC1=CC(=CC=C1)C=O M157831 [0,0,0,0,0,1|3,0,0]=4 121 B9R1.2 CC1=CC(=NC=C1)C=O M124675 [0,0,0,0,0,1|3,0,0]=4 122 B9R1.2 CC1=NC(=CC=C1)C=O M101568 [0,0,0,0,0,1|3,0,0]=4 123 B9R1.2 CC1=NC=CC(=C1)CO M573438 [0,0,0,0,0,1|2,0,1]=4 124 B9R1.2 CC1=NC=CC(=C1)OC M183081 [0,0,0,0,0,1|2,0,1]=4 125 B9R1.15 C1=CC(=C(N=C1)Br)C=O B107726 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.15 C1=CC(=C(N=C1)Cl)C=O C107725 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.15 C1=CC(=C(N=C1)Cl)C=O C639107 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.15 C1=CC(=C(N=C1)F)C=O F169927 [0,0,0,0,0,1|3,0,0]=4 129 B9R1.15 C1=CC(=C(N=C1)N)C=O A115308 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.15 C1=CN=C(C(=N1)C=O)N A176139 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.15 C1=CN=CC(=C1C=O)Br B120658 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.15 C1=CN=CC(=C1C=O)Cl C120657 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.15 C1=CN=CC(=C1C=O)F F120653 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.15 C1=CN=CC(=C1C=O)O H182294 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.15 C=CC1=CC=CC=C1Br B102182 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.15 C=CC1=CC=CC=C1Br B140775 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.15 C=CC1=CC=CC=C1Cl C121721 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.15 C=CC1=CC=CC=C1Cl C492343 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.15 C=CC1=CC=CC=C1F F121723 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.15 C=CC1=CC=CC=C1F F398479 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.15 C=CC1=CC=CC=C1N V303619 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.15 CC1=C(C=CC=N1)C#N M174953 [0,0,0,0,0,1|2,0,1]=4 143 B9R1.15 CC1=C(C=CC=N1)C=O M176904 [0,0,0,0,0,1|2,0,0]=3 144 B9R1.15 CC1=C(C=CC=N1)CO W136400 [0,0,0,0,0,1|2,0,1]=4 145 B9R1.15 CC1=C(N=CC=C1)C=O M120655 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.15 CC1=CC=CC=C1C=C M100795 [0,0,0,0,0,1|2,0,0]=3 147 B9R1.15 CC1=CC=CC=C1C=O O159892 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.15 CC1=NC=CN=C1CO M174600 [0,0,0,0,0,1|2,0,1]=4 149 B9R1.15 CC1=NC=CN=C1OC M102551 [0,0,0,0,0,1|2,0,1]=4 150 B9R1.15 CC1=NC=CN=C1SC M102553 [0,0,0,0,0,1|2,0,1]=4 151 B9R1.15 CCC1=NC=CN=C1C E105685 [0,0,0,0,0,1|1,0,2]=4 152 B6R0.6 CC=CC=CC=O H156882 [1,0,1,0,0,0|2,0,0]=4 153 B6R1.2 