0 B12R1.121 COC1=C(CCCBr)C=CC=C1 SBB302485 [0,0,0,0,0,0|1,0,3]=4 1 B12R1.121 COC1=C(OCCBr)C=CC=C1 SBB008602 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.121 COC1=C(OCCN)C=CC=C1 SBB093198 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.121 COC1=C(OCCO)C=CC=C1 SBB056548 [0,0,0,0,0,0|1,0,3]=4 4 B12R1.121 COC1=CC=CC=C1OCC#N SBB055161 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.121 COC1=CC=CC=C1OCCN SBB024035 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.121 COC1=CC=CC=C1\C=C\C=O SBB040240 [0,0,0,0,0,0|0,0,0]=0 7 B11R1.17 C=CCOC1=C(C)C=CC=C1 SBB008365 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.41 CCC1=CC=CC=C1N=C=O SBB046955 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.41 CCNC1=C(OC)C=CC=C1 SBB080368 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.41 COC1=C(\C=N\O)C=CC=C1 SBB008011 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.41 COC1=CC=CC=C1CC#N SBB065125 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.41 COC1=CC=CC=C1CC=O SBB052207 [1,0,0,0,0,0|0,0,1]=2 13 B11R1.41 COC1=CC=CC=C1CCBr SBB027259 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.41 COC1=CC=CC=C1N=C=O SBB048855 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.41 COC1=CC=CC=C1N=C=S SBB002730 [1,0,0,0,0,0|1,1,1]=4 16 B13R1.90 COC1=C(\C=C\C(=O)O)C=CC=C1 SBB043620 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.90 COC1=CC=CC=C1OCC(=N)N SBB010655 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.90 COC1=CC=CC=C1OCC(=O)Cl SBB300371 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.90 COC1=CC=CC=C1OCC(=O)O SBB005726 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.90 COC1=CC=CC=C1OCC(N)=O SBB089780 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.90 COC1=CC=CC=C1\C=C\[N+](=O)[O-] SBB042689 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.90 N#CC1=C(\C=C\C(=O)O)C=CC=C1 SBB083999 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.90 OC(=O)CCC1=C(OC)C=CC=C1 SBB003749 [0,1,0,0,0,0|0,0,2]=3 24 B13R1.91 COC1=C(NC(=O)CBr)C=CC=C1 SBB050431 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.91 COC1=CC=CC=C1NC(=O)CCl SBB004505 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.91 COC1=CC=CC=C1NC(=S)NN SBB017752 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.464 CCOC(=O)C1=C(OC)C=CC=C1 SBB064138 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.572 O=C\C=C\C1=C([N+](=O)[O-])C=CC=C1 SBB040271 [0,1,0,0,0,0|2,0,0]=3 29 B13R2.32 CN1C(=O)C=CC2=C1C=CC=C2 SBB087359 [0,0,0,1,0,0|1,0,0]=2 30 B13R2.32 CN1C(=O)COC2=CC=CC=C21 SBB056034 [0,0,0,1,0,0|2,0,1]=4 31 B13R2.32 NC1=C(O)C=CC2=C1C=CC=C2 SBB000347 [0,0,0,1,0,0|2,0,1]=4 32 B13R2.32 NC1=C2C=CC=CC2=CC=C1O SBB013739 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O SBB069545 [0,0,0,1,0,0|2,0,0]=3 34 