0 B5R0.3 C#CC(=O)OC OR0649 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=CC(=O)CC OR70148 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C=CC(=O)OC OR322452 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 CC(C=O)=CN OR2402 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.3 CCC(=O)CBr OR1465 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 CCC(C)CN OR28802 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.3 CCC(C)NN OR318093 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 CCC(C)OC OR14508 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 CNC(=N)NN OR26561 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 CN[C@@H](C)CO OR55461 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.3 CN[C@H](C)CO OR55460 [0,0,0,0,0,0|1,0,3]=4 11 B5R0.3 COC(=O)CN OR52169 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 COC(=O)CO OR21875 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 COC(=O)CS OR62074 [0,0,0,0,0,0|2,1,1]=4 14 B5R0.3 CSC(=N)NN OR10968 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.3 O=CC(Br)C=O OR9497 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 O=CC(Cl)C=O OR17624 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 C#CC(=C)C OR13594 [1,0,0,0,0,0|0,0,2]=3 18 B4R0.1 C#CC(=O)O OR30972 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C#CC(C)=O OR7548 [1,0,0,0,0,0|0,0,2]=3 20 B4R0.1 C=C(Br)C#N OR305586 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C=C(C)CBr OR17610 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 C=C(C)CC OR14507 [1,0,0,0,0,0|0,0,1]=2 23 B4R0.1 C=C(C)CCl OR16423 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 C=C(C)CN OR10897 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 C=C(C)CN OR59958 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 C=C(C)CO OR16426 [1,0,0,0,0,0|0,0,2]=3 27 B4R0.1 C=C(C)OC OR17619 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 C=C(Cl)C#N OR5754 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C=C(Cl)CCl OR5736 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C=C(Cl)CO OR9536 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C=CC(C)C OR460043 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 C=CC(C)Cl OR55516 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 CC(=O)C=O OR53061 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 CC(=O)C=O OR5752 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 CC(=O)CO OR17702 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 CC(=O)NO OR6375T [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(C)=CCl OR16424 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CC(C)C=O OR322092 [1,0,0,0,0,0|0,0,1]=2 39 B4R0.1 CC(C)CI OR2195 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 CC(C)NN OR7919 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CC(C)NO OR59437 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.1 CC(C)ON OR933332 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(C)[Mg]Br OR320105 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(C)[Mg]Br OR320106 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CC(C)[Mg]Cl OR320107 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CCC(=N)N OR200136 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CCC(=O)[O-] OR70110 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 CCC(C)Br OR4335 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 