0 B7R1.2 BrC1=CSC(Br)=C1 OR10849 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.2 CC1=CC(=O)CC1 OR17891 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.2 CC1=CC(=O)NO1 OR2998 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.2 CC1=CC(Br)=CS1 OR51728 [0,0,0,0,0,0|1,1,1]=3 4 B7R1.2 CC1=CC(C)=NN1 OR28782 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.2 CC1=CC(N)=NN1 OR3015 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 CC1=CC(N)=NO1 OR28614 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.2 CC1=CC=C(Br)S1 OR15029 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 CC1=CC=C(C)O1 OR28939 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CC1=CC=C(C)S1 OR10142 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CC1=CC=C(I)S1 OR61040 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 CC1=CC=C(N)S1 OR19530 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 CC1=CN=C(Br)S1 OR40428 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.2 CC1=CN=C(C)S1 OR61055 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CC1=CN=C(N)S1 OR1207 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.2 CC1=CNC(Br)=N1 OR1205 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.2 CC1=CNC(C)=C1 OR9930 [0,0,0,0,0,0|2,0,1]=3 17 B7R1.2 CC1=CNC(C)=N1 OR54335 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 CC1=COC(N)=N1 OR18426 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 CC1=CSC(Br)=N1 OR2600 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.2 CC1=CSC(N)=N1 OR7736 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.2 CC1=CSC(S)=N1 OR18300 [0,0,0,0,0,0|3,1,0]=4 22 B7R1.2 CC1=NC(Br)=CN1 OR10370 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.2 CC1=NC(Br)=CS1 OR8527 [0,0,0,0,0,0|2,1,1]=4 24 B7R1.2 CC1=NC(I)=CN1 OR322249 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.2 CC1=NC=C(Br)S1 OR40092 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 CC1=NN=C(Br)O1 OR18029 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 CC1=NN=C(Br)S1 OR40731 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.2 CC1=NN=C(C)S1 OR24865 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 CC1=NN=C(N)N1 OR01571 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.2 CC1=NN=C(N)S1 OR28803 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.2 CC1=NN=C(S)S1 OR9661 [0,0,0,0,0,0|3,1,0]=4 32 B7R1.2 CC1=NNC(O)=C1 OR301087 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.2 CC1=NOC(N)=C1 OR7410 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.2 CC1=NSC(Cl)=N1 OR52111 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.2 CC1=NSC(I)=C1 OR346311 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.2 CC1=NSC(N)=C1 OR322370 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.2 CC1=NSC(N)=N1 OR14846 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.2 CN1C=C(Br)C=N1 OR6411 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.2 CN1C=C(Br)N=N1 OR301020 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.2 CN1C=C(I)C=N1 OR6685 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.2 CN1C=C(N)C=N1 OR110642 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.2 CN1C=C(N)C=N1 OR43645 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.2 CN1C=C(O)C=N1 OR301025 [0,0,0,0,0,0|2,0,2]=4 44 B7R1.2 CN1C=C(O)C=N1 OR70085 [0,0,0,0,0,0|2,0,2]=4 45 B7R1.2 CN1C=C([O-])[O+]=N1 OR303325 [0,0,0,0,0,0|3,0,1]=4 46 B7R1.2 CN1C=NC(Br)=C1 OR1221 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.2 CN1C=NC(I)=C1 OR10511 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.2 CN1C=NC(I)=C1 OR15576 