0 B7R0.1 CCCCCOC=O SBB060301 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.1 C\C=C\CCCCC SBB059885 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|0,0,3]=4 3 B6R0.6 CCCCNC=O SBB060026 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.6 CCCCOC=O SBB060300 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,0,0,0,0|0,0,1]=2 6 B6R0.6 CC\C=C/CCO SBB007739 [1,0,0,0,0,0|0,0,3]=4 7 B8R0.1 CCOC(=O)CNC=O SBB067158 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.4 CCCCC\C=C\C=O SBB068337 [0,1,0,0,0,0|0,0,2]=3 10 B8R0.6 C\C=C\C=C\C(=O)NO SBB008191 [0,1,0,0,0,0|1,0,2]=4 11 B8R1.2 BrCC1=CC=NC=C1 SBB054924 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.2 BrCC1=NC=CC=C1 SBB054926 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.2 C#CC1=CC=CC=C1 SBB040919 [0,0,0,1,0,0|1,0,2]=4 14 B8R1.2 C#CC1=CC=CC=N1 SBB006619 [0,0,0,1,0,0|1,0,2]=4 15 B8R1.2 C=CC1CC=CCC1 SBB059892 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.2 CCC1=CC=CC=C1 SBB040891 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.2 CCC1=CC=CC=N1 SBB060373 [0,0,0,1,0,0|1,0,0]=2 18 B8R1.2 CCC1=CC=NC=C1 SBB061128 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.2 CCC1=CN=CC=C1 SBB060374 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.2 CNC1=CC=CC=C1 SBB008162 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.2 CNC1=CC=CC=C1 SBB059778 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.2 CNC1=NC=CN=C1 SBB018751 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.2 ClCC1=CC=NC=C1 SBB003917 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.2 ClCC1=NC=CC=C1 SBB054925 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.2 N#CC1=CC=CC=C1 SBB028746 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.2 N#CC1=NC=CC=C1 SBB008920 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.2 NCC1=CC=CC=C1 SBB040473 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.2 NCC1=CC=CN=C1 SBB004351 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.2 NCC1=CC=NC=C1 SBB004350 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.2 NCC1=NC=CC=C1 SBB004352 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.2 NCC1=NC=CN=C1 SBB014584 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.2 NCC1=NC=NC=C1 SBB086444 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.2 NNC1=CC=CC=C1 SBB040886 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.2 O=CC1=CC=CN=C1 SBB004359 [0,0,0,1,0,0|1,0,1]=3 35 B8R1.2 O=CC1=CC=NC=C1 SBB004357 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.2 O=CC1=CCCOC1 SBB018863 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.2 O=CC1=CN=CN=C1 SBB065690 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.2 O=CC1=NC=CC=C1 SBB004358 [0,0,0,1,0,0|1,0,1]=3 39 B8R1.2 O=CC1=NC=CC=N1 SBB052320 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.2 O=CC1=NC=CN=C1 SBB052318 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.2 O=CC1CC=CCC1 SBB068360 [0,0,0,1,0,0|0,0,2]=3 42 B8R1.2 OCC1=CC=CC=C1 SBB058558 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.2 OCC1=CC=CN=C1 SBB004344 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.2 OCC1=CC=CN=N1 SBB054829 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.2 OCC1=CC=NC=C1 SBB004347 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.2 OCC1=NC=CC=C1 SBB004348 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.2 OCC1=NC=CN=C1 SBB054824 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.2 OCC1=NC=NC=C1 SBB054828 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.2 ONC1=CC=CC=C1 SBB008413 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.2 [NH+]1=CC=CC(CCl)=C1 SBB061738 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.2 [NH3+]NC1=CC=CC=C1 SBB060000 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.5 CC1=C(C)C=CC=C1 SBB040816 [0,0,0,1,0,0|1,0,1]=3 53 B8R1.5 CC1=C(C)C=NC=C1 SBB040907 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.5 CC1=C(C)N=CC=C1 SBB060735 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.5 CC1=C(N)C=CC=C1 SBB028141 [0,0,0,1,0,0|1,0,1]=3 56 B8R1.5 CC1=C(N)C=CN=C1 SBB027197 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.5 CC1=C(N)C=NC=C1 SBB028185 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.5 CC1=CC=CC=C1N SBB058642 [0,0,0,1,0,0|1,0,1]=3 59 B8R1.5 CC1=CC=CC=C1O SBB060100 [0,0,0,1,0,0|0,0,2]=3 60 B8R1.5 CC1=CC=CN=C1Br SBB054403 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.5 CC1=CC=CN=C1I SBB054379 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.5 CC1=CC=CN=C1N SBB004356 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.5 CC1=CC=CNC1=O SBB040120 [0,0,0,1,0,0|1,0,1]=3 64 B8R1.5 CC1=CC=NC=C1Br SBB054294 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.5 CC1=CC=NC=C1O SBB055538 [0,0,0,1,0,0|1,0,2]=4 66 B8R1.5 CC1=NC=CC=C1Br SBB054275 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.5 CC1=NC=CC=C1Cl SBB054401 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.5 