C1=C(N=CS1)Br B122730 [2,0,0,0,0,0|1,0,0]=3 154 B6R1.2 C1=C(NC=N1)Br B119330 [2,0,0,0,0,0|2,0,0]=4 155 B6R1.2 C1=C(NC=N1)F F176048 [2,0,0,0,0,0|2,0,0]=4 156 B6R1.2 C1=C(NC=N1)I I115819 [2,0,0,0,0,0|2,0,0]=4 157 B6R1.2 C1=C(SC=N1)Br B119307 [2,0,0,0,0,0|1,0,0]=3 158 B6R1.2 C1=C(SC=N1)N A482119 [2,0,0,0,0,0|1,0,0]=3 159 B6R1.2 C1=C(SC=N1)N T587693 [2,0,0,0,0,0|1,0,0]=3 160 B6R1.2 C1=C(SN=N1)N A135511 [2,0,0,0,0,0|2,0,0]=4 161 B6R1.2 C1=CSC(=C1)Br B107006 [2,0,0,0,0,0|2,0,0]=4 162 B6R1.2 C1=CSC(=C1)Cl C106575 [2,0,0,0,0,0|2,0,0]=4 163 B6R1.2 C1=CSC(=C1)I I107041 [2,0,0,0,0,0|2,0,0]=4 164 B6R1.2 C1=CSC(=C1)S T100899 [2,0,0,0,0,0|2,0,0]=4 165 B6R1.2 C1=CSC=C1Br B103164 [2,0,0,0,0,0|2,0,0]=4 166 B6R1.2 C1=CSC=C1Cl C101614 [2,0,0,0,0,0|2,0,0]=4 167 B6R1.2 C1=CSC=C1F F156769 [2,0,0,0,0,0|2,0,0]=4 168 B6R1.2 C1=CSC=C1I I165643 [2,0,0,0,0,0|2,0,0]=4 169 B6R1.2 C1=CSC=C1N D303790 [2,0,0,0,0,0|2,0,0]=4 170 B6R1.2 C1=CSC=C1N T588427 [2,0,0,0,0,0|2,0,0]=4 171 B6R1.2 C1=NN=C(S1)Br W134703 [2,0,0,0,0,0|2,0,0]=4 172 B6R1.2 C1=NN=C(S1)N A151011 [2,0,0,0,0,0|2,0,0]=4 173 B6R1.2 C1=NNC(=S)S1 M107534 [2,0,0,0,0,0|2,0,0]=4 174 B6R1.2 CC1=CC=CN1 M185725 [2,0,0,0,0,0|1,0,1]=4 175 B6R1.2 CC1=CC=CO1 M110932 [2,0,0,0,0,0|2,0,0]=4 176 B6R1.2 CC1=CC=CS1 M109554 [2,0,0,0,0,0|1,0,1]=4 177 B6R1.2 CC1=CN=CN1 M112296 [2,0,0,0,0,0|1,0,1]=4 178 B6R1.2 CC1=CN=CS1 M124661 [2,0,0,0,0,0|0,0,1]=3 179 B6R1.2 CC1=CNC=C1 M139090 [2,0,0,0,0,0|2,0,0]=4 180 B6R1.2 CC1=COC=C1 M158541 [2,0,0,0,0,0|1,1,0]=4 181 B6R1.2 CC1=CSC=C1 M113676 [2,0,0,0,0,0|1,0,0]=3 182 B6R1.2 CC1=CSC=N1 M103108 [2,0,0,0,0,0|0,0,0]=2 183 B6R1.2 CC1=NC=CN1 M104839 [2,0,0,0,0,0|2,0,0]=4 184 B6R1.2 CC1=NC=CS1 M299351 [2,0,0,0,0,0|2,0,0]=4 185 B6R1.2 CC1=NC=C[N-]1 Z282555 [2,0,0,0,0,0|2,0,0]=4 186 B6R1.2 CC1=NC=NN1 M177267 [2,0,0,0,0,0|2,0,0]=4 187 B6R1.2 CN1C=CC=N1 M107967 [2,0,0,0,0,0|2,0,0]=4 188 B6R1.2 CN1C=NC=N1 M139070 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.1 C1=C(SC(=C1)Br)C=O B101864 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.1 C1=C(SC(=C1)Cl)C=O C123084 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.1 C1=C(SC(=N1)Br)C#N B184553 [1,1,0,0,0,0|1,0,1]=4 192 B8R1.1 C1=C(SC(=N1)Br)CO B186024 [1,1,0,0,0,0|1,0,1]=4 193 B8R1.1 C1=C(SC(=N1)Cl)C#N W134184 [1,1,0,0,0,0|1,0,1]=4 194 B8R1.1 C1=C(SC(=N1)Cl)C=O C139486 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.1 C1=C(SC(=N1)N)C#N