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,0,0,0,0,0|3,0,1]=4 50 B7R1.2 ClC1=CSC(Cl)=C1 OR52329 [0,0,0,0,0,0|2,1,1]=4 51 B7R1.2 NC1=NC(=O)CS1 OR27571 [0,0,0,0,0,0|2,1,0]=3 52 B7R1.2 NC1=NC(=O)CS1 OR27978 [0,0,0,0,0,0|2,1,0]=3 53 B7R1.2 NC1=NNC(O)=C1 OR30956 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.2 O=C1C=CC(=O)N1 OR5487 [0,0,0,0,0,0|3,0,1]=4 55 B7R1.2 O=C1C=CC(=O)O1 OR61510 [0,0,0,0,0,0|3,0,1]=4 56 B7R1.2 O=C1CCC(=O)C1 OR24952 [0,0,0,0,0,0|2,0,1]=3 57 B7R1.2 O=C1CCC(=O)O1 OR42120 [0,0,0,0,0,0|3,0,0]=3 58 B7R1.2 O=C1COC(=O)C1 OR15973 [0,0,0,0,0,0|1,0,1]=2 59 B7R1.2 O=C1COC(=O)C1 OR28721 [0,0,0,0,0,0|1,0,1]=2 60 B7R1.2 O=C1CSC(=O)N1 OR5630 [0,0,0,0,0,0|2,1,0]=3 61 B7R1.2 O=C1CSC(=S)N1 OR22181 [0,0,0,0,0,0|2,1,0]=3 62 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,0,0,0,0,0|1,0,3]=4 63 B7R1.2 O=C1OCC(Cl)O1 OR16071 [0,0,0,0,0,0|3,0,1]=4 64 B7R1.2 OC1=NSC(Cl)=C1 OR321363 [0,0,0,0,0,0|2,1,1]=4 65 B6R1.2 BrC1=CC=CO1 OR23025 [1,0,0,0,0,0|1,0,1]=3 66 B6R1.2 BrC1=CC=CS1 OR6569 [1,0,0,0,0,0|1,1,1]=4 67 B6R1.2 BrC1=CCCC1 OR59361 [1,0,0,0,0,0|2,0,1]=4 68 B6R1.2 BrC1=CN=CO1 OR311178 [1,0,0,0,0,0|2,0,1]=4 69 B6R1.2 BrC1=CN=CO1 OR53068 [1,0,0,0,0,0|2,0,1]=4 70 B6R1.2 BrC1=COC=C1 OR23030 [1,0,0,0,0,0|1,0,1]=3 71 B6R1.2 BrC1=CON=C1 OR7800 [1,0,0,0,0,0|2,0,1]=4 72 B6R1.2 BrC1=CSC=C1 OR6570 [1,0,0,0,0,0|1,1,1]=4 73 B6R1.2 BrC1=NNC=C1 OR301082 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 BrC1=NOC=C1 OR46500 [1,0,0,0,0,0|2,0,0]=3 75 B6R1.2 BrC1=NSC=C1 OR40801 [1,0,0,0,0,0|2,1,0]=4 76 B6R1.2 CC1=CC=CN1 OR46081 [1,0,0,0,0,0|1,0,1]=3 77 B6R1.2 CC1=CC=CS1 OR28832 [1,0,0,0,0,0|0,1,1]=3 78 B6R1.2 CC1=CC=NO1 OR15750 [1,0,0,0,0,0|1,0,0]=2 79 B6R1.2 CC1=CN=CS1 OR322292 [1,0,0,0,0,0|1,1,1]=4 80 B6R1.2 CC1=CNC=C1 OR313041 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.2 CC1=CNC=N1 OR8780 [1,0,0,0,0,0|2,0,1]=4 82 B6R1.2 CC1=CNN=N1 OR46054 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 CC1=CSC=C1 OR10137 [1,0,0,0,0,0|2,0,0]=3 84 B6R1.2 CC1=CSN=N1 OR300907 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 CC1=NC=CN1 OR2900 [1,0,0,0,0,0|2,0,1]=4 86 B6R1.2 CC1=NCCO1 OR52090 [1,0,0,0,0,0|1,0,1]=3 87 B6R1.2 CC1=NNC=C1 OR301129 [1,0,0,0,0,0|2,0,0]=3 88 B6R1.2 CC1=NNC=N1 OR322862 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 CC1=NSC=C1 OR346143 [1,0,0,0,0,0|2,0,0]=3 90 B6R1.2 CC1CCCO1 OR42160 [1,0,0,0,0,0|0,0,3]=4 91 B6R1.2 CN1C=CC=C1 OR5110 [1,0,0,0,0,0|2,0,1]=4 92 B6R1.2 CN1C=CN=C1 OR10004 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 ClC1=CC=CS1 OR10138 [1,0,0,0,0,0|1,1,1]=4 94 B6R1.2 ClC1=CSC=C1 OR0302 [1,0,0,0,0,0|1,1,1]=4 95 B6R1.2 ClC1=NNC=C1 OR183405 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 IC1=CC=CS1 OR15030 [1,0,0,0,0,0|1,1,1]=4 97 B6R1.2 IC1=CSC=C1 OR2623 [1,0,0,0,0,0|1,1,1]=4 98 B6R1.2 NC1=CC=CS1 OR51953 [1,0,0,0,0,0|1,1,1]=4 99 B6R1.2 NC1=CC=CS1 OR51954 [1,0,0,0,0,0|1,1,1]=4 100 B6R1.2 NC1=CC=NN1 OR30957 [1,0,0,0,0,0|3,0,0]=4 101 B6R1.2 NC1=CC=NO1 OR300646 [1,0,0,0,0,0|2,0,0]=3 102 B6R1.2 NC1=NC=CO1 OR3721 [1,0,0,0,0,0|2,0,1]=4 103 B6R1.2 NC1=NNC=C1 OR61130 [1,0,0,0,0,0|3,0,0]=4 104 B6R1.2 NC1=NNC=C1 OR6125 [1,0,0,0,0,0|3,0,0]=4 105 B6R1.2 NC1=NOC=C1 OR5608 [1,0,0,0,0,0|2,0,0]=3 106 B6R1.2 O=C1C=CCC1 OR9084 [1,0,0,0,0,0|1,0,0]=2 107 B6R1.2 O=C1C=CCO1 OR2878 [1,0,0,0,0,0|1,0,0]=2 108 B6R1.2 O=C1C=CSN1 OR40800 [1,0,0,0,0,0|1,1,0]=3 109 B6R1.2 O=C1CC=CC1 OR313063 [1,0,0,0,0,0|1,0,1]=3 110 B6R1.2 O=C1CCCC1 OR10095 [1,0,0,0,0,0|1,0,2]=4 111 B6R1.2 O=C1CCNC1 OR301124 [1,0,0,0,0,0|1,0,2]=4 112 B6R1.2 O=C1CCNC1 OR61343 [1,0,0,0,0,0|1,0,2]=4 113 B6R1.2 O=C1CCOC1 OR30821 [1,0,0,0,0,0|0,0,2]=3 114 B6R1.2 