CC1=NC=CC=C1N SBB069748 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.5 CN1C=CC=CC1=S SBB085613 [0,0,0,1,0,0|1,1,0]=3 70 B8R1.5 C[N+]1=CC=CC=C1Br SBB088730 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.5 ClC1=CC=CC=C1Cl SBB040881 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.5 FC1=C(Br)C=CC=C1 SBB088989 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.5 FC1=C(Cl)C=CC=C1 SBB085774 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.5 FC1=C(I)C=CC=C1 SBB096229 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.5 NC1=C(Br)C=CC=C1 SBB058717 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.5 NC1=C(O)C=CC=C1 SBB040832 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.5 NC1=C(S)C=CC=C1 SBB009960 [0,0,0,1,0,0|1,1,1]=4 78 B8R1.5 NC1=CC=CC=C1Cl SBB040494 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.5 NC1=CC=CC=C1Cl SBB087744 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.5 NC1=CC=CC=C1F SBB040472 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.5 NC1=CC=CC=C1I SBB016575 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.5 NC1=CC=CC=C1N SBB040801 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.5 NC1=CC=CNC1=O SBB000038 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.5 NC1=[N+]([O-])C=CC=C1 SBB051816 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.5 O=C1C=CC=CN1O SBB004329 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.5 O=C1NC=CC=C1Br SBB088834 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.5 OC1=CC=CC=C1I SBB055205 [0,0,0,1,0,0|1,0,2]=4 88 B8R1.5 OC1=CC=CC=C1O SBB040792 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.5 SC1=CC=CC=C1Br SBB063171 [0,0,0,1,0,0|1,1,1]=4 90 B8R1.5 [O-][N+]1=C(S)C=CC=C1 SBB065304 [0,0,0,1,0,0|2,1,0]=4 91 B8R1.5 [O-][N+]1=CC=CC=C1Cl SBB085747 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.5 [O-][N+]1=CC=CC=C1O SBB004330 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.8 CCCC1=CC=CS1 SBB073407 [0,0,0,1,0,0|0,1,1]=3 94 B8R1.8 CCCC1=NC=CS1 SBB055797 [0,0,0,1,0,0|1,1,1]=4 95 B8R1.8 CCCN1C=CC=N1 SBB024228 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.8 CNCC1=CC=CO1 SBB079004 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.8 NCCC1=CC=CO1 SBB013333 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.8 NCCC1=CC=CS1 SBB013250 [0,0,0,1,0,0|1,1,1]=4 99 B8R1.8 NCCC1=CC=CS1 SBB013650 [0,0,0,1,0,0|1,1,1]=4 100 B8R1.8 OCCC1=CC=CS1 SBB062831 [0,0,0,1,0,0|1,1,1]=4 101 B8R1.11 C(=O)C1=C(C)C=NN1 SBB027085 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.11 C(=O)C1=NC=CN1C SBB004338 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.11 CC1=C(C=O)C=CO1 SBB052277 [0,0,0,1,0,0|1,0,1]=3 104 B8R1.11 CC1=C(C=O)C=NN1 SBB024513 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.11 CC1=C(C=O)NC=N1 SBB052313 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.11 CC1=C(C=O)SC=C1 SBB040199 [0,0,0,1,0,0|1,0,1]=3 107 B8R1.11 CC1=C(C=O)SC=N1 SBB052288 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.11 CC1=C(CN)SC=C1 SBB028229 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.11 CC1=C(CO)C=CO1 SBB054803 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.11 CCC1=CC=NN1C SBB026460 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.11 CCC1=CNN=C1N SBB069760 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.11 CCN1N=CC=C1C SBB020345 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.11 CCN1N=CC=C1F SBB116429 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.11 CCN1N=CC=C1I SBB116428 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.11 CCN1N=CC=C1N SBB005554 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.11 CN1C=CC=C1C=O SBB040239 [0,0,0,1,0,0|1,0,0]=2 117 B8R1.11 CN1C=NC=C1C=O SBB010122 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.11 CN1N=CC=C1C=O SBB017366 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.11 O=CC1=C(Br)C=CO1 SBB067497 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.11 O=CC1=C(Br)C=CS1 SBB052262 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.11 O=CC1=CSC=C1Br SBB091234 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.22 O=C1C=CC=CC=C1 SBB057378 [0,0,0,1,0,0|0,0,2]=3 123 B8R1.49 C1=CCCC=CCC1 SBB059891 [0,0,0,1,0,0|1,0,2]=4 124 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,1,0,0,0,0|0,0,1]=3 125 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [1,1,0,0,0,0|0,0,0]=2 126 B7R0.4 OC(=O)C\C=C/CC SBB006610 [1,1,0,0,0,0|0,0,1]=3 127 B7R0.7 C=C=CC(=O)OCC SBB054147 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,1,0,0,0,0|1,0,1]=4 129 B9R0.48 CCNC(=O)\C=C/C(=O)O SBB028463 [0,2,0,0,0,0|1,0,0]=3 130 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [0,2,0,0,0,0|1,0,0]=3 131 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [0,2,0,0,0,0|0,0,2]=4 132 B9R0.45 C(=O)\C=C\CC\C=C/CC SBB006611 [0,2,0,0,0,0|0,0,0]=2 133 B9R0.55 O=C(O)\C=C\C=C\C(=O)O SBB056770 [0,2,0,0,0,0|1,0,1]=4 