CCC(C)Cl OR460003 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 CCC(C)I OR5340 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 CC[C@@H](C)N OR59999 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 CC[C@@H](C)O OR304038 [1,0,0,0,0,0|0,0,3]=4 53 B4R0.1 CC[C@H](C)N OR60000 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 CC[C@H](C)O OR4619 [1,0,0,0,0,0|0,0,3]=4 55 B4R0.1 CN(C)C#N OR12758 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 COC(N)=O OR46510 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 CSC(=N)N OR25052 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 C\C(Cl)=C/Cl OR460035 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 C\C(N)=N\O OR30585 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 NC(=O)CBr OR6592 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 NC(=O)CCl OR12801 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 NC(=O)CI OR59962 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 NC(=O)CO OR21888 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 NC(=O)CS OR24255 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 NC(=O)NO OR9108 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 O=C(Cl)CBr OR54475 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 O=C(O)CBr OR6366 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 O=C(O)CI OR322006 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 O=C(O)CO OR13191 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 O=C([O-])CS OR30627 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 O=CC(=O)O OR52099 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.2 C=CCCC OR5326 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.2 C=CCNC OR3619 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 CC=CCCl OR5497 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.2 CC=CCO OR18372 [1,0,0,0,0,0|0,0,2]=3 76 B4R0.2 CCOC=O OR28814 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.2 C\C=C\CCl OR51978 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.1 CCCC(C)C=O OR40018 [0,1,0,0,0,0|0,0,2]=3 79 B6R0.1 CCOC(=O)C=O OR59968 [0,1,0,0,0,0|1,0,1]=3 80 B6R0.3 CC(=O)C(=O)CBr OR46042 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.3 CC=C(C)C(C)=O OR0641 [0,1,0,0,0,0|0,0,0]=1 82 B6R0.3 CCC(N)C(=O)O OR9986 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.3 CC[C@H](C)C(=O)O OR315294 [0,1,0,0,0,0|0,0,2]=3 85 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.3 CC[C@H](N)C(=O)O OR01636 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.3 CC[C@H](N)C(N)=O OR46608 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.3 CNC(=O)C(=O)O OR016302 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.3 CNC(C)C(=O)O OR930477 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.3 CN[C@@H](C)C(=O)O OR61451 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.3 COC(=O)C(=O)[O-] OR303344 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.3 CON(C)C(C)=O OR46610 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.3 C\C=C(/C)C(=O)Cl OR55081 [0,1,0,0,0,0|0,0,0]=1 94 B6R0.3 C\C=C(\C)C(=O)O OR28647 [0,1,0,0,0,0|0,0,0]=1 95 B6R0.3 O=C(O)C(=O)CBr OR10838 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 O=C(O)C(=O)CBr OR8799 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.9 C=CC(OC)OC OR52642 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.9 CCC(CC)=NO OR30404 