O=C1CCSC1 OR5506 [1,0,0,0,0,0|0,1,2]=4 115 B6R1.2 O=C1N=CNN1 OR350126 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 O=C1NC=CN1 OR323247 [1,0,0,0,0,0|3,0,0]=4 117 B6R1.2 OC1=CC=NN1 OR300636 [1,0,0,0,0,0|2,0,1]=4 118 B6R1.2 OC1=NOC=C1 OR315208 [1,0,0,0,0,0|1,0,1]=3 119 B6R1.2 S=C1NCCO1 OR28382 [1,0,0,0,0,0|2,0,1]=4 120 B6R1.2 SC1=CC=CS1 OR3041 [1,0,0,0,0,0|1,1,1]=4 121 B8R1.1 BrCC1=COC(Br)=C1 OR400004 [0,1,0,0,0,0|2,0,1]=4 122 B8R1.1 CC1=CC(C#N)=NO1 OR12255 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.1 CC1=CC(C=O)=NO1 OR9680 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.1 CC1=CC(CBr)=NO1 OR23143 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.1 CC1=CC(CCl)=NO1 OR1308 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.1 CC1=CC(CN)=NO1 OR23144 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.1 CC1=CC(CO)=NO1 OR1302 [0,1,0,0,0,0|1,0,1]=3 128 B8R1.1 CC1=CC=C(C=O)O1 OR41166 [0,1,0,0,0,0|2,0,1]=4 129 B8R1.1 CC1=CC=C(C=O)S1 OR5055 [0,1,0,0,0,0|2,0,1]=4 130 B8R1.1 CC1=CN=C(C=O)S1 OR2494 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.1 CC1=CSC(C=O)=C1 OR12602 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.1 CC1=CSC(C=O)=N1 OR2495 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.1 CC1=CSC(CN)=C1 OR9699 [0,1,0,0,0,0|1,1,1]=4 134 B8R1.1 CC1=CSC(CO)=C1 OR12603 [0,1,0,0,0,0|1,1,1]=4 135 B8R1.1 CC1=NC(C=O)=CN1 OR28795 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.1 CC1=NC(C=O)=CO1 OR17528 [0,1,0,0,0,0|1,0,1]=3 137 B8R1.1 CC1=NC(C=O)=CS1 OR5201 [0,1,0,0,0,0|1,1,1]=4 138 B8R1.1 CC1=NC(CBr)=CO1 OR59859 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.1 CC1=NC(CCl)=NO1 OR300629 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.1 CC1=NC(CN)=CO1 OR59861 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.1 CC1=NC(CO)=CO1 OR59856 [0,1,0,0,0,0|1,0,2]=4 142 B8R1.1 CC1=NC=C(C=O)S1 OR15916 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.1 CC1=NOC(C=O)=C1 OR346321 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.1 CC1=NOC(CBr)=C1 OR15946 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.1 CC1=NOC(CN)=C1 OR16692 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.1 CC1=NOC(CO)=C1 OR15967 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.1 CN1C=C(C=O)C=N1 OR12622 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.1 CN1C=NC(C=O)=C1 OR4398 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.1 CSC1=NC(=O)CS1 OR311155 [0,1,0,0,0,0|1,1,0]=3 150 B8R1.1 ClCC1=CC(Br)=NO1 OR15587 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.1 NCC1=CC(Br)=CS1 OR322424 [0,1,0,0,0,0|1,1,1]=4 152 B8R1.1 NCC1=CC(Br)=CS1 OR962877 [0,1,0,0,0,0|1,1,1]=4 153 B8R1.1 NCC1CCC(=O)N1 OR953484 [0,1,0,0,0,0|2,0,1]=4 154 B8R1.1 O=C1CC[C@@H](CO)N1 OR350343 [0,1,0,0,0,0|2,0,1]=4 155 B8R1.1 O=C1CC[C@@H](CO)O1 OR42217 [0,1,0,0,0,0|2,0,1]=4 156 B8R1.1 O=C1CC[C@H](CO)N1 OR451180 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.1 O=CC1=CC(Br)=CN1 OR10388 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.1 O=CC1=CC(Br)=CO1 OR3267 [0,1,0,0,0,0|1,0,2]=4 159 B8R1.1 O=CC1=CC(Br)=CS1 OR10158 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.1 O=CC1=CSC(Br)=C1 OR70005 [0,1,0,0,0,0|1,1,1]=4 161 B8R1.1 OCC1=CC(Br)=NO1 OR15590 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.18 CC1=CC(=O)OC1=O OR5508 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.18 CC1=CC(Br)=C(I)S1 OR43640 [0,1,0,0,0,0|1,1,1]=4 164 B8R1.18 CC1=CC(C)=NN1C OR9220 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.18 CC1=CC(N)=NN1C OR46245 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.18 CC1=CC(N)=NN1C OR46246 