134 B7R1.1 BrCC1=CSC=C1 SBB070721 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.1 C(=O)C1=CN=CN1 SBB004381 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.1 C(=O)C1=CN=CN1 SBB004382 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.1 C(=O)C1=CSC=C1 SBB004320 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.1 CCN1C=CC=N1 SBB020346 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.1 CCN1C=CN=C1 SBB045396 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.1 CSC1=CC=CS1 SBB085766 [1,0,0,1,0,0|1,1,0]=4 141 B7R1.1 CSC1=CSC=C1 SBB055747 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.1 NCC1=CC=CO1 SBB004376 [1,0,0,1,0,0|1,0,1]=4 143 B7R1.1 NCC1=CC=CS1 SBB004315 [1,0,0,1,0,0|1,1,0]=4 144 B7R1.1 NCC1=CSC=C1 SBB079179 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.1 O=CC1=CC=CN1 SBB004389 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.1 O=CC1=CC=CN1 SBB004390 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.1 O=CC1=CC=CO1 SBB004386 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.1 O=CC1=CC=CS1 SBB004321 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.1 O=CC1=CN=CS1 SBB052293 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.1 O=CC1=CNC=C1 SBB052279 [1,0,0,1,0,0|1,0,1]=4 151 B7R1.1 O=CC1=COC=C1 SBB004385 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.1 O=CC1=COC=N1 SBB052299 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.1 O=CC1=CSC=N1 SBB047478 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.1 O=CC1=NC=CN1 SBB004383 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.1 O=CC1=NC=CN1 SBB004384 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.1 O=CC1=NC=CO1 SBB052295 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.1 O=CC1=NC=CS1 SBB052286 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.1 O=CC1=NNC=C1 SBB052310 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.1 OCC1=CC=CO1 SBB004373 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.1 OCC1=CC=CS1 SBB058563 [1,0,0,1,0,0|1,1,0]=4 161 B7R1.1 OCC1=CSC=C1 SBB004309 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.1 SCC1=CC=CO1 SBB004308 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.3 BrC1=NC=CC=C1 SBB003999 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.3 CC1=CN=CC=N1 SBB060830 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.3 ClC1=CC=CC=C1 SBB040899 [1,0,0,1,0,0|1,0,1]=4 166 B7R1.3 ClC1=NC=CC=C1 SBB079180 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.3 FC1=NC=CC=C1 SBB062911 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.3 IC1=NC=CC=C1 SBB054364 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.3 NC1=CC=CC=N1 SBB004394 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.3 O=C1C=CC=NN1 SBB005360 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,1,0,0|0,0,1]=3 172 B7R1.3 O=C1C=CNC=C1 SBB005800 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.3 O=C1N=CC=CN1 SBB004216 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.3 OC1=CC=CC=N1 SBB004392 [1,0,0,1,0,0|1,0,1]=4 175 B7R1.3 SC1=CC=CC=N1 SBB058593 [1,0,0,1,0,0|1,1,0]=4 176 B7R1.4 CC1=C(Br)SC=C1 SBB089226 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.24 C1=CC=CCC=C1 SBB061185 [1,0,0,1,0,0|0,0,1]=3 178 B9R1.2 C(=O)C1=CC=CC(C)=N1 SBB004287 [0,1,0,1,0,0|0,0,1]=3 179 B9R1.2 CC1=CC(C=O)=NC=C1 SBB052226 [0,1,0,1,0,0|1,0,1]=4 180 B9R1.2 CC1=CC(CN)=NC=C1 SBB052434 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.2 CC1=CC=CC(CBr)=C1 SBB054906 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.2 CC1=CC=CC(CBr)=N1 SBB070747 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.2 CC1=CC=CC(CCl)=C1 SBB040670 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.2 CC1=CC=CC(CN)=C1 SBB048016 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.2 CC1=CC=CC(CO)=C1 SBB064816 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.2 CC1=CC=CC(CO)=N1 SBB065460 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [0,1,0,1,0,0|1,0,0]=3 190 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [0,1,0,1,0,0|1,0,0]=3 191 B9R1.2 CCC1=CC=CC(Br)=C1 SBB090239 [0,1,0,1,0,0|1,0,0]=3 192 B9R1.2 CCC1=CC=NC(N)=C1 SBB028207 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.2 CCC1=CN=CC(Br)=C1 SBB054407 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [0,1,0,1,0,0|1,0,0]=3 195 B9R1.2 CNC1=CC(Cl)=CC=C1 SBB086218 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.2 COC1=CC(Br)=CC=C1 SBB007886 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.2 COC1=CC(F)=CC=C1 SBB085642 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.2 COC1=CC(O)=CC=C1 SBB060932 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.2 COC1=CC=CC(Br)=N1 SBB054383 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.2 COC1=CC=CC(C)=C1 SBB061028 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.2 COC1=CC=CC(F)=N1 SBB085671 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.2 