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.9 COC(C=O)OC OR59985 [0,1,0,0,0,0|1,0,1]=3 100 B6R1.2 BrC1=CCCC1 OR59361 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 BrC1=CNN=C1 OR8592 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 BrC1=COC=C1 OR23030 [0,0,0,1,0,0|1,0,2]=4 103 B6R1.2 BrC1=CON=C1 OR7800 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.2 BrC1=CSC=C1 OR6570 [0,0,0,1,0,0|1,1,1]=4 105 B6R1.2 BrC1=CSN=C1 OR301093 [0,0,0,1,0,0|2,1,0]=4 106 B6R1.2 CC1=CC=CN1 OR46081 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.2 CC1=CC=CS1 OR28832 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.2 CC1=CC=NO1 OR15750 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.2 CC1=CN=CS1 OR322292 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.2 CC1=CNC=C1 OR313041 [0,0,0,1,0,0|1,0,1]=3 111 B6R1.2 CC1=CNC=N1 OR8780 [0,0,0,1,0,0|2,0,1]=4 112 B6R1.2 CC1=CNN=N1 OR46054 [0,0,0,1,0,0|3,0,0]=4 113 B6R1.2 CC1=CSC=C1 OR10137 [0,0,0,1,0,0|0,1,1]=3 114 B6R1.2 CC1=CSN=N1 OR300907 [0,0,0,1,0,0|2,1,0]=4 115 B6R1.2 CC1=NCCO1 OR52090 [0,0,0,1,0,0|3,0,0]=4 116 B6R1.2 CC1=NNC=C1 OR301129 [0,0,0,1,0,0|2,0,1]=4 117 B6R1.2 CC1=NSC=C1 OR346143 [0,0,0,1,0,0|1,1,1]=4 118 B6R1.2 CN1C=CC=C1 OR5110 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 CN1C=CN=C1 OR10004 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 ClC1=CNN=C1 OR61421 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.2 ClC1=CSC=C1 OR0302 [0,0,0,1,0,0|1,1,1]=4 122 B6R1.2 IC1=CNN=C1 OR10990 [0,0,0,1,0,0|3,0,0]=4 123 B6R1.2 IC1=CSC=C1 OR2623 [0,0,0,1,0,0|1,1,1]=4 124 B6R1.2 NC1=CNN=C1 OR16453 [0,0,0,1,0,0|3,0,0]=4 125 B6R1.2 O=C1C=CCC1 OR9084 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.2 O=C1C=CCO1 OR2878 [0,0,0,1,0,0|3,0,0]=4 127 B6R1.6 O=CC1CCC1 OR313071 [0,0,0,1,0,0|0,0,2]=3 128 B6R1.6 O=CC1COC1 OR309108 [0,0,0,1,0,0|1,0,2]=4 129 B3R0.1 C=CC=C OR8596 [2,0,0,0,0,0|0,0,1]=3 130 B3R0.1 C=CCBr OR16937 [2,0,0,0,0,0|1,0,1]=4 131 B3R0.1 C=CCC OR8591 [2,0,0,0,0,0|0,0,1]=3 132 B3R0.1 C=CCCl OR3848 [2,0,0,0,0,0|1,0,1]=4 133 B3R0.1 C=CCI OR460034 [2,0,0,0,0,0|1,0,1]=4 134 B3R0.1 C=C[Mg]Br OR320074 [2,0,0,0,0,0|2,0,0]=4 135 B3R0.1 C=C[Mg]Cl OR320075 [2,0,0,0,0,0|2,0,0]=4 136 B3R0.1 CC#CC OR52506 [2,0,0,0,0,0|0,0,2]=4 137 B3R0.1 CC=CC OR61316 [2,0,0,0,0,0|0,0,0]=2 138 B3R0.1 CC=CCl OR40493 [2,0,0,0,0,0|1,0,0]=3 139 B3R0.1 CCC=O OR17251 [2,0,0,0,0,0|0,0,1]=3 140 B3R0.1 CCCC OR8385 [2,0,0,0,0,0|0,0,2]=4 141 B3R0.1 CCNC OR30626 [2,0,0,0,0,0|1,0,1]=4 142 B3R0.1 CNOC OR12778 [2,0,0,0,0,0|2,0,0]=4 143 B3R0.1 C\C=C/Cl OR4546 [2,0,0,0,0,0|1,0,0]=3 144 B3R0.1 C\C=C\C OR4472 [2,0,0,0,0,0|0,0,0]=2 145 B3R0.1 C\C=C\Cl OR6595 [2,0,0,0,0,0|1,0,0]=3 146 B3R0.2 C=C(C)Br OR55140 [2,0,0,0,0,0|1,0,0]=3 147 B3R0.2 C=C(C)C OR40492 [2,0,0,0,0,0|0,0,0]=2 148 B3R0.2 C=C(C)Cl OR1897 [2,0,0,0,0,0|1,0,0]=3 149 B3R0.2 CC(=N)N OR30204 [2,0,0,0,0,0|2,0,0]=4 150 B3R0.2 CC(=O)Br OR1943 [2,0,0,0,0,0|1,0,0]=3 151 B3R0.2 CC(=O)O OR28877 [2,0,0,0,0,0|1,0,0]=3 152 B3R0.2 CC(=O)O OR40340 [2,0,0,0,0,0|1,0,0]=3 153 B3R0.2 CC(=O)[O-] OR11032 [2,0,0,0,0,0|1,0,0]=3 154 B3R0.2 CC(=O)[S-] OR59966 [2,0,0,0,0,0|1,0,0]=3 155 B3R0.2 CC(C)I OR4540 [2,0,0,0,0,0|1,0,1]=4 156 B3R0.2 CC(C)N OR61315 [2,0,0,0,0,0|1,0,1]=4 157 B3R0.2 CC(N)=O OR16407 [2,0,0,0,0,0|1,0,0]=3 158 B3R0.2 CC(N)=S OR28604 [2,0,0,0,0,0|1,1,0]=4 159 B3R0.2 CN(C)C OR5415 [2,0,0,0,0,0|1,0,1]=4 160 B3R0.2 CS(=O)[O-] OR42101 [2,0,0,0,0,0|2,0,0]=4 