W133465 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.1 C1=C(SC(=N1)N)C=O A165357 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.1 C1=C(SC(=N1)N)C=O A195849 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.1 C1=C(SC=C1Br)C=O B153194 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.1 CC1=CC=C(S1)C=O M157937 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.1 CC1=CSC(=C1)C=O M171140 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.1 CC1=NC=C(S1)C=O M586094 [1,1,0,0,0,0|1,0,0]=3 202 B8R1.7 C1=C(NC=N1)C(=O)N H303286 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.7 C1=C(NC=N1)C(=O)O I111403 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.7 C1=C(NC=N1)C(=S)S I139315 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.7 C1=C(OC=N1)C(=O)O O138079 [1,1,0,0,0,0|1,1,0]=4 206 B8R1.7 C1=C(SC=N1)C(=O)N T339940 [1,1,0,0,0,0|1,0,0]=3 207 B8R1.7 C1=C(SC=N1)C(=O)O T405006 [1,1,0,0,0,0|1,0,0]=3 208 B8R1.7 C1=CSC(=C1)C(=O)Cl T162807 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.7 C1=CSC(=C1)C(=O)Cl T471243 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.7 C1=CSC(=C1)C(=O)N T162813 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.7 C1=CSC(=C1)C(=O)O T107125 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.7 C1=CSC(=C1)C(=O)[O-] C115572 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.7 C1=CSC(=C1)C(=S)N T302722 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.7 CC(=O)C1=CC=CS1 A109378 [1,1,0,0,0,0|1,0,1]=4 215 B8R1.7 CC(=O)C1=CN=CN1 A194232 [1,1,0,0,0,0|1,0,1]=4 216 B8R1.8 C1=CSC(=C1)C=NO T169362 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.8 C=CCN1C=CN=C1 A151399 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.18 CC1=C(OC(=N1)Br)C B586742 [1,1,0,0,0,0|0,1,1]=4 219 B8R1.18 CC1=C(SC(=C1)Br)Br D155842 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.18 CC1=C(SC(=C1)Cl)Cl D155854 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.18 CC1=C(SC(=N1)C)C T161779 [1,1,0,0,0,0|0,0,1]=3 222 B8R1.18 CC1=C(SC(=N1)N)C A122571 [1,1,0,0,0,0|0,0,1]=3 223 B8R1.18 CC1=C(SC(=N1)N)C A151214 [1,1,0,0,0,0|0,0,1]=3 224 B8R1.18 CC1=CC(=C(S1)C)C T162829 [1,1,0,0,0,0|1,0,1]=4 225 B8R1.50 CC1=C(SC=C1Br)C B469047 [1,1,0,0,0,0|1,0,1]=4 226 B8R1.50 CC1=C(SC=[N+]1C)C T282320 [1,1,0,0,0,0|0,0,2]=4 227 B10R1.8 C=CC1=NC(=NC(=N1)N)N V162940 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.10 