COC1=CC=CC(I)=C1 SBB059058 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.2 COC1=CC=CC(N)=C1 SBB040499 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.2 COC1=CC=CC(N)=N1 SBB051862 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.2 COC1=NC=CC(Br)=C1 SBB054328 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.2 COC1=NC=CC(N)=C1 SBB051798 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.2 CSC1=NC=CC(=O)N1 SBB062854 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.2 ClCC1=CC(Cl)=CC=C1 SBB040671 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.2 FC1=CC(CBr)=CC=C1 SBB090883 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.2 FC1=CC=CC(CCl)=C1 SBB040605 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.2 NC1=CC=CC(CO)=C1 SBB037932 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.2 NCC1=CC(Cl)=CC=C1 SBB004155 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.2 NCC1=CC=CC(Br)=C1 SBB005796 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.2 NCC1=CC=CC(F)=C1 SBB028218 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.2 O=CC1=CC(Br)=CN=C1 SBB052232 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.2 O=CC1=CC=CC(Br)=C1 SBB028648 [0,1,0,1,0,0|0,0,2]=4 217 B9R1.2 O=CC1=CC=CC(Cl)=C1 SBB040204 [0,1,0,1,0,0|0,0,2]=4 218 B9R1.2 O=CC1=CC=CC(F)=C1 SBB040273 [0,1,0,1,0,0|0,0,2]=4 219 B9R1.2 O=CC1=CC=CC(I)=C1 SBB064701 [0,1,0,1,0,0|0,0,2]=4 220 B9R1.2 O=CC1=CC=CC(O)=C1 SBB040208 [0,1,0,1,0,0|0,0,2]=4 221 B9R1.2 O=CC1=CN=CC(F)=C1 SBB065432 [0,1,0,1,0,0|1,0,1]=4 222 B9R1.2 O=CC1=NC(Br)=CC=C1 SBB052238 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.2 O=CC1=NC(Cl)=CC=C1 SBB052254 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.2 OCC1=CC(Cl)=CC=N1 SBB065656 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.2 OCC1=CC(F)=CC=C1 SBB064188 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.2 OCC1=CC(I)=CC=C1 SBB068728 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.2 OCC1=CC(S)=CC=C1 SBB054760 [0,1,0,1,0,0|1,1,0]=4 228 B9R1.2 OCC1=CC=CC(Br)=C1 SBB063014 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.2 OCC1=CC=CC(Cl)=C1 SBB064716 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.2 OCC1=CC=CC(O)=C1 SBB068731 [0,1,0,1,0,0|1,0,1]=4 231 B9R1.2 OCC1=NC(Cl)=CC=C1 SBB054794 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.2 [NH3+]CC1=CC(I)=CC=C1 SBB058984 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [0,1,0,1,0,0|1,0,0]=3 235 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [0,1,0,1,0,0|1,0,0]=3 237 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.8 CNCC1=CC=NC=C1 SBB047816 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [0,1,0,1,0,0|1,0,0]=3 241 B9R1.8 CNCC1=NC=CN=C1 SBB014431 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.8 COCC1=CC=CC=C1 SBB063549 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [0,1,0,1,0,0|1,0,0]=3 244 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.8 N#CCC1=NC=CC=C1 SBB049639 [0,1,0,1,0,0|1,0,1]=4 246 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.8 NCCC1=NC=CN=C1 SBB010197 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [0,1,0,1,0,0|0,0,2]=4 256 B9R1.8 O=CNC1=CC=CC=C1 SBB058769 [0,1,0,1,0,0|0,0,2]=4 257 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [0,1,0,1,0,0|1,0,0]=3 258 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.8 SCCC1=NC=CN=C1 SBB067078 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.12 C(=O)\C=C\C1=CC=CO1 SBB004286 [0,1,0,1,0,0|0,0,2]=4 261 B9R1.12 CCNCC1=CC=CO1 SBB047492 [0,1,0,1,0,0|0,0,2]=4 262 B9R1.12 NCCCC1=CC=CO1 SBB047796 [0,1,0,1,0,0|0,0,2]=4 263 B9R1.15 BrCC1=CC=CN=C1Br SBB070876 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.15 C(=O)C1=CC=CN=C1Cl SBB004156 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.15 CC1=C(C#N)C=CC=C1 SBB058479 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.15 CC1=C(C=O)C=CN=C1 SBB065410 [0,1,0,1,0,0|0,0,1]=3 267 B9R1.15 CC1=C(C=O)C=NC=C1 SBB052236 [0,1,0,1,0,0|0,0,1]=3 268 B9R1.15 CC1=C(CBr)N=CC=C1 SBB021212 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.15 CC1=C(CCl)C=CC=C1 SBB040606 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.15 CC1=C(CN)C=CC=C1 SBB042694 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.15 CC1=C(NN)C=CC=C1 SBB017148 [0,1,0,1,0,0|1,0,1]=4 272 B9R1.15 CC1=C(NN)C=CC=C1 SBB064148 [0,1,0,1,0,0|1,0,1]=4 273 B9R1.15 CC1=CC=CC=C1CO SBB065157 [0,1,0,1,0,0|0,0,2]=4 274 B9R1.15 CC1=CC=CC=C1CS SBB086035 [0,1,0,1,0,0|0,1,1]=4 275 B9R1.15 CC1=CC=CN=C1C=O SBB052241 [0,1,0,1,0,0|0,0,1]=3 276 B9R1.15 CC1=CC=CN=C1CN SBB052454 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.15 CCC1=C(N)C=CC=C1 SBB040452 [0,1,0,1,0,0|1,0,0]=3 278 B9R1.15 CCC1=CC=CC=C1C SBB061450 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.15 CNC1=CC=CC=C1Cl SBB086216 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.15 CNC1=CC=CC=C1F SBB051706 [0,1,0,1,0,0|1,0,1]=4 281 B9R1.15 