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.18 CC1=NN(C)C(=O)C1 OR26105 [0,1,0,0,0,0|2,0,1]=4 168 B8R1.18 CC1=NN(C)C(Cl)=C1 OR23805 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.18 CC1=NN(C)C(N)=C1 OR7985 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.18 CN1CC(=O)NC1=O OR18274 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.18 O=C1C=C(Br)C(=O)N1 OR300516 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.18 O=C1C=C(Cl)C(=O)O1 OR30483 [0,1,0,0,0,0|2,0,1]=4 173 B8R1.50 CC1=C(C)C(=O)NC1 OR21805 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.50 CC1=C(C)C(Br)=NO1 OR15588 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.50 CC1=C(C)C(N)=NO1 OR19546 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.50 CC1=C(Cl)C(N)=NO1 OR300501 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.50 CC1=C(I)C(N)=NO1 OR103675 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.50 CC1=NNC(=O)C1C OR26970 [0,1,0,0,0,0|2,0,1]=4 179 B8R1.50 CC1=NNC(C)=C1Br OR23001 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.50 CC1=NNC(C)=C1I OR23002 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.50 CC1=NNC(N)=C1Br OR25077 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.50 CC1=NOC(C)=C1Br OR22990 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.50 CC1=NOC(C)=C1I OR7771 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.50 CC1=NOC(C)=C1N OR22972 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.50 CC1=NOC(N)=C1Cl OR15076 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.50 CC1C(=O)CCC1=O OR0612 [0,1,0,0,0,0|2,0,1]=4 187 B8R1.50 CC1CCC(=O)C1=O OR28640 [0,1,0,0,0,0|1,0,1]=3 188 B8R1.50 O=C1CCC(=O)N1Br OR7970 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.50 O=C1CCC(=O)N1Cl OR0856 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.50 O=C1CCC(=O)N1I OR28900 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.50 O=C1CCC(=O)N1O OR28434 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.51 CC1(C)CCC(=O)O1 OR313007 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.1 CCNC(=O)CBr OR40485 [0,0,1,0,0,0|2,0,1]=4 194 B6R0.1 CCOC(=O)CN OR43634 [0,0,1,0,0,0|2,0,1]=4 195 B6R0.1 CCOC(=O)CS OR17516 [0,0,1,0,0,0|1,1,1]=4 196 B6R0.1 CCOC(=O)NO OR9111 [0,0,1,0,0,0|2,0,1]=4 197 B6R0.2 CC(=O)C=C(C)N OR1506 [0,0,1,0,0,0|1,0,0]=2 198 B6R0.2 CC(=O)CC(C)=O OR16430 [0,0,1,0,0,0|0,0,2]=3 199 B6R0.2 CC(=O)CC(C)C OR61047 [0,0,1,0,0,0|1,0,2]=4 200 B6R0.2 CC(=O)NC(=N)N OR24582 [0,0,1,0,0,0|3,0,0]=4 201 B6R0.2 CC(=O)NC(N)=S OR18382 [0,0,1,0,0,0|2,1,0]=4 202 B6R0.2 CC(=O)\C=C(\C)[O-] OR15745 [0,0,1,0,0,0|0,0,1]=2 203 B6R0.2 CC(C)=CC(=O)Cl OR29360 [0,0,1,0,0,0|2,0,0]=3 204 B6R0.2 CC(C)=CC(=O)O OR46069 [0,0,1,0,0,0|2,0,0]=3 205 B6R0.2 CC(C)=C[N+](=O)[O-] OR310840 [0,0,1,0,0,0|3,0,0]=4 206 B6R0.2 O=C(O)CC(=O)O OR0786 [0,0,1,0,0,0|2,0,1]=4 207 B6R0.4 CCCCC(C)=O OR10020 [0,0,1,0,0,0|1,0,2]=4 208 B6R0.4 CCCOC(C)=O OR5312 [0,0,1,0,0,0|2,0,1]=4 209 B6R0.4 CCOCC(=O)O OR6531 [0,0,1,0,0,0|1,0,1]=3 210 B6R0.4 CNCCC(=O)O OR301194 [0,0,1,0,0,0|3,0,0]=4 211 B6R0.4 CNCCC(N)=O OR17506 [0,0,1,0,0,0|3,0,0]=4 212 B8R2.38 O=C1CCC2CC12 OR70212 [0,0,0,1,0,0|1,0,2]=4 213 B6R1.5 NC1CC(=O)C1 OR308095 [0,0,0,0,1,0|1,0,2]=4 214 B8R1.3 CC1=CC=C(Br)C=C1 OR1485 [0,0,0,0,0,1|2,0,1]=4 215 B8R1.3 CC1=CC=C(Cl)C=C1 OR3751 [0,0,0,0,0,1|2,0,1]=4 216 B8R1.3 CC1=CC=C(Cl)N=N1 OR21484 [0,0,0,0,0,1|3,0,0]=4 217 B8R1.3 CC1=CC=C(I)C=C1 OR8875 [0,0,0,0,0,1|2,0,1]=4 218 B8R1.3 CC1=CC=C(I)N=N1 OR20044 [0,0,0,0,0,1|3,0,0]=4 219 B8R1.3 CC1=CC=C(N)N=N1 OR30962 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.3 CC1=CC=C(O)C=C1 OR6012 [0,0,0,0,0,1|1,0,2]=4 