CC1=CC(=CC=C1)CC=C A169645 [0,1,0,0,0,1|2,0,0]=4 229 B10R1.30 CC1=CC(=C(C=C1)C)C=C D168401 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.113 CC1=CC(=CC=C1)C(=C)C D302222 [0,1,0,0,0,1|2,0,0]=4 231 B10R1.113 CC1=NC=CC(=C1)C(=O)O M119074 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.172 COC1=CC=CC(=C1)C=C V339129 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.172 COC1=NC=CC(=C1)C=O M177294 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.172 CSC1=NC=CC(=N1)C=O M171907 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.4 CC1=CC=CC=C1CC=C A167621 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.20 CCC1=CC=CC=C1C=C D123847 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.20 CCC1=CC=CC=C1C=C D123848 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.20 CCC1=CC=CC=C1C=C D123850 [0,1,0,0,0,1|2,0,0]=4 239 B10R1.20 CCC1=CC=CC=C1C=C D123852 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.20 CCC1=CC=CC=C1C=C D123854 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.20 CCC1=CC=CC=C1C=C D123856 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.20 CCC1=CC=CC=C1C=C D123857 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.20 CCC1=CC=CC=C1C=C D492376 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.25 CC1=C(C=CC(=N1)Cl)C=O C187655 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.61 CC1=C(C=CC=N1)C(=O)O M157827 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.61 CC1=C(C=CN=C1)C(=O)O M303660 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.61 CC1=CC=CC=C1C(=C)C I157557 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.61 CC1=NC=CN=C1C(=O)C A113965 [0,1,0,0,0,1|1,0,1]=4 249 B10R1.61 CC1=NC=NC=C1C(=O)O M167596 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.59 CC1=C(SC(=C1)Br)C(=O)O B588952 [0,2,0,0,0,0|2,0,0]=4 251 B10R1.59 CC1=C(SC(=N1)Br)C(=O)C B573567 [0,2,0,0,0,0|0,0,1]=3 252 B10R1.59 CC1=C(SC(=N1)Br)C(=O)O B136311 [0,2,0,0,0,0|1,0,0]=3 253 B10R1.59 CC1=C(SC(=N1)C)C(=O)C A151209 [0,2,0,0,0,0|0,0,1]=3 254 B10R1.59 CC1=C(SC(=N1)C)C(=O)O D135960 [0,2,0,0,0,0|1,0,0]=3 255 B10R1.59 CC1=C(SC(=N1)N)C(=O)C A101253 [0,2,0,0,0,0|0,0,1]=3 256 B10R1.59 CC1=C(SC(=N1)N)C(=O)O A140221 [0,2,0,0,0,0|1,0,0]=3 257 B10R1.130 CC1=C(SC(=N1)N)CCN A274896 [0,2,0,0,0,0|0,0,2]=4 258 B10R1.149 CC1=C(SC=C1)C(=O)OC M123030 [0,2,0,0,0,0|1,0,1]=4 259 B10R1.149 CC1=C(SC=C1)C(=O)OC