161 B3R0.2 CS(C)=O OR61029 [2,0,0,0,0,0|1,0,0]=3 162 B3R0.2 C[13C](=O)O OR60238 [2,0,0,0,0,0|1,0,0]=3 163 B3R0.2 C[SiH](C)C OR17012 [2,0,0,0,0,0|0,1,1]=4 164 B3R0.2 NC(N)=O OR59884 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.1 C=CNC(C)=O OR938950 [1,1,0,0,0,0|0,0,1]=3 166 B5R0.1 C=COC(=O)Cl OR3129 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 CC#CC(=O)O OR315221 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.1 CC(=O)NCO OR61255 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.1 CC(C)=CCBr OR46013 [1,1,0,0,0,0|0,0,1]=3 170 B5R0.1 CC(C)=CCCl OR22167 [1,1,0,0,0,0|0,0,1]=3 171 B5R0.1 CC(C)=C[Mg]Br OR320001 [1,1,0,0,0,0|1,0,0]=3 172 B5R0.1 CC(C)=C[Mg]Cl OR320002 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.1 CCCC(=O)O OR6005 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.1 CCCC(=O)[O-] OR8783 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.1 CCNC(N)=O OR42229 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.1 COCC(=O)Cl OR40393 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.1 CSCC(=O)O OR4573 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.1 ClCC=C(Cl)Cl OR40579 [1,1,0,0,0,0|2,0,0]=4 179 B5R0.1 NC(=O)CCBr OR322315 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.1 NC(=O)CCCl OR26786 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.1 NCCC(=O)O OR5225 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.1 O=C(Cl)CCCl OR11057 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.1 O=C(O)CCBr OR8993 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.1 O=C(O)CCO OR59874 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.1 O=C(O)CCO OR70031 [1,1,0,0,0,0|1,0,1]=4 186 B5R0.1 O=C(O)\C=C\Cl OR2048 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.4 C=CC(C)(C)C OR28711 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.4 C=C[Si](C)(C)Cl OR315168 [1,1,0,0,0,0|1,1,0]=4 189 B5R0.4 CC(C)(Br)C=O OR52528 [1,1,0,0,0,0|0,0,1]=3 190 B5R0.4 CC(C)(C)C=O OR28610 [1,1,0,0,0,0|0,0,1]=3 191 B5R0.4 CNS(C)(=O)=O OR52265 [1,1,0,0,0,0|2,0,0]=4 192 B5R0.4 CSS(C)(=O)=O OR70034 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.5 C=C(C)C(=O)O OR54367 [1,1,0,0,0,0|0,0,0]=2 194 B5R0.5 C=C(C)C(C)C OR46606 [1,1,0,0,0,0|0,0,1]=3 195 B5R0.5 CC(=O)C(=O)O OR315034 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.5 CC(=O)C(C)=O OR5248 [1,1,0,0,0,0|0,0,0]=2 197 B5R0.5 CC(=O)C(C)Br OR1466 [1,1,0,0,0,0|0,0,1]=3 198 B5R0.5 CC(=O)C(C)C OR5350 [1,1,0,0,0,0|0,0,1]=3 199 B5R0.5 CC(Br)C(=O)Cl OR40726 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.5 CC(Br)C(N)=O OR24705 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.5 CC(C)=C(C)C OR18350 [1,1,0,0,0,0|0,0,1]=3 202 B5R0.5 CC(C)C(=N)N OR27276 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.5 CC(C)C(=O)Cl OR10005 [1,1,0,0,0,0|0,0,1]=3 204 B5R0.5 CN(C)C(=O)Cl OR51817 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.5 CN(C)C(=S)Cl OR28875 [1,1,0,0,0,0|1,1,0]=4 206 B5R0.5 CN(C)C(=S)[S-] OR9121 [1,1,0,0,0,0|1,1,0]=4 207 B5R0.5 CN(C)C(N)=O OR48247 [1,1,0,0,0,0|1,0,0]=3 208 B5R0.5 C[C@@H](Cl)C(=O)O OR52411 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.5 C[C@@H](O)C(=O)O OR960721 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.5 C[C@@H](O)C(N)=O OR18079 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.5 C[C@H](Cl)C(=O)O OR28944 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.5 