CNC1=CC=CC=C1N SBB071575 [0,1,0,1,0,0|1,0,1]=4 282 B9R1.15 COC1=C(I)N=CC=C1 SBB098345 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.15 COC1=C(N)C=CC=C1 SBB028142 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.15 COC1=C(O)C=CC=C1 SBB058681 [0,1,0,1,0,0|0,0,2]=4 285 B9R1.15 COC1=CC=CC=C1Cl SBB060957 [0,1,0,1,0,0|1,0,1]=4 286 B9R1.15 COC1=CC=CC=C1F SBB040818 [0,1,0,1,0,0|1,0,1]=4 287 B9R1.15 COC1=CC=CN=C1Br SBB005633 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.15 COC1=CC=CN=C1N SBB051907 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.15 COC1=CC=CN=C1O SBB046500 [0,1,0,1,0,0|1,0,1]=4 290 B9R1.15 CSC1=C(Br)C=CC=C1 SBB006566 [0,1,0,1,0,0|1,0,1]=4 291 B9R1.15 CSC1=C(Cl)C=CC=C1 SBB058978 [0,1,0,1,0,0|1,0,1]=4 292 B9R1.15 CSC1=NC=CC=C1N SBB072554 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.15 ClCC1=C(Cl)C=CC=C1 SBB040669 [0,1,0,1,0,0|1,0,1]=4 294 B9R1.15 FC1=C(CBr)C=CC=C1 SBB058868 [0,1,0,1,0,0|1,0,1]=4 295 B9R1.15 FC1=C(CCl)C=CC=C1 SBB040603 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.15 NC1=C(C=O)C=NC=C1 SBB014341 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.15 NC1=C(CO)C=CC=C1 SBB058759 [0,1,0,1,0,0|1,0,1]=4 298 B9R1.15 NC1=CC=CC=C1C=O SBB061591 [0,1,0,1,0,0|0,0,2]=4 299 B9R1.15 NC1=CC=NC=C1CO SBB054791 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.15 NC1=CN=CC=C1C=O SBB052230 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.15 NC1=CN=CC=C1CO SBB054795 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.15 NC1=NC=CC=C1C=O SBB012985 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.15 NC1=NC=CC=C1CO SBB054786 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.15 NCC1=C(Cl)C=CC=C1 SBB004151 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.15 NCC1=C(F)C=CC=C1 SBB028214 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.15 NCC1=CC=CC=C1Br SBB052369 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.15 NCC1=CC=CC=C1Br SBB052411 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.15 O=CC1=C(F)C=NC=C1 SBB065535 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.15 O=CC1=CC=CC=C1Br SBB040217 [0,1,0,1,0,0|0,0,2]=4 310 B9R1.15 O=CC1=CC=CC=C1Cl SBB040228 [0,1,0,1,0,0|0,0,2]=4 311 B9R1.15 O=CC1=CC=CC=C1F SBB040198 [0,1,0,1,0,0|0,0,2]=4 312 B9R1.15 O=CC1=CC=CC=C1I SBB017119 [0,1,0,1,0,0|0,0,2]=4 313 B9R1.15 O=CC1=CC=CC=C1O SBB040225 [0,1,0,1,0,0|0,0,2]=4 314 B9R1.15 O=CC1=CC=CN=C1Br SBB052224 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.15 O=CC1=CC=CN=C1F SBB065263 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.15 O=CC1=CC=NC=C1Br SBB052233 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.15 O=CC1=CN=CC=C1Cl SBB065433 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.15 O=CC1=NC=CC=C1F SBB065527 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.15 OCC1=C(F)C=CC=C1 SBB064085 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.15 OCC1=C(O)C=CC=N1 SBB085588 [0,1,0,1,0,0|1,0,1]=4 321 B9R1.15 OCC1=CC=CC=C1Br SBB063922 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.15 OCC1=CC=CC=C1Cl SBB058557 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.15 OCC1=CC=CC=C1O SBB065036 [0,1,0,1,0,0|0,0,2]=4 324 B9R1.15 OCC1=CC=CN=C1Cl SBB054785 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.15 SCC1=CC=CC=C1Br SBB066540 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.22 CC1=CC(C)=C(C=O)N1 SBB066755 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.22 CC1=CC(C=O)=C(C)S1 SBB009464 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.22 CC1=CN(C)C(C=O)=N1 SBB073495 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.22 CC1=NN(C)C(C=O)=C1 SBB017345 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.22 CCN1C=C(C)C=C1N SBB059485 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.27 CC1=C(C=O)N(C)N=C1 SBB051415 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.27 CN1C=NC(Br)=C1C=O SBB067579 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.27 CN1C=NC(I)=C1C=O SBB067580 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.27 CN1N=CC(Br)=C1C=O SBB020581 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.27 CN1N=CC(Cl)=C1C=O SBB020580 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.27 N1C=C(C)C(CC)=C1C SBB004274 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.33 CN1C=CC=C1\C=N\O SBB085555 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.33 CNCC1=C(C)C=CS1 SBB010286 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.33 CNCC1=CC=CN1C SBB010236 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.69 CC1=C(Br)C=C(F)C=C1 SBB090882 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.69 CC1=C(Br)C=C(N)C=C1 SBB001737 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.69 CC1=C(Br)C=CC(F)=C1 SBB090884 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.69 CC1=C(Br)C=CC(N)=C1 SBB040486 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.69 CC1=C(C)C=C(F)C=C1 