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 SBB080000 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 SBB054689 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.45 C(=O)C1=NC2=C(C=CC=C2)N1C SBB010051 [0,0,0,1,0,0|2,0,0]=3 37 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 SBB010412 [0,0,0,1,0,0|2,0,0]=3 38 B13R2.45 CC1=C(C=O)OC2=CC=CC=C21 SBB111463 [0,0,0,1,0,0|2,0,0]=3 39 B13R2.45 CC1=C(C=O)SC2=CC=CC=C21 SBB089184 [0,0,0,1,0,0|2,0,0]=3 40 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)N1 SBB004425 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 SBB072434 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.57 C(=O)C1=CC2=C(C=CC=C2)C=C1 SBB058891 [0,0,0,1,0,0|1,0,1]=3 43 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 SBB066349 [0,0,0,1,0,0|2,0,0]=3 44 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 SBB041647 [0,0,0,1,0,0|1,0,1]=3 45 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 SBB010136 [0,0,0,1,0,0|0,0,0]=1 46 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 SBB017941 [0,0,0,1,0,0|2,0,1]=4 47 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 SBB019424 [0,0,0,1,0,0|2,0,1]=4 48 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 SBB004007 [0,0,0,1,0,0|2,0,1]=4 49 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 SBB009167 [0,0,0,1,0,0|2,0,1]=4 50 B13R2.1613 CCC1=C2C=CC=CC2=CC=C1 SBB061448 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.1613 COC1=C2C=CC=CC2=CC=C1 SBB057507 [0,0,0,1,0,0|1,0,0]=2 52 B13R2.1613 ClCC1=CC=CC2=C1C=CC=C2 SBB040680 [0,0,0,1,0,0|3,0,0]=4 53 B13R2.1613 N#CC1=CC=CC2=C1C=CC=C2 SBB058903 [0,0,0,1,0,0|3,0,0]=4 54 B13R2.1613 NCC1=C2C=CC=CC2=CC=C1 SBB028328 [0,0,0,1,0,0|3,0,0]=4 55 B13R2.1613 NCC1=CC=CC2=C1C=CC=N2 SBB025620 [0,0,0,1,0,0|3,0,0]=4 56 B13R2.1613 NNC1=CC=CC2=C1C=CC=N2 SBB013763 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.1613 O=CC1=C2C=CC=NC2=CC=C1 SBB027271 [0,0,0,1,0,0|3,0,0]=4 58 B13R2.1613 O=CC1=CC=CC2=C1C=CC=C2 SBB040200 [0,0,0,1,0,0|3,0,0]=4 59 B13R2.1613 OCC1=CC=CC2=C1C=CC=C2 SBB067167 [0,0,0,1,0,0|3,0,0]=4 60 B10R1.4 C(=O)NC1=CC=CC=C1Cl SBB004025 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.4 C=CCC1=CC=CC=C1O SBB044905 [2,0,0,0,0,0|0,0,1]=3 62 B10R1.4 C\C=C\C1=C(O)C=CC=C1 SBB071429 [2,0,0,0,0,0|0,0,1]=3 63 B10R1.4 O\N=C\C1=CC=CC=C1O SBB080181 [2,0,0,0,0,0|1,0,1]=4 64 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [2,0,0,0,0,0|0,0,2]=4 65 B10R1.17 C(=O)NNC1=CC=CC=C1 SBB008261 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.17 ClC\C=C\C1=CC=CC=C1 SBB040602 [2,0,0,0,0,0|1,0,1]=4 67 B10R1.17 N#C\C=C\C1=CC=CC=C1 SBB060940 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [2,0,0,0,0,0|0,0,0]=2 70 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [2,0,0,0,0,0|0,0,2]=4 71 