C[C@H](N)C(N)=O OR22615 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.5 NC(=O)C(=O)O OR54598 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.5 NC(=O)C(N)=O OR16936 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.5 O=C(Br)C(=O)Br OR51921 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.5 O=C(Cl)C(=O)Cl OR1957 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.5 [C@H](C)(N)C(N)=O OR22614 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.2 BrC\C=C\CBr OR3193 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.2 C=CCNC=O OR28268 [1,1,0,0,0,0|0,0,2]=4 220 B5R0.2 CCCCC=O OR5422 [1,1,0,0,0,0|0,0,2]=4 221 B5R0.2 CCO\C=C/Br OR10832 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.2 CC(C=O)=CN(C)C OR24502 [0,2,0,0,0,0|0,0,0]=2 223 B7R0.2 CCC(C)CC(=O)O OR5351 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.2 CNC(=O)CC(C)=O OR54480 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.2 COC(=O)CC(=O)Cl OR8845 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.2 COC(=O)CC(=O)O OR54514 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.2 COC(=O)CC(=O)[O-] OR25586 [0,2,0,0,0,0|2,0,0]=4 228 B7R0.2 COC(=O)CC(C)=O OR54474 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.3 CC\C(C)=C\CCBr OR3009 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.3 COC(=O)CCC=O OR313049 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.5 CCOC(=O)C(=O)Cl OR17200 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.5 CCOC(=O)C(=O)[O-] OR303345 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.5 CCOC(=O)C(C)=O OR7781 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.10 CC(=N/O)\C(C)=N\O OR14325 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.10 CCC(=O)N(C)OC OR962763 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.10 COC(=O)C(=O)CBr OR8931 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.10 COC(=O)C(Cl)C=O OR300674 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.10 CON(C)C(=O)CCl OR10843 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.15 CNC(CS)C(=O)O OR28148 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.15 CN[C@@H](CO)C(=O)O OR54415 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.15 COC(OC)C(C)=O OR40044 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.16 CC(=O)C(Cl)C(C)=O OR47825 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.16 CC(=O)C(Cl)C(N)=O OR51821 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.16 CN(C)C(=O)C(=O)O OR0185 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.16 O=C(O)C(Cl)=C(Cl)Cl OR23621 [0,2,0,0,0,0|2,0,0]=4 246 B5R1.2 O=C1CCC1 OR30488 [1,0,0,1,0,0|0,0,1]=3 247 B5R1.2 O=C1CCN1 OR24812 [1,0,0,1,0,0|1,0,0]=3 248 B5R1.2 O=C1CNC1 OR308018 [1,0,0,1,0,0|1,0,1]=4 249 B5R1.2 O=C1COC1 OR301011 [1,0,0,1,0,0|1,0,1]=4 250 B5R1.3 O=CC1CC1 OR52083 [1,0,0,1,0,0|0,0,1]=3 251 B5R1.1 C1=CCCC1 OR10096 [1,0,0,1,0,0|1,0,1]=4 252 B5R1.1 C1=CCNC1 OR2396 [1,0,0,1,0,0|1,0,1]=4 253 B5R1.1 C1=CCOC1 OR5462 [1,0,0,1,0,0|0,0,2]=4 254 B5R1.1 C1=CNC=C1 OR28598 [1,0,0,1,0,0|1,0,1]=4 255 B5R1.1 C1=CNN=C1 OR4931 [1,0,0,1,0,0|2,0,0]=4 256 B5R1.1 C1=COCC1 OR2896 [1,0,0,1,0,0|0,0,2]=4 257 B5R1.1 C1=CON=C1 OR2580 [1,0,0,1,0,0|1,0,1]=4 258 B5R1.1 C1=CSC=C1 OR9435 [1,0,0,1,0,0|0,1,1]=4 259 B7R1.1 BrCC1=COC=C1 OR400006 [0,1,0,1,0,0|0,0,2]=4 260 B7R1.1 BrCC1=CSC=C1 OR43653 [0,1,0,1,0,0|0,1,1]=4 261 B7R1.1 COC1=CSC=C1 OR6628 [0,1,0,1,0,0|0,1,1]=4 262 