SBB085562 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.69 CC1=C(C)C=C(N)C=C1 SBB040496 [0,1,0,1,0,0|1,0,1]=4 346 B9R1.69 CC1=C(Cl)C=C(F)C=C1 SBB086382 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.69 CC1=C(Cl)C=CC(F)=C1 SBB086375 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.69 CC1=C(F)C=C(Br)C=C1 SBB090880 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.69 CC1=C(F)C=C(Cl)C=C1 SBB086380 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.69 CC1=C(F)C=C(F)C=C1 SBB085715 [0,1,0,1,0,0|1,0,1]=4 351 B9R1.69 CC1=C(F)C=C(I)C=C1 SBB098502 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.69 CC1=C(F)C=CC(Br)=C1 SBB090877 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.69 CC1=C(F)C=CC(Cl)=C1 SBB086379 [0,1,0,1,0,0|1,0,1]=4 354 B9R1.69 CC1=C(F)C=CC(F)=C1 SBB085716 [0,1,0,1,0,0|1,0,1]=4 355 B9R1.69 CC1=C(F)C=CC(O)=C1 SBB085652 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.69 CC1=C(I)C=C(F)C=C1 SBB098508 [0,1,0,1,0,0|1,0,1]=4 357 B9R1.69 CC1=C(N)C=C(Cl)C=C1 SBB028133 [0,1,0,1,0,0|1,0,1]=4 358 B9R1.69 CC1=C(N)C=C(N)C=C1 SBB007556 [0,1,0,1,0,0|1,0,1]=4 359 B9R1.69 CC1=C(N)C=CC(Cl)=C1 SBB040954 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.69 CC1=C(N)C=CC(N)=C1 SBB069792 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.69 CC1=C(N)C=CC(O)=C1 SBB058775 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.69 CC1=C(O)C=C(F)C=C1 SBB085644 [0,1,0,1,0,0|0,0,2]=4 363 B9R1.69 CC1=C(O)C=CC(Cl)=C1 SBB060653 [0,1,0,1,0,0|0,0,2]=4 364 B9R1.69 CC1=C(O)C=CC(F)=C1 SBB085648 [0,1,0,1,0,0|0,0,2]=4 365 B9R1.69 CC1=C(O)C=CC(O)=C1 SBB058737 [0,1,0,1,0,0|0,0,2]=4 366 B9R1.69 CC1=CC(Br)=CC=C1Br SBB054165 [0,1,0,1,0,0|1,0,1]=4 367 B9R1.69 CC1=CC(Br)=CC=C1N SBB040871 [0,1,0,1,0,0|1,0,1]=4 368 B9R1.69 CC1=CC(Br)=CC=C1O SBB079997 [0,1,0,1,0,0|0,0,2]=4 369 B9R1.69 CC1=CC(C)=C(C)C=C1 SBB060396 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.69 CC1=CC(C)=C(F)C=C1 SBB085564 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.69 CC1=CC(C)=C(O)C=C1 SBB060657 [0,1,0,1,0,0|0,0,2]=4 372 B9R1.69 CC1=CC(Cl)=CC=C1Cl SBB061484 [0,1,0,1,0,0|1,0,1]=4 373 B9R1.69 CC1=CC(F)=C(C)C=C1 SBB085563 [0,1,0,1,0,0|1,0,1]=4 374 B9R1.69 CC1=CC(F)=CC=C1N SBB028217 [0,1,0,1,0,0|1,0,1]=4 375 B9R1.69 CC1=CC(I)=CC=C1F SBB098506 [0,1,0,1,0,0|1,0,1]=4 376 B9R1.69 CC1=CC(I)=CC=C1N SBB043651 [0,1,0,1,0,0|1,0,1]=4 377 B9R1.69 CC1=CC(N)=CC=C1F SBB028220 [0,1,0,1,0,0|1,0,1]=4 378 B9R1.69 CC1=CC(O)=C(C)C=C1 SBB060426 [0,1,0,1,0,0|0,0,2]=4 379 B9R1.69 CC1=CC(O)=CC=C1Br SBB043774 [0,1,0,1,0,0|1,0,1]=4 380 B9R1.69 CC1=CC(O)=CC=C1Cl SBB060654 [0,1,0,1,0,0|1,0,1]=4 381 B9R1.69 CC1=CC=C(Br)C=C1Cl SBB055298 [0,1,0,1,0,0|1,0,1]=4 382 B9R1.69 CC1=CC=C(C)C(N)=C1 SBB040497 [0,1,0,1,0,0|1,0,1]=4 383 B9R1.69 CC1=CC=C(Cl)C=C1Cl SBB061465 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.69 CC1=CC=C(F)C=C1N SBB004266 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.69 CC1=CC=C(I)C=C1N SBB007547 [0,1,0,1,0,0|1,0,1]=4 386 B9R1.69 CC1=CC=C(N)C(C)=C1 SBB040487 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.69 CC1=CC=C(N)C=C1F SBB028219 [0,1,0,1,0,0|1,0,1]=4 388 B9R1.69 CC1=CC=C(O)C=C1C SBB060427 [0,1,0,1,0,0|1,0,1]=4 389 B9R1.69 CC1=CC=C(O)C=C1F SBB085647 [0,1,0,1,0,0|1,0,1]=4 390 B9R1.69 N1C(=O)C=CC(=O)N1C SBB004253 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.69 NC1=CC(Cl)=C(C)C=C1 SBB004152 [0,1,0,1,0,0|1,0,1]=4 392 B9R1.14 CCN1C=CN=C1C=O SBB028117 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.14 CCN1N=CC=C1C=O SBB020583 [0,1,0,1,0,0|1,0,0]=3 394 B9R1.14 COC1=C(C=O)SC=C1 SBB086238 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.14 N1C=C(CC)C(CC)=C1 SBB059631 [0,1,0,1,0,0|1,0,1]=4 396 B9R1.14 O=CC1=C(C=O)SC=C1 SBB004162 [0,1,0,1,0,0|1,0,1]=4 397 B9R1.1 BrCC1=CC=C(Br)C=C1 SBB040668 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.1 BrCC1=CC=C(I)C=C1 SBB054901 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.1 C(=O)C1=CC=C(Cl)N=C1 SBB004157 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.1 CC1=CN=C(C=O)C=C1 SBB065436 [0,1,0,1,0,0|1,0,1]=4 405 B9R1.1 CC1=NC=C(C=O)C=C1 SBB065430 [0,1,0,1,0,0|1,0,1]=4 406 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [0,1,0,1,0,0|1,0,0]=3 408 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [0,1,0,1,0,0|1,0,0]=3 410 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [0,1,0,1,0,0|1,0,0]=3 411 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [0,1,0,1,0,0|1,0,0]=3 412 B9R1.1 CNC1=CC=C(N)C=C1 SBB003597 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.1 COC1=CC=C(Br)C=C1 SBB060208 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.1 COC1=CC=C(Br)C=N1 SBB059393 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.1 COC1=CC=C(Cl)C=C1 SBB061022 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.1 COC1=CC=C(F)C=C1 SBB085645 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.1 COC1=CC=C(N)C=C1 SBB040441 