221 B8R1.3 CC1=CC=C(O)C=N1 OR13853 [0,0,0,0,0,1|1,0,2]=4 222 B8R1.3 CC1=CC=C(O)N=C1 OR40330 [0,0,0,0,0,1|1,0,2]=4 223 B8R1.3 CC1=CC=C(O)N=N1 OR5828 [0,0,0,0,0,1|2,0,1]=4 224 B8R1.3 CC1=CC=C(S)C=C1 OR43548 [0,0,0,0,0,1|1,1,1]=4 225 B8R1.3 CC1=CN=C(Br)C=C1 OR0845 [0,0,0,0,0,1|2,0,1]=4 226 B8R1.3 CC1=CN=C(C)C=C1 OR13598 [0,0,0,0,0,1|2,0,1]=4 227 B8R1.3 CC1=CN=C(C)C=N1 OR6021 [0,0,0,0,0,1|2,0,1]=4 228 B8R1.3 CC1=CN=C(Cl)C=C1 OR13605 [0,0,0,0,0,1|2,0,1]=4 229 B8R1.3 CC1=CN=C(Cl)C=N1 OR40049 [0,0,0,0,0,1|2,0,1]=4 230 B8R1.3 CC1=CN=C(Cl)N=C1 OR46244 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.3 CC1=CN=C(N)C=C1 OR28779 [0,0,0,0,0,1|2,0,1]=4 232 B8R1.3 CC1=CN=C(N)C=N1 OR16560 [0,0,0,0,0,1|2,0,1]=4 233 B8R1.3 CC1=CN=C(O)C=N1 OR40054 [0,0,0,0,0,1|1,0,2]=4 234 B8R1.3 CC1=NC=C(Br)C=C1 OR6948 [0,0,0,0,0,1|2,0,1]=4 235 B8R1.3 CC1=NC=C(Br)C=N1 OR59447 [0,0,0,0,0,1|2,0,1]=4 236 B8R1.3 CC1=NC=C(N)C=C1 OR5274 [0,0,0,0,0,1|2,0,1]=4 237 B8R1.3 CC1=NNC(=O)C=C1 OR21483 [0,0,0,0,0,1|2,0,0]=3 238 B8R1.3 CC1=NNC(=O)C=C1 OR52459 [0,0,0,0,0,1|2,0,0]=3 239 B8R1.3 CC1=NNC(=O)CC1 OR21385 [0,0,0,0,0,1|2,0,0]=3 240 B8R1.3 CC1CCC(=O)CC1 OR5041 [0,0,0,0,0,1|1,0,2]=4 241 B8R1.3 CN1CCC(=O)CC1 OR0648 [0,0,0,0,0,1|2,0,1]=4 242 B8R1.3 NC1=NNC(=O)C=C1 OR43623 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.3 O=C1C=CC(=O)NN1 OR4916 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.3 O=C1CCC(=O)CC1 OR5044 [0,0,0,0,0,1|2,0,1]=4 245 B8R1.3 O=C1CCC(=O)NC1 OR305436 [0,0,0,0,0,1|2,0,1]=4 246 B8R1.3 O=C1CNC(=O)CN1 OR30359 [0,0,0,0,0,1|2,0,1]=4 247 B8R1.3 O=C1COC(=O)CO1 OR28857 [0,0,0,0,0,1|1,0,1]=3 248 B8R1.3 O=C1N=CC(Br)=CN1 OR8599 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.4 CC1=CC(=O)NN=C1 OR2216 [0,0,0,0,0,1|2,0,0]=3 250 B8R1.4 CC1=CC(Br)=CC=C1 OR4938 [0,0,0,0,0,1|2,0,1]=4 251 B8R1.4 CC1=CC(Br)=NC=C1 OR6454 [0,0,0,0,0,1|2,0,1]=4 252 B8R1.4 CC1=CC(C)=NC=C1 OR13597 [0,0,0,0,0,1|2,0,1]=4 253 B8R1.4 CC1=CC(Cl)=CN=C1 OR315112 [0,0,0,0,0,1|2,0,1]=4 254 B8R1.4 CC1=CC(Cl)=NC=C1 OR13604 [0,0,0,0,0,1|2,0,1]=4 255 B8R1.4 CC1=CC(Cl)=NC=N1 OR60081 [0,0,0,0,0,1|2,0,1]=4 256 B8R1.4 CC1=CC(I)=CC=C1 OR15022 [0,0,0,0,0,1|2,0,1]=4 257 B8R1.4 CC1=CC(I)=CC=C1 OR4134 [0,0,0,0,0,1|2,0,1]=4 258 B8R1.4 CC1=CC(N)=NC=C1 OR28757 [0,0,0,0,0,1|2,0,1]=4 259 B8R1.4 CC1=CC(O)=NC=N1 OR301252 [0,0,0,0,0,1|1,0,2]=4 260 B8R1.4 CC1=CC=CC(N)=C1 OR5362 [0,0,0,0,0,1|2,0,1]=4 261 B8R1.4 CC1=CC=CC(S)=C1 OR5559 [0,0,0,0,0,1|1,1,1]=4 262 B8R1.4 CC1=CN=CC(Br)=C1 OR3203 [0,0,0,0,0,1|2,0,1]=4 263 B8R1.4 CC1=CN=CC(C)=C1 OR5347 [0,0,0,0,0,1|2,0,1]=4 264 B8R1.4 CC1=CN=CC(N)=C1 OR59324 [0,0,0,0,0,1|2,0,1]=4 265 B8R1.4 CC1=CN=CC(N)=C1 OR7004 [0,0,0,0,0,1|2,0,1]=4 266 B8R1.4 CC1=CN=CC(O)=C1 OR40438 [0,0,0,0,0,1|1,0,2]=4 267 B8R1.4 CC1=CN=NC(Cl)=C1 OR2988 [0,0,0,0,0,1|3,0,0]=4 268 B8R1.4 CC1=CN=NC(N)=C1 OR61037 [0,0,0,0,0,1|3,0,0]=4 269 B8R1.4 CC1=NC=CC(Br)=C1 OR9191 [0,0,0,0,0,1|2,0,1]=4 270 B8R1.4 CC1=NC=CC(Cl)=C1 OR2849 [0,0,0,0,0,1|2,0,1]=4 271 B8R1.4 CC1=NC=CC(N)=C1 OR6421 [0,0,0,0,0,1|2,0,1]=4 272 B8R1.4 CC1CC(=O)CCO1 OR54543 [0,0,0,0,0,1|0,0,2]=3 273 B8R1.4 CN1CCCC(=O)C1 OR55488 [0,0,0,0,0,1|2,0,1]=4 274 B8R1.4 CN1CCCC(=O)C1 OR55582 [0,0,0,0,0,1|2,0,1]=4 275 B8R1.4 NC1=CC(=O)CCC1 OR4645 [0,0,0,0,0,1|2,0,0]=3 276 B8R1.4 O=C1C=C(Cl)C=NN1 OR52286 [0,0,0,0,0,1|3,0,0]=4 277 B8R1.4 O=C1CCCC(=O)C1 OR28703 [0,0,0,0,0,1|2,0,1]=4 278 B8R1.4 O=C1CCNC(=O)C1 OR48245 [0,0,0,0,0,1|2,0,1]=4 279 B8R1.4 O=C1COCC(=O)N1 OR70072 [0,0,0,0,0,1|2,0,0]=3 280 B8R1.4 O=C1COCC(=O)O1 OR45104 [0,0,0,0,0,1|2,0,0]=3 281 B8R1.4 O=C1CSCC(=O)O1 OR28488 [0,0,0,0,0,1|2,1,0]=4 282 B5R0.1 C=CNC(C)=O OR938950 [1,0,1,0,0,0|1,0,1]=4 