B10R1.20 C(=O)C1=C(C#N)C=CC=C1 SBB059365 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.20 C(=O)C1=C(C=O)C=CC=C1 SBB008450 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.20 CCC1=CC=CC=C1C=O SBB064652 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.20 CNC1=C(C=O)C=CC=N1 SBB010268 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.20 COC1=C(NN)C=CC=C1 SBB001582 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.20 COC1=C(OC)C=CC=C1 SBB060065 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.20 COC1=C(SC)C=CC=C1 SBB058991 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.20 COC1=CC=CC=C1C#N SBB063016 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.20 COC1=CC=CC=C1C=O SBB040234 [2,0,0,0,0,0|0,0,0]=2 80 B10R1.20 COC1=CC=CC=C1CCl SBB058821 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.20 COC1=CC=CC=C1CN SBB040466 [2,0,0,0,0,0|1,0,1]=4 82 B10R1.20 COC1=CC=CC=C1CO SBB041053 [2,0,0,0,0,0|0,0,2]=4 83 B10R1.20 COC1=CC=CC=C1NN SBB064481 [2,0,0,0,0,0|2,0,0]=4 84 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 SBB087612 [1,1,0,0,0,0|0,0,0]=2 85 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 SBB004532 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.125 CC1=CC=CC=C1CCC(=O)O SBB067749 [1,1,0,0,0,0|0,0,2]=4 87 B12R1.125 CC1=CC=CC=C1NCC(=O)O SBB016671 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O SBB003946 [1,1,0,0,0,0|0,0,0]=2 89 B12R1.125 O=C(O)CCC1=CC=CC=C1O SBB063739 [1,1,0,0,0,0|0,0,2]=4 90 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 SBB080750 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 SBB015306 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 SBB061928 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 SBB065726 [1,1,0,0,0,0|0,0,0]=2 94 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br SBB050858 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.125 O=[N+]([O-])\C=C/C1=C(F)C=CC=C1 SBB088053 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.75 CCC1=C(NC(C)=O)C=CC=C1 SBB058947 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.75 CCC1=C(NC(N)=O)C=CC=C1 SBB087812 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.75 COC1=C(NC(N)=S)C=CC=C1 SBB055318 [1,1,0,0,0,0|1,1,0]=4 99 B12R1.75 COC1=CC=CC=C1CC(=O)O SBB063364 [1,1,0,0,0,0|0,0,1]=3 100 B12R1.75 COC1=CC=CC=C1CC(N)=S SBB089825 [1,1,0,0,0,0|0,1,1]=4 101 B12R1.75 COC1=CC=CC=C1NC(N)=O SBB087990 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.77 CCC(=O)C1=CC=CC=C1OC SBB019455 [1,1,0,0,0,0|0,0,2]=4 103 B12R1.77 COC(=O)C1=CC=CC=C1OC SBB061390 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 SBB040611 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.77 COC1=C(C(=O)NN)C=CC=C1 SBB017611 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.77 