M196936 [0,2,0,0,0,0|1,0,1]=4 260 B10R1.194 CC1=C(SC=C1Br)C(=O)O B330826 [0,2,0,0,0,0|2,0,0]=4 261 B8R1.2 C=CC1=CC=NC=C1 P303219 [0,0,1,1,0,0|1,0,1]=4 262 B8R1.2 C=CC1=CC=NC=C1 P303220 [0,0,1,1,0,0|1,0,1]=4 263 B8R1.2 C=CC1=CC=NC=C1 P466518 [0,0,1,1,0,0|1,0,1]=4 264 B8R1.2 C=CC1=CC=NC=C1 V105595 [0,0,1,1,0,0|1,0,1]=4 265 B8R1.5 CC1=C(C=CC=N1)Br B120553 [0,0,1,1,0,0|2,0,0]=4 266 B8R1.5 CC1=C(C=CC=N1)F F191212 [0,0,1,1,0,0|2,0,0]=4 267 B8R1.5 CC1=C(C=CC=N1)N A103064 [0,0,1,1,0,0|2,0,0]=4 268 B8R1.5 CC1=C(C=CC=N1)O H122390 [0,0,1,1,0,0|2,0,0]=4 269 B8R1.5 CC1=C(N=CC=C1)C L109204 [0,0,1,1,0,0|1,0,1]=4 270 B8R1.5 CC1=NC=NC=C1Br B181501 [0,0,1,1,0,0|2,0,0]=4 271 B8R1.4 C1=CC(=CC(=C1)Br)S B106987 [0,0,1,1,0,0|2,0,0]=4 272 B8R1.4 C1=CC(=CC(=C1)Cl)S C101765 [0,0,1,1,0,0|2,0,0]=4 273 B8R1.4 C1=CC(=CC(=C1)S)F F101760 [0,0,1,1,0,0|2,0,0]=4 274 B8R1.4 C1=CC(=CC(=C1)S)N A107495 [0,0,1,1,0,0|2,0,0]=4 275 B8R1.4 C1=CC(=CC(=C1)S)O M101785 [0,0,1,1,0,0|2,0,0]=4 276 B8R1.4 C1=CC(=CC(=C1)S)S B152749 [0,0,1,1,0,0|2,0,0]=4 277 B8R1.4 C1=CC(=NC(=C1)Br)Br D101563 [0,0,1,1,0,0|2,0,0]=4 278 B8R1.4 C1=CC(=NC(=C1)Br)Cl B136352 [0,0,1,1,0,0|2,0,0]=4 279 B8R1.4 C1=CC(=NC(=C1)Br)F B119637 [0,0,1,1,0,0|2,0,0]=4 280 B8R1.4 C1=CC(=NC(=C1)Br)N A119408 [0,0,1,1,0,0|2,0,0]=4 281 B8R1.4 C1=CC(=NC(=C1)Cl)Cl D105924 [0,0,1,1,0,0|2,0,0]=4 282 B8R1.4 C1=CC(=NC(=C1)Cl)F C182701 [0,0,1,1,0,0|2,0,0]=4 283 B8R1.4 C1=CC(=NC(=C1)Cl)N A101565 [0,0,1,1,0,0|2,0,0]=4 284 B8R1.4 C1=CC(=NC(=C1)F)F D124337 [0,0,1,1,0,0|2,0,0]=4 285 B8R1.4 C1=CC(=NC(=C1)F)N F132264 [0,0,1,1,0,0|2,0,0]=4 286 B8R1.4 C1=CC(=NC(=C1)I)Br B120455 [0,0,1,1,0,0|2,0,0]=4 287 B8R1.4 C1=CC(=NC(=C1)I)Cl C169092 [0,0,1,1,0,0|2,0,0]=4 288 B8R1.4 C1=CC(=NC(=C1)I)N I195545 [0,0,1,1,0,0|2,0,0]=4 289 B8R1.4 C1=CC(=NC(=C1)N)N D106446 [0,0,1,1,0,0|2,0,0]=4 290 B8R1.4 CC1=CC(=CC=C1)Br B104640 [0,0,1,1,0,0|2,0,0]=4 291 B8R1.4 CC1=CC(=CC=C1)C X103345 [0,0,1,1,0,0|2,0,0]=4 292 B8R1.4 CC1=CC(=CC=C1)C X103348 [0,0,1,1,0,0|2,0,0]=4 293 B8R1.4 CC1=CC(=CC=C1)C X103350 [0,0,1,1,0,0|2,0,0]=4 294 B8R1.4 CC1=CC(=CC=C1)C X119707 [0,0,1,1,0,0|2,0,0]=4 295 B8R1.4 CC1=CC(=CC=C1)Cl C104627 [0,0,1,1,0,0|2,0,0]=4 296 B8R1.4 CC1=CC(=CC=C1)F F123650 [0,0,1,1,0,0|2,0,0]=4 297 B8R1.4 CC1=CC(=CC=C1)I I102000 [0,0,1,1,0,0|2,0,0]=4 298 B8R1.4 CC1=CC(=CC=C1)N M158301 [0,0,1,1,0,0|2,0,0]=4 299 B8R1.4 CC1=CC(=CC=C1)N T110548 [0,0,1,1,0,0|2,0,0]=4 