283 B5R0.1 C=COC(=O)Cl OR3129 [1,0,1,0,0,0|1,0,1]=4 284 B5R0.1 CC#CC(=O)O OR315221 [1,0,1,0,0,0|0,0,2]=4 285 B5R0.1 CC(=O)NCO OR61255 [1,0,1,0,0,0|1,0,1]=4 286 B5R0.1 CC(C)=CCBr OR46013 [1,0,1,0,0,0|1,0,1]=4 287 B5R0.1 CC(C)=CCCl OR22167 [1,0,1,0,0,0|1,0,1]=4 288 B5R0.1 CC(C)=C[Mg]Br OR320001 [1,0,1,0,0,0|2,0,0]=4 289 B5R0.1 CC(C)=C[Mg]Cl OR320002 [1,0,1,0,0,0|2,0,0]=4 290 B5R0.1 CCCC(=O)O OR6005 [1,0,1,0,0,0|0,0,2]=4 291 B5R0.1 CCCC(=O)[O-] OR8783 [1,0,1,0,0,0|1,0,1]=4 292 B5R0.1 COCC(=O)Cl OR40393 [1,0,1,0,0,0|1,0,0]=3 293 B5R0.1 CSCC(=O)O OR4573 [1,0,1,0,0,0|1,0,1]=4 294 B5R0.1 O=C(O)\C=C\Cl OR2048 [1,0,1,0,0,0|1,0,0]=3 295 B5R0.2 C=CCNC=O OR28268 [1,0,1,0,0,0|2,0,0]=4 296 B5R0.2 C=CCOCCl OR53036 [1,0,1,0,0,0|1,0,1]=4 297 B5R0.2 C=COCCO OR904259 [1,0,1,0,0,0|0,0,2]=4 298 B5R0.2 CCCCC=O OR5422 [1,0,1,0,0,0|1,0,1]=4 299 B5R0.3 C=CC(=O)CC OR70148 [1,0,1,0,0,0|1,0,0]=3 300 B5R0.3 C=CC(=O)OC OR322452 [1,0,1,0,0,0|1,0,0]=3 301 B5R0.3 CC(C=O)=CN OR2402 [1,0,1,0,0,0|2,0,0]=4 302 B5R0.3 CCC(=O)CBr OR1465 [1,0,1,0,0,0|1,0,1]=4 303 B5R0.3 COC(=O)CN OR52169 [1,0,1,0,0,0|2,0,0]=4 304 B5R0.3 COC(=O)CO OR21875 [1,0,1,0,0,0|1,0,0]=3 305 B5R0.3 COC(=O)CS OR62074 [1,0,1,0,0,0|1,1,0]=4 306 B5R1.1 C1=CCCC1 OR10096 [2,0,0,0,0,0|1,0,1]=4 307 B5R1.1 C1=CCNC1 OR2396 [2,0,0,0,0,0|1,0,1]=4 308 B5R1.1 C1=CCOC1 OR5462 [2,0,0,0,0,0|0,0,1]=3 309 B5R1.1 C1=CNC=C1 OR28598 [2,0,0,0,0,0|1,0,1]=4 310 B5R1.1 C1=CNN=C1 OR4931 [2,0,0,0,0,0|2,0,0]=4 311 B5R1.1 C1=COC=N1 OR14992 [2,0,0,0,0,0|1,0,1]=4 312 B5R1.1 C1=COCC1 OR2896 [2,0,0,0,0,0|0,0,1]=3 313 B5R1.1 C1=CON=C1 OR2580 [2,0,0,0,0,0|1,0,0]=3 314 B5R1.1 C1=CSC=C1 OR9435 [2,0,0,0,0,0|0,1,1]=4 315 B5R1.1 C1=NCCO1 OR305316 [2,0,0,0,0,0|1,0,1]=4 316 B7R0.2 COC(=O)C=C(C)C OR7136 [0,1,1,0,0,0|2,0,0]=4 317 B7R0.2 COC(=O)CC(=O)Cl OR8845 [0,1,1,0,0,0|1,0,1]=4 318 B7R0.2 COC(=O)CC(=O)O OR54514 [0,1,1,0,0,0|1,0,1]=4 319 B7R0.2 COC(=O)CC(=O)[O-] OR25586 [0,1,1,0,0,0|1,0,1]=4 320 B7R0.2 COC(=O)CC(C)=O OR54474 [0,1,1,0,0,0|1,0,1]=4 321 B7R0.2 COC(=O)\C=C(\C)N OR11326 [0,1,1,0,0,0|2,0,0]=4 322 B7R0.3 CCC=CC(=O)OC OR40582 [0,1,1,0,0,0|2,0,0]=4 323 B7R0.3 CC\C=C\C(=O)OC OR6667 [0,1,1,0,0,0|2,0,0]=4 324 B7R0.3 COC(=O)C=CCBr OR10966 [0,1,1,0,0,0|2,0,0]=4 325 B7R0.3 COC(=O)CCC=O OR313049 [0,1,1,0,0,0|1,0,1]=4 326 B7R0.5 CCOC(=O)[C@H](C)O OR5301 [0,1,1,0,0,0|1,0,1]=4 327 B7R0.7 CCOC(=O)COC OR30271 [0,1,1,0,0,0|1,0,1]=4 328 B7R0.7 CCOC(=O)\C=C/Br OR27617 [0,1,1,0,0,0|2,0,0]=4 329 B7R0.10 COC(=O)C(=O)CBr OR8931 [0,1,1,0,0,0|2,0,0]=4 330 B7R0.10 COC(=O)C(Cl)C=O OR300674 [0,1,1,0,0,0|1,0,1]=4 331 B7R0.16 CC(=O)C(Cl)C(C)=O OR47825 [0,1,1,0,0,0|0,0,2]=4 332 B7R0.4 C\C=C\CCC(=O)O OR60122 [0,1,1,0,0,0|2,0,0]=4 333 B7R0.4 O=C(O)COCCCl OR301184 [0,1,1,0,0,0|1,0,1]=4 334 B7R0.6 CC(=O)CCC(C)=O OR8860 [0,1,1,0,0,0|1,0,1]=4 335 B7R0.6 CC(=O)OCC(=O)Cl OR1899 [0,1,1,0,0,0|1,0,0]=3 336 B7R0.6 CC(C)OCC(=O)O OR46564 [0,1,1,0,0,0|0,0,2]=4 337 B7R1.1 BrCC1=CN=CO1 OR59852 [1,1,0,0,0,0|1,0,1]=4 338 B7R1.1 BrCC1=COC=C1 OR400006 [1,1,0,0,0,0|1,0,1]=4 339 B7R1.1 BrCC1=CSC=C1 OR43653 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.1 C=CC1=CC=CO1 OR400374 [1,1,0,0,0,0|0,0,2]=4 341 B7R1.1 C=CC1=COC=C1 OR400372 [1,1,0,0,0,0|1,0,1]=4 342 B7R1.1 CCC1=CC=CN1 OR42007 [1,1,0,0,0,0|1,0,1]=4 343 B7R1.1 CCC1=CC=CO1 OR6028 [1,1,0,0,0,0|0,0,1]=3 344 B7R1.1 CCC1=CC=CS1 OR7250 [1,1,0,0,0,0|0,1,1]=4 345 B7R1.1 COC1=CSC=C1 OR6628 [1,1,0,0,0,0|2,0,0]=4 346 B7R1.1 CSC1=CC=CS1 OR4091 [1,1,0,0,0,0|0,1,1]=4 347 B7R1.1 CSC1=CSC=C1 OR25457 [1,1,0,0,0,0|2,0,0]=4 348 B7R1.1 ClCC1=CC=CO1 OR310257 [1,1,0,0,0,0|0,0,1]=3 349 B7R1.1 ClCC1=CC=CS1 OR305427 [1,1,0,0,0,0|0,1,1]=4 