COC1=CC=CC=C1\C(N)=N/O SBB076113 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.169 CCOC1=CC=CC=C1N=C=O SBB048854 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.169 CCOC1=CC=CC=C1\C=N\O SBB029656 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.268 COC1=C(N=C=O)C=C(Cl)C=C1 SBB046958 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.268 COC1=CC=C(Br)C=C1\C=N\O SBB029702 [1,1,0,0,0,0|1,0,1]=4 111 B14R1.1600 COC1=C(OCC(N)=O)C=CC(N)=C1 SBB018494 [0,2,0,0,0,0|1,0,1]=4 112 B14R1.1600 COC1=CC(C)=CC=C1OCC(=O)O SBB085296 [0,2,0,0,0,0|1,0,1]=4 113 B14R1.96 COC1=CC=CC=C1CCCC(=O)O SBB303071 [0,2,0,0,0,0|0,0,2]=4 114 B14R1.96 COC1=CC=CC=C1CCNC(N)=O SBB091765 [0,2,0,0,0,0|0,0,2]=4 115 B14R1.96 COC1=CC=CC=C1\C=N\NC(N)=O SBB029655 [0,2,0,0,0,0|1,0,0]=3 116 B14R1.96 COC1=CC=CC=C1\C=N\NC(N)=S SBB000486 [0,2,0,0,0,0|1,1,0]=4 117 B14R1.863 COC1=CC=CC=C1NCC(=O)NN SBB111850 [0,2,0,0,0,0|1,0,1]=4 118 B14R1.863 COC1=CC=CC=C1OCC(=O)NN SBB000352 [0,2,0,0,0,0|1,0,1]=4 119 B14R1.965 COC1=C(NC(=O)\C=N\O)C=CC=C1 SBB108755 [0,2,0,0,0,0|1,0,1]=4 120 B14R1.118 COC1=C(CCC(=O)O)C=CC=C1F SBB092283 [0,2,0,0,0,0|0,0,2]=4 121 B14R1.118 COC1=C(F)C=CC=C1\C=C\C(=O)O SBB091977 [0,2,0,0,0,0|0,0,0]=2 122 B14R1.482 CCOC1=C(CCC(=O)O)C=CC=C1 SBB017732 [0,2,0,0,0,0|0,0,2]=4 123 B14R1.482 CCOC1=C(\C=C\C(=O)O)C=CC=C1 SBB057996 [0,2,0,0,0,0|0,0,0]=2 124 B14R1.482 CCOC1=CC=CC=C1OCC(=O)O SBB043412 [0,2,0,0,0,0|1,0,1]=4 125 B14R1.1865 C(C(=O)O)=CC1=C(OC)C=CC(Br)=C1 SBB003100 [0,2,0,0,0,0|0,0,0]=2 126 B14R1.1865 COC1=CC=C(Br)C=C1\C=C\C(=O)Cl SBB029932 [0,2,0,0,0,0|0,0,0]=2 127 B14R1.3135 CCC1=C(NC(=O)C(=O)O)C=CC=C1 SBB049959 [0,2,0,0,0,0|2,0,0]=4 128 B14R1.3135 COC1=CC=CC=C1OC(C)C(=O)O SBB009236 [0,2,0,0,0,0|1,0,1]=4 129 B14R1.4522 O=C(Cl)\C=C\C1=CC=CC=C1[N+](=O)[O-] SBB051382 [0,2,0,0,0,0|2,0,0]=4 130 B14R1.4522 O=C(O)\C=C\C1=C(C(=O)O)C=CC=C1 SBB068845 [0,2,0,0,0,0|2,0,0]=4 131 B14R1.4522 O=C(O)\C=C\C1=C([N+](=O)[O-])C=CC=C1 SBB028517 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.450 COC1=C(O)C=C(C=O)C(Br)=C1 SBB063307 [0,0,1,1,0,0|2,0,0]=4 133 B12R1.450 COC1=CC(F)=C(C=O)C=C1F SBB088593 [0,0,1,1,0,0|2,0,0]=4 134 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 SBB040221 [0,0,1,1,0,0|1,0,1]=4 135 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 SBB093967 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.24 CC1=CC=C2C=CC=CC2=C1 SBB060085 [1,0,0,1,0,0|1,0,1]=4 137 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 SBB008939 [1,0,0,1,0,0|2,0,0]=4 138 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 SBB056975 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.24 FC1=CC2=C(C=CC=C2)C=C1 SBB086491 [1,0,0,1,0,0|1,0,1]=4 140 B12R2.24 NC1=CC=C2C=CC=CC2=C1 SBB057506 [1,0,0,1,0,0|1,0,1]=4 141 B12R2.24 NC1=NC2=CC=CC=C2C=C1 SBB051994 [1,0,0,1,0,0|2,0,0]=4 142 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 SBB000094 [1,0,0,1,0,0|0,0,0]=2 143 B12R2.24 O=C1C=CC2=CC=CC=C2N1 SBB004119 [1,0,0,1,0,0|1,0,0]=3 144 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SBB068599 [1,0,0,1,0,0|1,0,1]=4 145 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 SBB058834 [1,0,0,1,0,0|0,0,2]=4 146 B12R2.24 OC1=CC2=CC=CC=C2C=C1 SBB040896 [1,0,0,1,0,0|0,0,2]=4 147 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 SBB059269 [1,0,0,1,0,0|0,1,1]=4 148 B12R2.32 NCC1=CC2=CC=CC=C2O1 SBB072101 [1,0,0,1,0,0|1,0,1]=4 149 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 SBB010059 [1,0,0,1,0,0|0,0,0]=2 150 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 SBB068480 [1,0,0,1,0,0|0,1,0]=3 151 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 SBB069699 [1,0,0,1,0,0|2,0,0]=4 152 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 SBB069689 [1,0,0,1,0,0|2,0,0]=4 153 B12R2.32 O=CC1=CC2=CC=CC=C2N1 SBB027648 [1,0,0,1,0,0|1,0,0]=3 154 B12R2.32 O=CC1=CC2=CC=CN=C2N1 SBB069694 [1,0,0,1,0,0|2,0,0]=4 155 B12R2.32 O=CC1=CC2=CC=NC=C2S1 SBB110472 [1,0,0,1,0,0|1,1,0]=4 156 B12R2.32 O=CC1=CC2=CN=CC=C2S1 SBB110460 [1,0,0,1,0,0|1,1,0]=4 157 B12R2.32 O=CC1=CC2=NC=CC=C2N1 SBB069680 [1,0,0,1,0,0|2,0,0]=4 158 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 SBB000095 [1,0,0,1,0,0|2,0,0]=4 159 B12R2.32 O=CC1=NC2=CC=CC=C2S1 SBB052327 [1,0,0,1,0,0|1,1,0]=4 160 B12R2.196 O=C1CCC2=C1C=CC=C2O SBB067319 [1,0,0,1,0,0|0,0,2]=4 161 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 SBB060210 [1,0,0,1,0,0|2,0,0]=4 162 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 SBB093965 [1,0,0,1,0,0|2,0,0]=4 163 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 SBB060401 [1,0,0,1,0,0|1,0,0]=3 164 B12R2.1081 CC1=C2N=CC=NC2=CC=C1 SBB056024 [1,0,0,1,0,0|2,0,0]=4 165 B12R2.1081 CC1=CC=CC2=CC=CN=C12 SBB080579 [1,0,0,1,0,0|2,0,0]=4 166 B12R2.1081 CC1=CC=CC2=NC=CC=C12 SBB059687 [1,0,0,1,0,0|1,0,0]=3 167 B12R2.1081 CC1=CC=NC2=C1C=CC=C2 SBB058784 [1,0,0,1,0,0|2,0,0]=4 168 B12R2.1081 CC1=NC=CC2=CC=CC=C21 SBB056020 [1,0,0,1,0,0|2,0,0]=4 169 B12R2.1081 C[N+]1=C2C=CC=CC2=CC=C1 SBB061147 [1,0,0,1,0,0|2,0,0]=4 170 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 SBB060227 [1,0,0,1,0,0|2,0,0]=4 171 B12R2.1081 FC1=CC=CC2=C1C=CC=C2 SBB086490 [1,0,0,1,0,0|2,0,0]=4 172 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 SBB040451 [1,0,0,1,0,0|2,0,0]=4 173 B12R2.1081 NC1=CC=CC2=C1C=CC=N2 SBB010065 [1,0,0,1,0,0|2,0,0]=4 174 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 SBB009097 [1,0,0,1,0,0|2,0,0]=4 175 B12R2.1081 OC1=CC=CC2=C1C=CC=N2 SBB004118 [1,0,0,1,0,0|1,0,0]=3 176 B12R2.1081 OC1=CC=CC2=C1C=NC=C2 SBB086406 [1,0,0,1,0,0|2,0,0]=4 177 B12R2.1081 OC1=CC=CC2=CC=CC=C12 SBB040845 [1,0,0,1,0,0|1,0,0]=3 