B7R1.1 CSC1=CSC=C1 OR25457 [0,1,0,1,0,0|0,1,1]=4 263 B7R1.1 ClCC1=CSC=C1 OR6634 [0,1,0,1,0,0|0,1,1]=4 264 B7R1.1 NCC1=COC=C1 OR12311 [0,1,0,1,0,0|0,0,2]=4 265 B7R1.1 NCC1=COC=C1 OR23031 [0,1,0,1,0,0|0,0,2]=4 266 B7R1.1 NCC1=CSC=C1 OR23203 [0,1,0,1,0,0|0,1,1]=4 267 B7R1.1 O=CC1=CC=CN1 OR23112 [0,1,0,1,0,0|0,0,2]=4 268 B7R1.1 O=CC1=CC=CO1 OR23023 [0,1,0,1,0,0|0,0,2]=4 269 B7R1.1 O=CC1=CC=CS1 OR5053 [0,1,0,1,0,0|0,0,2]=4 270 B7R1.1 O=CC1=CC=NN1 OR301050 [0,1,0,1,0,0|1,0,1]=4 271 B7R1.1 O=CC1=CC=NO1 OR1858 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.1 O=CC1=CC=NS1 OR18559 [0,1,0,1,0,0|1,0,1]=4 273 B7R1.1 O=CC1=CN=CO1 OR52173 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.1 O=CC1=CN=CS1 OR10588 [0,1,0,1,0,0|1,0,1]=4 275 B7R1.1 O=CC1=CNC=C1 OR6181 [0,1,0,1,0,0|0,0,2]=4 276 B7R1.1 O=CC1=CNC=N1 OR2743 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.1 O=CC1=CNN=C1 OR301063 [0,1,0,1,0,0|1,0,1]=4 278 B7R1.1 O=CC1=COC=C1 OR23028 [0,1,0,1,0,0|0,0,2]=4 279 B7R1.1 O=CC1=COC=N1 OR12860 [0,1,0,1,0,0|1,0,1]=4 280 B7R1.1 O=CC1=CSC=C1 OR5054 [0,1,0,1,0,0|0,0,2]=4 281 B7R1.1 O=CC1=CSC=N1 OR13153 [0,1,0,1,0,0|1,0,1]=4 282 B7R1.1 O=CC1=CSN=C1 OR52174 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.1 O=CC1=CSN=N1 OR8149 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.1 O=CC1=NC=CN1 OR0497 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.1 O=CC1=NC=CO1 OR14993 [0,1,0,1,0,0|1,0,1]=4 286 B7R1.1 O=CC1=NC=CS1 OR14343 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.1 O=CC1=NNC=C1 OR46247 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.1 O=CC1CCCC1 OR16978 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.1 OCC1=CNN=C1 OR302030 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.1 OCC1=COC=C1 OR23029 [0,1,0,1,0,0|0,0,2]=4 291 B7R1.1 OCC1=CSC=C1 OR10141 [0,1,0,1,0,0|0,1,1]=4 292 B7R1.2 CC1=CC(=O)CC1 OR17891 [0,1,0,1,0,0|0,0,1]=3 293 B7R1.2 CC1=CC(=O)NO1 OR2998 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.2 CC1=CC(Br)=CS1 OR51728 [0,1,0,1,0,0|1,1,0]=4 295 B7R1.2 CC1=CC(C)=NN1 OR28782 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.2 CC1=CC=C(Br)S1 OR15029 [0,1,0,1,0,0|1,0,1]=4 297 B7R1.2 CC1=CC=C(C)O1 OR28939 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.2 CC1=CC=C(C)S1 OR10142 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.2 CC1=CC=C(I)S1 OR61040 [0,1,0,1,0,0|1,0,1]=4 300 B7R1.2 CC1=CC=C(N)S1 OR19530 [0,1,0,1,0,0|1,0,1]=4 301 B7R1.2 CC1=CN=C(Br)S1 OR40428 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.2 CC1=CN=C(C)S1 OR61055 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.2 CC1=CN=C(N)S1 OR1207 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.2 CC1=CNC(Br)=N1 OR1205 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.2 CC1=CNC(C)=C1 OR9930 [0,1,0,1,0,0|1,0,0]=3 306 B7R1.2 CC1=CNC(C)=N1 OR54335 [0,1,0,1,0,0|1,0,0]=3 307 B7R1.2 CC1=COC(N)=N1 OR18426 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.2 CC1=CSC(Br)=N1 OR2600 [0,1,0,1,0,0|1,1,0]=4 309 B7R1.2 CC1=CSC(N)=N1 OR7736 [0,1,0,1,0,0|1,1,0]=4 310 B7R1.2 CC1=CSC(S)=N1 OR18300 [0,1,0,1,0,0|1,1,0]=4 311 B7R1.2 CC1=NC(Br)=CN1 OR10370 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.2 CC1=NC(Br)=CS1 OR8527 [0,1,0,1,0,0|1,1,0]=4 313 B7R1.2 CC1=NC(I)=CN1 OR322249 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.2 CC1=NC=C(Br)S1 OR40092 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.2 