350 B7R1.1 ClCC1=CSC=C1 OR6634 [1,1,0,0,0,0|2,0,0]=4 351 B7R1.1 ClCC1=NC=CO1 OR301217 [1,1,0,0,0,0|1,0,1]=4 352 B7R1.1 N#CC1=CC=CO1 OR30131 [1,1,0,0,0,0|0,0,2]=4 353 B7R1.1 N#CC1=COC=C1 OR40038 [1,1,0,0,0,0|1,0,1]=4 354 B7R1.1 NCC1=CC=CO1 OR23026 [1,1,0,0,0,0|0,0,1]=3 355 B7R1.1 NCC1=CC=CS1 OR6799 [1,1,0,0,0,0|0,1,1]=4 356 B7R1.1 NCC1=CN=CO1 OR59854 [1,1,0,0,0,0|1,0,1]=4 357 B7R1.1 NCC1=COC=C1 OR12311 [1,1,0,0,0,0|1,0,1]=4 358 B7R1.1 NCC1=COC=C1 OR23031 [1,1,0,0,0,0|1,0,1]=4 359 B7R1.1 NCC1=CSC=C1 OR23203 [1,1,0,0,0,0|2,0,0]=4 360 B7R1.1 NCC1=NC=CO1 OR313058 [1,1,0,0,0,0|1,0,1]=4 361 B7R1.1 O=CC1=CC=CN1 OR23112 [1,1,0,0,0,0|2,0,0]=4 362 B7R1.1 O=CC1=CC=CO1 OR23023 [1,1,0,0,0,0|0,0,2]=4 363 B7R1.1 O=CC1=CC=CS1 OR5053 [1,1,0,0,0,0|2,0,0]=4 364 B7R1.1 O=CC1=CC=NN1 OR301050 [1,1,0,0,0,0|2,0,0]=4 365 B7R1.1 O=CC1=CC=NO1 OR1858 [1,1,0,0,0,0|1,0,1]=4 366 B7R1.1 O=CC1=CC=NS1 OR18559 [1,1,0,0,0,0|2,0,0]=4 367 B7R1.1 O=CC1=CNC=C1 OR6181 [1,1,0,0,0,0|1,0,1]=4 368 B7R1.1 O=CC1=COC=C1 OR23028 [1,1,0,0,0,0|0,0,1]=3 369 B7R1.1 O=CC1=COC=N1 OR12860 [1,1,0,0,0,0|1,0,1]=4 370 B7R1.1 O=CC1=CSC=C1 OR5054 [1,1,0,0,0,0|0,1,1]=4 371 B7R1.1 O=CC1=NNC=C1 OR46247 [1,1,0,0,0,0|2,0,0]=4 372 B7R1.1 OCC1=CC=CO1 OR23024 [1,1,0,0,0,0|0,0,1]=3 373 B7R1.1 OCC1=CC=CS1 OR59889 [1,1,0,0,0,0|0,1,1]=4 374 B7R1.1 OCC1=CC=NS1 OR18560 [1,1,0,0,0,0|1,1,0]=4 375 B7R1.1 OCC1=CN=CO1 OR3790 [1,1,0,0,0,0|1,0,1]=4 376 B7R1.1 OCC1=COC=C1 OR23029 [1,1,0,0,0,0|0,0,2]=4 377 B7R1.1 OCC1=CSC=C1 OR10141 [1,1,0,0,0,0|2,0,0]=4 378 B7R1.1 OCC1=NC=CO1 OR59845 [1,1,0,0,0,0|1,0,1]=4 379 B7R1.1 OCC1=NNC=C1 OR52395 [1,1,0,0,0,0|2,0,0]=4 380 B7R1.1 OCC1=NOC=C1 OR305308 [1,1,0,0,0,0|1,0,1]=4 381 B7R1.1 SCC1=CC=CS1 OR51965 [1,1,0,0,0,0|0,1,1]=4 382 B7R1.4 CC1=C(Br)C=CO1 OR12443 [1,1,0,0,0,0|0,0,1]=3 383 B7R1.4 CC1=C(Br)C=CS1 OR13721 [1,1,0,0,0,0|0,1,1]=4 384 B7R1.4 CC1=C(Br)SC=C1 OR8041 [1,1,0,0,0,0|2,0,0]=4 385 B7R1.4 CC1=C(C)SC=C1 OR7265 [1,1,0,0,0,0|0,1,1]=4 386 B7R1.4 CC1=C(Cl)SC=C1 OR10152 [1,1,0,0,0,0|2,0,0]=4 387 B7R1.4 CC1=C(I)C=NO1 OR14344 [1,1,0,0,0,0|1,0,0]=3 388 B7R1.4 CC1=CC=NN1C OR2504 [1,1,0,0,0,0|2,0,0]=4 389 B7R1.4 CC1=CNN=C1C OR52685 [1,1,0,0,0,0|2,0,0]=4 390 B7R1.4 CC1=COC=C1Br OR52232 [1,1,0,0,0,0|1,0,1]=4 391 B7R1.4 CC1=CSC=C1Br OR9461 [1,1,0,0,0,0|2,0,0]=4 392 B7R1.4 CC1=NNC=C1Br OR350075 [1,1,0,0,0,0|2,0,0]=4 393 B7R1.4 CC1=NNC=C1I OR14994 [1,1,0,0,0,0|2,0,0]=4 394 B7R1.4 CC1=NSC=C1N OR346368 [1,1,0,0,0,0|2,0,0]=4 395 B7R1.4 CC1OCCC1=O OR28730 [1,1,0,0,0,0|0,0,2]=4 396 B7R1.4 O=C1CCC=C1Br OR19566 [1,1,0,0,0,0|1,0,0]=3 397 B7R1.10 O=C1CC(CBr)C1 OR317135 [0,1,0,0,1,0|0,0,2]=4 398 B7R1.10 O=C1CC(CO)C1 OR308103 [0,1,0,0,1,0|0,0,2]=4 399 B7R1.10 O=C1CC(CO)N1 OR51994 [0,1,0,0,1,0|1,0,1]=4 400 B9R1.1 CC1=CC=C(C=O)C=C1 OR61250 [0,1,0,0,0,1|1,0,1]=4 401 B9R1.1 CC1=CC=C(C=O)C=N1 OR46109 [0,1,0,0,0,1|1,0,1]=4 402 B9R1.1 CC1=CN=C(C=O)C=N1 OR40083 [0,1,0,0,0,1|1,0,1]=4 403 B9R1.10 CC1(C)C=CC(=O)CC1 OR59378 [0,1,0,0,0,1|1,0,1]=4 404 B9R1.69 CC1=NNC(=O)C(Br)=C1 OR53091 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.69 CC1=NNC(=O)C(N)=C1 OR43619 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.2 CC1=CC(C=O)=NC=C1 OR6171 [0,1,0,0,0,1|1,0,1]=4 407 B9R1.2 CC1=CC=CC(C=O)=C1 OR61503 [0,1,0,0,0,1|1,0,1]=4 408 B9R1.2 CC1=NC=CC(C=O)=C1 OR310148 [0,1,0,0,0,1|1,0,1]=4 409 B9R1.3 CC1OC=CC(=O)C1=O OR28677 [0,1,0,0,0,1|0,0,2]=4 410 B9R1.34 CC1=CC(=O)C=C(C)O1 OR27582 [0,1,0,0,0,1|0,0,1]=3 411 B9R1.34 CC1=CC(=O)CC(=O)O1 OR5357 [0,1,0,0,0,1|0,0,0]=2 412 B9R1.34 CC1=CC(=O)NC(=O)N1 OR26591 [0,1,0,0,0,1|1,0,1]=4 413 B9R1.34 CC1=CC(=O)NC(=S)N1 OR27585 [0,1,0,0,0,1|1,0,1]=4 414 B9R1.34 CC1CC(=O)CC(C)O1 