178 B12R2.1081 OC1=CC=NC2=C1C=CC=C2 SBB086405 [1,0,0,1,0,0|2,0,0]=4 179 B12R2.1081 OC1=NC=CC2=CC=CC=C21 SBB004122 [1,0,0,1,0,0|2,0,0]=4 180 B12R2.1 C(=O)C1=CNC2=C1C=CC=C2 SBB004120 [1,0,0,1,0,0|1,0,1]=4 181 B12R2.1 O=CC1=CSC2=CC=CC=C12 SBB052322 [1,0,0,1,0,0|0,1,1]=4 182 B12R2.18 CN1C(=O)CC2=CC=CC=C21 SBB006878 [1,0,0,1,0,0|1,0,1]=4 183 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 SBB017054 [1,0,0,1,0,0|2,0,0]=4 184 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 SBB071442 [1,0,0,1,0,0|2,0,0]=4 185 B12R2.315 CCC1=C2NC=CC2=CC=C1 SBB007573 [1,0,0,1,0,0|2,0,0]=4 186 B12R2.315 COC1=C2C=CNC2=CC=C1 SBB055969 [1,0,0,1,0,0|1,0,0]=3 187 B12R2.315 COC1=C2NC=CC2=CC=C1 SBB055971 [1,0,0,1,0,0|1,0,0]=3 188 B12R2.315 COC1=C2NC=CC2=CC=N1 SBB056382 [1,0,0,1,0,0|2,0,0]=4 189 B14R2.1060 CC1=C(C=O)NC2=CC=C(F)C=C21 SBB301858 [0,1,0,1,0,0|2,0,0]=4 190 B14R2.1060 CC1=CC=C2NC(C=O)=C(C)C2=C1 SBB301690 [0,1,0,1,0,0|2,0,0]=4 191 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 SBB052354 [0,1,0,1,0,0|1,0,1]=4 192 B14R2.92 O=CC1=C(Cl)C2=CC=CC=C2CC1 SBB091507 [0,1,0,1,0,0|1,0,0]=3 193 B14R2.92 O=CC1=COC2=C(C=CC=C2)C1=O SBB032967 [0,1,0,1,0,0|0,0,1]=3 194 B14R2.92 O=NC1=CC=C2C=CC=CC2=C1O SBB056835 [0,1,0,1,0,0|2,0,0]=4 195 B14R2.1072 CCC1=CC=CC2=C1NC=C2C=O SBB027619 [0,1,0,1,0,0|1,0,0]=3 196 B14R2.1072 COC1=CC=CC2=C1NC=C2C=O SBB005313 [0,1,0,1,0,0|0,0,0]=2 197 B14R2.1078 COC1=C2N=CC=C(N)C2=CC=C1 SBB018763 [0,1,0,1,0,0|1,0,0]=3 198 B14R2.1078 COC1=C2NC=CC(=O)C2=CC=C1 SBB027213 [0,1,0,1,0,0|0,0,0]=2 199 B14R2.1078 COC1=CC=CC2=C1CCCC2=O SBB066974 [0,1,0,1,0,0|0,0,2]=4 200 B14R2.2 CC(=O)NC1=COC2=C1C=CC=C2 SBB015058 [0,1,0,1,0,0|1,0,1]=4 201 B14R2.2 CC(=O)OC1=COC2=CC=CC=C21 SBB116887 [0,1,0,1,0,0|1,0,1]=4 202 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 SBB053422 [0,1,0,1,0,0|1,0,1]=4 203 B14R2.450 CC(=O)C1=C(C)C2=C(C=CC=C2)S1 SBB091160 [0,1,0,1,0,0|2,0,0]=4 204 B14R2.450 CC(=O)C1=NC2=CC=CC=C2N1C SBB082195 [0,1,0,1,0,0|2,0,0]=4 205 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 SBB068350 [0,1,0,1,0,0|1,0,1]=4 206 B14R2.450 CC1=C(C(=O)O)SC2=C1C=CC=C2 SBB037955 [0,1,0,1,0,0|2,0,0]=4 207 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 SBB049025 [0,1,0,1,0,0|1,0,0]=3 208 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O SBB111411 [0,1,0,1,0,0|2,0,0]=4 209 B14R2.450 OC(=O)C1=C(C)C2=CC=CC=C2O1 SBB003779 [0,1,0,1,0,0|2,0,0]=4 210 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)C=C1 SBB040253 [0,1,0,1,0,0|1,0,1]=4 211 B14R2.781 O=C(Cl)C1=CC2=CC=CC=C2N=C1 SBB053664 [0,1,0,1,0,0|1,0,1]=4 212 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 SBB058791 [0,1,0,1,0,0|1,0,1]=4 213 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=N1 SBB003636 [0,1,0,1,0,0|2,0,0]=4 214 