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.1 COC1=CC=C(O)C=C1 SBB060425 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.1 COC1=NC=C(F)C=C1 SBB085672 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.1 COC1=NC=C(N)C=C1 SBB016584 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.1 CSC1=CC=C(F)C=C1 SBB086252 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.1 CSC1=CC=C(O)C=C1 SBB071908 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.1 ClCC1=CC=C(Cl)C=C1 SBB058606 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.1 FC1=CC=C(CBr)C=C1 SBB058857 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.1 FC1=CC=C(CCl)C=C1 SBB040604 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.1 NC1=CC=C(CO)C=C1 SBB063021 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.1 NC1=CC=C(SC)C=C1 SBB006658 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.1 NCC1=CC=C(Br)C=C1 SBB090347 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.1 NCC1=CC=C(Cl)C=C1 SBB004154 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.1 NCC1=CC=C(F)C=C1 SBB017547 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.1 NCC1=CC=C(F)C=C1 SBB028215 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.1 NCC1=CC=C(I)C=C1 SBB052373 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.1 NCC1=CC=C(N)C=C1 SBB002565 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.1 NCC1=CC=C(O)C=C1 SBB046561 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.1 O=CC1=CC=C(Br)C=C1 SBB007609 [0,1,0,1,0,0|0,0,2]=4 437 B9R1.1 O=CC1=CC=C(Cl)C=C1 SBB040227 [0,1,0,1,0,0|0,0,2]=4 438 B9R1.1 O=CC1=CC=C(F)C=C1 SBB040209 [0,1,0,1,0,0|0,0,2]=4 439 B9R1.1 O=CC1=CC=C(F)N=C1 SBB052255 [0,1,0,1,0,0|1,0,1]=4 440 B9R1.1 O=CC1=CC=C(I)C=C1 SBB062822 [0,1,0,1,0,0|0,0,2]=4 441 B9R1.1 O=CC1=CC=C(O)C=C1 SBB028743 [0,1,0,1,0,0|0,0,2]=4 442 B9R1.1 O=CC1=CC=C(O)N=C1 SBB052249 [0,1,0,1,0,0|1,0,1]=4 443 B9R1.1 O=CC1=CN=C(Br)C=C1 SBB052244 [0,1,0,1,0,0|1,0,1]=4 444 B9R1.1 O=CC1=NC=C(Br)C=C1 SBB052231 [0,1,0,1,0,0|1,0,1]=4 445 B9R1.1 O=CC1=NC=C(Cl)C=C1 SBB086215 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.1 O=CC1=NC=C(F)C=C1 SBB065526 [0,1,0,1,0,0|1,0,1]=4 447 B9R1.1 OCC1=CC=C(Br)C=C1 SBB064717 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.1 OCC1=CC=C(Cl)C=C1 SBB058581 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.1 OCC1=CC=C(F)C=C1 SBB058560 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.1 OCC1=CC=C(I)C=C1 SBB063681 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.1 OCC1=CC=C(O)C=C1 SBB059322 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.1 OCC1=NC=C(Br)C=C1 SBB065294 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.1 OCC1=NC=C(Cl)C=C1 SBB086303 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.1 SCC1=CC=C(Br)C=C1 SBB067614 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.1 [NH2+](C)C1=CC=C(O)C=C1 SBB060652 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.3 CC1=C(Br)C(F)=CC=C1 SBB090874 [0,1,0,1,0,0|1,0,1]=4 457 B9R1.3 CC1=C(Br)C(O)=CC=C1 SBB054201 [0,1,0,1,0,0|1,0,1]=4 458 B9R1.3 CC1=C(Br)C=CC=C1F SBB090875 [0,1,0,1,0,0|1,0,1]=4 459 B9R1.3 CC1=C(Cl)C=CC=C1Cl SBB061469 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.3 CC1=C(Cl)C=CC=C1F SBB086378 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.3 CC1=C(Cl)C=CC=C1N SBB007550 [0,1,0,1,0,0|1,0,1]=4 462 B9R1.3 CC1=C(F)C(Br)=CC=C1 SBB090878 [0,1,0,1,0,0|1,0,1]=4 463 B9R1.3 CC1=C(F)C(F)=CC=C1 SBB085713 [0,1,0,1,0,0|1,0,1]=4 464 B9R1.3 CC1=C(F)C(N)=CC=C1 SBB069825 [0,1,0,1,0,0|1,0,1]=4 465 B9R1.3 CC1=C(F)C(O)=CC=C1 SBB085646 [0,1,0,1,0,0|1,0,1]=4 466 B9R1.3 CC1=C(F)C=CC=C1F SBB085711 [0,1,0,1,0,0|1,0,1]=4 467 B9R1.3 CC1=C(F)C=CC=C1N SBB028216 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.3 CC1=C(I)C=CC=C1Cl SBB101150 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.3 CC1=C(N)C(Cl)=CC=C1 SBB004153 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.3 CC1=C(N)C(F)=CC=C1 SBB069823 [0,1,0,1,0,0|1,0,1]=4 471 B9R1.3 CC1=C(N)C(N)=CC=C1 SBB051691 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.3 CC1=C(N)C=CC=C1N SBB060918 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.3 CC1=C(N)C=CC=C1N SBB061338 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.3 CC1=C(O)C(O)=CC=C1 SBB055151 [0,1,0,1,0,0|0,0,2]=4 475 B9R1.3 CC1=C(O)C=CC=C1O SBB056752 [0,1,0,1,0,0|0,0,2]=4 476 B9R1.3 CC1=CC=CC(C)=C1C SBB061131 [0,1,0,1,0,0|1,0,1]=4 477 B9R1.3 CC1=CC=CC(C)=C1F SBB085567 [0,1,0,1,0,0|1,0,1]=4 478 B9R1.3 CC1=CC=CC(C)=C1I SBB097862 [0,1,0,1,0,0|1,0,1]=4 479 B9R1.3 CC1=CC=CC(C)=C1N SBB008136 [0,1,0,1,0,0|1,0,1]=4 480 B9R1.3 CC1=CC=CC(C)=C1O SBB060658 [0,1,0,1,0,0|0,0,2]=4 481 B9R1.3 CC1=CC=CC(Cl)=C1Cl SBB061475 [0,1,0,1,0,0|1,0,1]=4 482 B9R1.3 CC1=CC=CC(Cl)=C1F SBB086373 [0,1,0,1,0,0|1,0,1]=4 483 B9R1.3 CC1=CC=CC(Cl)=C1I SBB101149 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.3 CC1=CC=CC(F)=C1C SBB085561 [0,1,0,1,0,0|1,0,1]=4 485 B9R1.3 