CC1=NN(C)C=C1 OR2502 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.2 CC1=NN=C(C)S1 OR24865 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.2 CN1C=C(Br)C=N1 OR6411 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.2 CN1C=C(I)C=N1 OR6685 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.2 CN1C=C(N)C=N1 OR110642 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.2 CN1C=C(N)C=N1 OR43645 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.2 CN1C=C(O)C=N1 OR301025 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.2 CN1C=C(O)C=N1 OR70085 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.2 CN1C=C[N+](C)=C1 OR301041 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.2 NC1=NC(=O)CS1 OR27571 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.2 NC1=NC(=O)CS1 OR27978 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.2 O=C1C=CC(=O)N1 OR5487 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.2 O=C1C=CC(=O)O1 OR61510 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.2 O=C1CCC(=O)C1 OR24952 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.2 O=C1CCC(=O)O1 OR42120 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.2 O=C1COC(=O)C1 OR15973 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.2 O=C1COC(=O)C1 OR28721 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.2 O=C1CSC(=O)N1 OR5630 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.2 O=C1CSC(=S)N1 OR22181 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.3 CC1=CCCCC1 OR7135 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.3 CC1=CN=CN=C1 OR8286 [0,1,0,1,0,0|1,0,1]=4 336 B7R1.3 CC1=CN=NC=C1 OR25618 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.3 CC1=NC=CN=C1 OR52198 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.4 CC1=C(Br)C=CO1 OR12443 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.4 CC1=C(Br)C=CS1 OR13721 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.4 CC1=C(Br)N=CN1 OR1225 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.4 CC1=C(Br)SC=C1 OR8041 [0,1,0,1,0,0|0,1,1]=4 342 B7R1.4 CC1=C(Br)SC=N1 OR18109 [0,1,0,1,0,0|1,1,0]=4 343 B7R1.4 CC1=C(C)SC=C1 OR7265 [0,1,0,1,0,0|0,1,0]=3 344 B7R1.4 CC1=C(Cl)SC=C1 OR10152 [0,1,0,1,0,0|0,1,1]=4 345 B7R1.4 CC1=C(I)C=NO1 OR14344 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.4 CC1=C(I)N=CN1 OR52397 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.4 CC1=CC=NN1C OR2504 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.4 CC1=CNN=C1C OR52685 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.4 CC1=COC=C1Br OR52232 [0,1,0,1,0,0|0,0,2]=4 350 B7R1.4 CC1=CSC=C1Br OR9461 [0,1,0,1,0,0|0,1,1]=4 351 B7R1.4 CC1=NNC=C1Br OR350075 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.4 CC1=NNC=C1I OR14994 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.4 CC1=NSC=C1N OR346368 [0,1,0,1,0,0|1,1,0]=4 354 B7R1.4 CC1CCOC1=O OR55456 [0,1,0,1,0,0|0,0,2]=4 355 B7R1.4 CC1OCCC1=O OR28730 [0,1,0,1,0,0|0,0,2]=4 356 B7R1.4 O=C1CCC=C1Br OR19566 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.12 C[C@@H]1C[C@H]1C(=O)O OR303309 [0,1,0,1,0,0|0,0,2]=4 358 B7R1.12 C[C@H]1C[C@@H]1C(=O)O OR41152 [0,1,0,1,0,0|0,0,2]=4 359 B7R1.18 O=C(Cl)C1CCC1 OR28716 [0,1,0,1,0,0|0,0,2]=4 360 B7R1.18 O=C(O)C1CCC1 OR8888 [0,1,0,1,0,0|0,0,2]=4 361 B7R1.18 O=C(O)[C@@H]1CCN1 OR1250T [0,1,0,1,0,0|1,0,1]=4 362 B7R1.19 CC1(C(=O)O)CC1 OR24738 [0,1,0,1,0,0|0,0,2]=4