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)N=C1 SBB028485 [0,1,0,1,0,0|1,0,1]=4 215 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 SBB010135 [0,1,0,1,0,0|0,0,0]=2 216 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 SBB066321 [0,1,0,1,0,0|2,0,0]=4 217 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 SBB053502 [0,1,0,1,0,0|0,0,2]=4 218 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 SBB000213 [0,1,0,1,0,0|1,0,1]=4 219 B14R2.1073 COC1=C2CCC(=O)CC2=CC=C1 SBB056288 [0,1,0,1,0,0|0,0,2]=4 220 B14R2.1073 COC1=CC=NC2=CC(Cl)=CC=C21 SBB006387 [0,1,0,1,0,0|2,0,0]=4 221 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 SBB017865 [0,1,0,1,0,0|2,0,0]=4 222 B14R2.11645 CCC1=C2NC(=O)C(=O)C2=CC=C1 SBB108802 [0,1,0,1,0,0|2,0,0]=4 223 B14R2.7150 BrCCC1=CC=CC2=C1C=CC=C2 SBB008158 [0,1,0,1,0,0|2,0,0]=4 224 B14R2.7150 CCNC1=CC=CC2=CC=CC=C21 SBB072179 [0,1,0,1,0,0|2,0,0]=4 225 B14R2.7150 CCOC1=C2C=CC=CC2=CC=C1 SBB058064 [0,1,0,1,0,0|1,0,0]=3 226 B14R2.7150 CNCC1=CC=CC2=C1C=CC=N2 SBB025619 [0,1,0,1,0,0|2,0,0]=4 227 B14R2.7150 NCCC1=CC=CC2=CC=CC=C21 SBB019200 [0,1,0,1,0,0|2,0,0]=4 228 B14R2.7150 OCCC1=CC=CC2=C1C=CC=C2 SBB088674 [0,1,0,1,0,0|2,0,0]=4 229 B14R2.7724 CN1C(=O)C=C(Cl)C2=C1C=CC=C2 SBB040139 [0,1,0,1,0,0|1,0,0]=3 230 B14R2.7724 CN1C(=O)CC(=O)C2=C1C=CC=C2 SBB039832 [0,1,0,1,0,0|1,0,1]=4 231 B14R2.7724 CN1C(=O)NC(=O)C2=CC=CC=C21 SBB072489 [0,1,0,1,0,0|2,0,0]=4 232 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 SBB000196 [0,1,0,1,0,0|2,0,0]=4 233 B14R2.1128 CC1=NC2=CC=CC=C2N=C1C=O SBB050325 [0,1,0,1,0,0|2,0,0]=4 234 B14R2.1128 CC1OC2=CC=CC=C2C=C1C=O SBB076264 [0,1,0,1,0,0|0,0,0]=2 235 B14R2.1128 O=CC1=CC2=C(C=CC=C2)N=C1Cl SBB000302 [0,1,0,1,0,0|1,0,1]=4 236 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O SBB005056 [0,1,0,1,0,0|1,0,1]=4 237 B14R2.1129 CCN1C(C=O)=NC2=C1C=CC=C2 SBB010565 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.134 CC1=CC=C2C=CC(C=O)=CC2=C1 SBB088422 [0,1,0,1,0,0|1,0,1]=4 239 B14R2.134 O=CC1=CC2=CC(Cl)=CC=C2OC1 SBB010922 [0,1,0,1,0,0|0,0,0]=2 240 B14R2.1095 CC1=CC=C2C(=C1)OC(C=O)=C2C SBB017975 [0,1,0,1,0,0|2,0,0]=4 241 B14R2.1131 COC1=C2C=CC=CC2=C(O)C=C1 SBB061646 [0,1,0,1,0,0|1,0,0]=3 242 B14R2.1131 COC1=CC=C(N)C2=CC=CN=C12 SBB077711 [0,1,0,1,0,0|2,0,0]=4 243 B14R2.29369 O=C1C=CC2=C(C=CC(Br)=C2)C1=O SBB080583 [0,1,0,1,0,0|2,0,0]=4 244 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 SBB060390 [0,1,0,1,0,0|2,0,0]=4 245 B14R2.31359 CC(=O)C1=CC=CC2=C1C=CC=C2 SBB040260 [0,1,0,1,0,0|2,0,0]=4 246 B14R2.31359 CC(O)C1=C2C=CC=CC2=CC=C1 SBB067060 [0,1,0,1,0,0|2,0,0]=4 247 B14R2.31359 C[C@@H](N)C1=CC=CC2=C1C=CC=C2 SBB006731 [0,1,0,1,0,0|2,0,0]=4 248 B14R2.2151 C(=O)C1=C(C)C2=CC=CC(C)=C2N1 SBB048904 [0,1,0,1,0,0|2,0,0]=4 249 B14R3.164 C1=CC2=CC=CC3=C2C(=C1)CC3 SBB060402 [0,0,0,2,0,0|2,0,0]=4