300 B8R1.4 CC1=CC(=CC=C1)N T110549 [0,0,1,1,0,0|2,0,0]=4 301 B8R1.4 CC1=CC(=CC=C1)N T110550 [0,0,1,1,0,0|2,0,0]=4 302 B8R1.4 CC1=CC(=CC=C1)O C108242 [0,0,1,1,0,0|1,1,0]=4 303 B8R1.4 CC1=CC(=CC=C1)O C108243 [0,0,1,1,0,0|1,1,0]=4 304 B8R1.4 CC1=CC(=CC=C1)O C108245 [0,0,1,1,0,0|1,1,0]=4 305 B8R1.4 CC1=CC(=CC=C1)O C108246 [0,0,1,1,0,0|1,1,0]=4 306 B8R1.4 CC1=CC(=CC=C1)O C108247 [0,0,1,1,0,0|1,1,0]=4 307 B8R1.4 CC1=CC(=CC=C1)S M100575 [0,0,1,1,0,0|1,0,0]=3 308 B8R1.4 CC1=CC(=NC=C1)C L109206 [0,0,1,1,0,0|1,0,1]=4 309 B8R1.4 CC1=CC(=NC=N1)C W132404 [0,0,1,1,0,0|1,0,1]=4 310 B8R1.4 CC1=CC(=O)NC=N1 H587427 [0,0,1,1,0,0|2,0,0]=4 311 B8R1.4 CC1=CC(=O)NC=N1 W133669 [0,0,1,1,0,0|2,0,0]=4 312 B8R1.4 CC1=CC=CC(=O)N1 H107721 [0,0,1,1,0,0|0,1,1]=4 313 B8R1.4 CC1=CC=CC(=S)N1 M168093 [0,0,1,1,0,0|0,0,2]=4 314 B8R1.4 CC1=CN=CC(=N1)Br B188210 [0,0,1,1,0,0|2,0,0]=4 315 B8R1.4 CC1=CN=CC(=N1)C D154789 [0,0,1,1,0,0|2,0,0]=4 316 B8R1.4 CC1=CN=CC(=N1)Cl C136298 [0,0,1,1,0,0|2,0,0]=4 317 B8R1.4 CC1=CN=CC(=N1)N A185169 [0,0,1,1,0,0|2,0,0]=4 318 B8R1.4 CC1=NC(=CC=C1)Br B101571 [0,0,1,1,0,0|1,0,0]=3 319 B8R1.4 CC1=NC(=CC=C1)C L105811 [0,0,1,1,0,0|1,0,0]=3 320 B8R1.4 CC1=NC(=CC=C1)C L105812 [0,0,1,1,0,0|1,0,0]=3 321 B8R1.4 CC1=NC(=CC=C1)Cl C124344 [0,0,1,1,0,0|1,0,0]=3 322 B8R1.4 CC1=NC(=CC=C1)F F119659 [0,0,1,1,0,0|1,0,0]=3 323 B8R1.4 CC1=NC(=CC=C1)N A107178 [0,0,1,1,0,0|1,0,0]=3 324 B8R1.4 CC1=NC(=NC=C1)Br B123490 [0,0,1,1,0,0|2,0,0]=4 325 B8R1.4 CC1=NC(=NC=C1)Cl C120475 [0,0,1,1,0,0|2,0,0]=4 326 B8R1.4 CC1=NC(=NC=C1)N A115152 [0,0,1,1,0,0|2,0,0]=4 327 B8R1.4 CC1=NC=CC(=C1)Br B120727 [0,0,1,1,0,0|2,0,0]=4 328 B8R1.4 CC1=NC=CC(=C1)Br B591103 [0,0,1,1,0,0|2,0,0]=4 329 B8R1.4 CC1=NC=CC(=C1)Cl C133675 [0,0,1,1,0,0|2,0,0]=4 330 B8R1.4 CC1=NC=CC(=C1)N A103053 [0,0,1,1,0,0|2,0,0]=4 331 B8R1.4 CC1=NC=CC(=N1)Cl C153539 [0,0,1,1,0,0|2,0,0]=4 332 B8R1.4 CC1=NC=CC(=N1)N M194871 [0,0,1,1,0,0|2,0,0]=4 333 B10R2.7 C1=CC2=C(NC=C2)N=C1 A124841 [0,0,0,1,0,1|2,0,0]=4 334 B10R2.7 C1=CNC2=C1C=CN=C2 A140209 [0,0,0,1,0,1|2,0,0]=4 335 B10R2.7 C1=CNC2=NC=CN=C21 H176557 [0,0,0,1,0,1|2,0,0]=4 336 B10R2.7 C1=CNC2=NC=NC=C21 P120450 [0,0,0,1,0,1|2,0,0]=4 337 B10R2.7 C1C=CC2=CC=CC=C21 I105567 [0,0,0,1,0,1|2,0,0]=4 338 B10R2.7 C1C=CC2=CC=CC=C21 I105568 [0,0,0,1,0,1|2,0,0]=4 339 B10R2.7 C1C=CC2=CC=CC=C21 I105569 [0,0,0,1,0,1|2,0,0]=4 340 B10R2.32 C1=CSC2=C1SC=C2Br B152932 [0,1,0,1,0,0|2,0,0]=4