OR9085 [0,1,0,0,0,1|0,0,2]=4 415 B9R1.66 CC1(C)CC(=O)CCO1 OR480217 [0,1,0,0,0,1|0,0,2]=4 416 B9R1.7 N#CCC1=NC(=O)CS1 OR2603 [0,2,0,0,0,0|1,1,0]=4 417 B9R1.7 OCCC1=CC(Br)=NO1 OR15589 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.22 CC1=CC(C=O)=C(C)S1 OR6179 [0,2,0,0,0,0|0,1,1]=4 419 B9R1.22 CC1=CC(CN)=C(C)O1 OR22999 [0,2,0,0,0,0|1,0,1]=4 420 B9R1.22 CC1=NC(C=O)=C(C)O1 OR3802 [0,2,0,0,0,0|1,0,1]=4 421 B9R1.22 CC1=NN(C)C(C=O)=C1 OR23187 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.23 CC1=C(Br)SC(C=O)=C1 OR7818 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.23 CC1=C(C)OC(C=O)=C1 OR21730 [0,2,0,0,0,0|2,0,0]=4 424 B9R1.23 CC1=C(C)SC(C=O)=C1 OR63020 [0,2,0,0,0,0|2,0,0]=4 425 B9R1.23 CC1=CC(C=O)=NN1C OR2825 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.35 CC1=CC(C(=O)Cl)=NO1 OR1304 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.35 CC1=CC(C(=O)O)=CS1 OR5951 [0,2,0,0,0,0|0,1,1]=4 428 B9R1.35 CC1=CC(C(=O)O)=NN1 OR0650 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.35 CC1=CC(C(=O)O)=NO1 OR23141 [0,2,0,0,0,0|1,0,0]=3 430 B9R1.35 CC1=CC(C(N)=O)=NO1 OR103676 [0,2,0,0,0,0|1,0,0]=3 431 B9R1.35 CC1=CC(C(N)=S)=NO1 OR29729 [0,2,0,0,0,0|1,1,0]=4 432 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 OR14841 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.35 CC1=CSC(C(=O)Cl)=C1 OR14492 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.35 CC1=CSC(C(=O)O)=C1 OR11275 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.35 CC1=CSC(C(N)=O)=C1 OR9716 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.35 CC1=NC(C(=O)Cl)=CO1 OR200129 [0,2,0,0,0,0|1,0,1]=4 437 B9R1.35 CC1=NC(C(=O)O)=CO1 OR17529 [0,2,0,0,0,0|1,0,1]=4 438 B9R1.35 CC1=NNC(C(N)=O)=C1 OR318021 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.35 CC1=NOC(C(=O)Cl)=C1 OR14877 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.35 CC1=NOC(C(=O)O)=C1 OR12419 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.35 CC1=NSC(C(=O)O)=C1 OR346142 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.35 O=C(O)C1=COC(Br)=C1 OR3279 [0,2,0,0,0,0|1,0,1]=4 443 B9R1.37 CC1=C(C)C(=O)OC1=O OR21481 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.37 CC1C(=O)CC(=O)C1=O OR26430 [0,2,0,0,0,0|1,0,1]=4 445 B9R1.27 CC1=NOC(C)=C1C#N OR22975 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.27 CC1=NOC(C)=C1C=O OR22987 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.27 CC1=NOC(C)=C1CCl OR0256 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.27 CC1=NOC(C)=C1CN OR40198 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.27 CC1=NOC(C)=C1CO OR22989 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.27 CCC1=C(C)CNC1=O OR11055 [0,2,0,0,0,0|2,0,0]=4 451 B7R1.3 O=C1C=CCCC1 OR18379 [0,0,1,1,0,0|1,0,0]=3 452 B7R1.3 O=C1C=CCCO1 OR70226 [0,0,1,1,0,0|2,0,0]=4 453 B7R1.3 O=C1CCCOC1 OR301349 [0,0,1,1,0,0|0,0,2]=4 454 B7R1.3 O=C1COCCN1 OR301177 [0,0,1,1,0,0|1,0,1]=4 455 B5R0.5 C=C(C)C(=O)O OR54367 [0,0,1,0,1,0|2,0,0]=4 456 B5R0.5 CC(=O)C(=O)O OR315034 [0,0,1,0,1,0|1,0,0]=3 457 B5R0.5 CC(=O)C(C)=O OR5248 [0,0,1,0,1,0|0,0,1]=3 458 B5R0.5 CC(=O)C(C)Br OR1466 [0,0,1,0,1,0|1,0,1]=4 459 B5R0.5 CC(=O)C(C)C OR5350 [0,0,1,0,1,0|1,0,1]=4 460 B5R0.5 CC(C)=C(C)C OR18350 [0,0,1,0,1,0|2,0,0]=4 461 B5R0.5 C[C@@H](O)C(=O)O OR960721 [0,0,1,0,1,0|1,0,1]=4 462 B5R0.5 C[C@@H](O)C(N)=O OR18079 [0,0,1,0,1,0|1,0,1]=4 463 B5R0.5 NC(=O)C(=O)O OR54598 [0,0,1,0,1,0|2,0,0]=4 464 B5R1.2 O=C1CCC1 OR30488 [1,0,0,0,1,0|0,0,2]=4 465 B5R1.2 O=C1CCN1 OR24812 [1,0,0,0,1,0|1,0,1]=4 466 B5R1.2 O=C1CNC1 OR308018 [1,0,0,0,1,0|1,0,1]=4 467 B5R1.2 O=C1COC1 OR301011 [1,0,0,0,1,0|0,0,1]=3