CC1=CC=CC(N)=C1C SBB040449 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.3 CC1=CC=CC(O)=C1C SBB060656 [0,1,0,1,0,0|0,0,2]=4 487 B9R1.3 CC1=CC=CC(O)=C1N SBB069796 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.3 CN1C(=O)C=CNC1=O SBB004255 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.11 CCC(=O)C1=CC=CS1 SBB028613 [0,1,0,1,0,0|0,1,0]=3 490 B9R1.11 CCC(=O)C1=NC=CS1 SBB109622 [0,1,0,1,0,0|1,1,0]=4 491 B9R1.11 CCC(N)C1=CC=CS1 SBB018551 [0,1,0,1,0,0|0,1,1]=4 492 B9R1.11 CNC(=O)C1=CC=CS1 SBB086206 [0,1,0,1,0,0|1,1,0]=4 493 B9R1.11 COC(=O)C1=CC=CN1 SBB013762 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.11 COC(=O)C1=CC=CO1 SBB059585 [0,1,0,1,0,0|1,0,1]=4 495 B9R1.11 COC(=O)C1=CC=CS1 SBB058305 [0,1,0,1,0,0|1,1,0]=4 496 B9R1.11 O=C(CBr)C1=CC=CO1 SBB010227 [0,1,0,1,0,0|1,0,1]=4 497 B9R1.11 O=C(CBr)C1=CC=CS1 SBB005904 [0,1,0,1,0,0|1,1,0]=4 498 B9R1.11 O=C(CCl)C1=CC=CS1 SBB051673 [0,1,0,1,0,0|1,1,0]=4 499 B9R1.11 O=CC(=O)C1=CC=CS1 SBB076918 [0,1,0,1,0,0|1,0,1]=4 500 B9R1.21 C(=O)C1=CC(CC)=NO1 SBB073356 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004259 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004260 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.21 C(=O)C1=CN(CC)N=C1 SBB000003 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.21 CCC1=CC=C(C=O)O1 SBB010056 [0,1,0,1,0,0|0,0,0]=2 505 B9R1.21 CCC1=CC=C(C=O)S1 SBB028644 [0,1,0,1,0,0|0,0,0]=2 506 B9R1.21 CCN1C=CC(C=O)=N1 SBB017363 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.21 CSC1=CC=C(C=O)S1 SBB087319 [0,1,0,1,0,0|1,0,0]=3 508 B9R1.21 O=CC1=CC(CCl)=CS1 SBB002904 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.21 O=CC1=CC=C(C=O)S1 SBB000080 [0,1,0,1,0,0|1,0,1]=4 510 B9R1.132 CC1=CN=C(C=O)N1C SBB073494 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.132 CC1=NC=C(C=O)N1C SBB046710 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [0,1,0,1,0,0|1,0,1]=4 513 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [0,1,0,1,0,0|0,0,2]=4 514 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [0,1,0,1,0,0|1,0,1]=4 515 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [0,1,0,1,0,0|1,0,1]=4 516 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.6 CC(N)C1=CC=NC=C1 SBB007016 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [0,1,0,1,0,0|1,0,0]=3 523 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.6 CN(N)C1=CC=CC=C1 SBB060814 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.6 C[C@@H](O)C1=CC=NC=C1 SBB065458 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.6 NC(=O)C1=CC=CC=C1 SBB058198 [0,1,0,1,0,0|0,0,2]=4 529 B9R1.6 NC(=O)C1=CC=CC=N1 SBB008128 [0,1,0,1,0,0|1,0,1]=4 530 B9R1.6 NC(=O)C1=CC=CN=C1 SBB004283 [0,1,0,1,0,0|1,0,1]=4 531 B9R1.6 NC(=O)C1=CC=CN=C1 SBB055585 [0,1,0,1,0,0|1,0,1]=4 532 B9R1.6 NC(=O)C1CC=CCC1 SBB056263 [0,1,0,1,0,0|0,0,2]=4 533 B9R1.6 O=C(Cl)C1=CC=CC=C1 SBB059783 [0,1,0,1,0,0|0,0,2]=4 534 B9R1.6 O=C(Cl)C1=CC=CN=C1 SBB005806 [0,1,0,1,0,0|1,0,1]=4 535 B9R1.6 O=C(Cl)C1=NC=CC=C1 SBB053631 [0,1,0,1,0,0|1,0,1]=4 536 B9R1.6 O=C(Cl)C1CC=CCC1 SBB053674 [0,1,0,1,0,0|0,0,2]=4 537 B9R1.6 O=C(F)C1=CC=CC=C1 SBB085547 [0,1,0,1,0,0|0,0,2]=4 538 B9R1.6 O=C(O)C1=CC=CC=C1 SBB040515 [0,1,0,1,0,0|0,0,2]=4 539 B9R1.6 O=C(O)C1=CC=CN=C1 SBB004279 [0,1,0,1,0,0|1,0,1]=4 540 B9R1.6 O=C(O)C1=CC=CN=N1 SBB053230 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.6 O=C(O)C1=NC=CC=C1 SBB004277 [0,1,0,1,0,0|1,0,1]=4 542 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,1,0,1,0,0|0,0,2]=4 543 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [0,1,0,1,0,0|0,0,2]=4 544 B9R1.13 CC(N)CC1=CC=CO1 SBB010238 [0,1,0,1,0,0|0,0,2]=4 545 B9R1.13 CC(N)CC1=CC=CS1 SBB010287 [0,1,0,1,0,0|0,1,1]=4 546 B9R1.41 CC(=O)C1=C(C)C=CS1 SBB066531 [0,1,0,1,0,0|1,0,1]=4 547 B9R1.41 CC(=O)C1=CC=CN1C SBB067044 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.41 CC(=O)C1=CC=NN1C SBB021678 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.41 CC1=C(C(=O)Cl)C=CO1 SBB086364 [0,1,0,1,0,0|1,0,1]=4 550 B9R1.41 CC1=C(C(=O)Cl)SC=C1 SBB067938 [0,1,0,1,0,0|1,0,1]=4 551 B9R1.41 CC1=C(C(=O)O)C=CO1 SBB004258 [0,1,0,1,0,0|1,0,1]=4 552 B9R1.41 CC1=C(C(=O)O)C=CS1 SBB053075 [0,1,0,1,0,0|1,0,1]=4 553 B9R1.41 CC1=C(C(=O)O)OC=C1 SBB004257 [0,1,0,1,0,0|1,0,1]=4 554 B9R1.41 CC1=C(C(=O)O)SC=C1 SBB086237 [0,1,0,1,0,0|1,0,1]=4 555 B9R1.41 CN1C=CC=C1C(=O)Cl SBB086304 [0,1,0,1,0,0|1,0,0]=3 556 B9R1.41 CN1C=CC=C1C(=O)O SBB004270 [0,1,0,1,0,0|1,0,0]=3 557 B9R1.41 CN1C=CN=C1C(=O)O SBB085637 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.41 CN1C=NC=C1C(=O)O SBB053206 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.41 CN1N=CC=C1C(=O)Cl SBB009261 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.41 CN1N=CC=C1C(=O)O SBB000007 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.41 CN1N=CC=C1C(N)=O SBB022188 [0,1,0,1,0,0|2,0,0]=4 562 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O SBB056352 [0,0,0,2,0,0|1,0,1]=4