0 B13R2.369 CC1=C(C)C=C2C=CC=CC2=C1 SBB060955 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1=C(S)N=C2C=CC=CC2=N1 SBB057450 [0,0,0,0,0,0|3,1,0]=4 2 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl SBB041011 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 CC1=CC2=NC=CC=C2N=C1N SBB045940 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl SBB010632 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.369 CC1NC2=CC=CC=C2NC1=O SBB056026 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O SBB057720 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.369 ClC1=NC2=C(C=CC=C2)N=C1Cl SBB003555 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.369 N=C1NC2=C(C=CC=C2)NC1=O SBB018775 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 NC1=C(O)C=C2C=CC=CC2=C1 SBB056891 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N SBB000127 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O SBB028346 [0,0,0,0,0,0|1,0,0]=1 12 B13R2.369 NC1=NC2=CC=CC=C2N=C1N SBB038023 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.369 NC1CC2=CC=CC=C2NC1=O SBB050350 [0,0,0,0,0,0|2,0,2]=4 14 B13R2.369 O=C1NC2=CC=CC=C2OC1=O SBB108834 [0,0,0,0,0,0|1,0,1]=2 15 B13R2.369 O=C1NC2=CC=CN=C2NC1=O SBB087674 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.369 O=C1OC2=CC=CC=C2C=C1O SBB056328 [0,0,0,0,0,0|0,0,0]=0 17 B13R2.369 OC1=C(C)N=C2C=CC=CC2=N1 SBB003967 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.369 OC1=CC2=C(C=CC=C2)C=C1O SBB059330 [0,0,0,0,0,0|1,0,1]=2 19 B13R2.369 OC1=NC2=C(C=CC=C2)N=C1O SBB000138 [0,0,0,0,0,0|2,0,1]=3 20 B13R2.369 SC1=NC2=CC=CC=C2N=C1S SBB017120 [0,0,0,0,0,0|2,2,0]=4 21 B12R2.24 BrC1=CC2=C(C=C1)N=CC=C2 SBB001559 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 SBB059386 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 SBB093967 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 SBB054600 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 SBB093966 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 SBB059125 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 SBB059301 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 CC1=CC=C2C=CC=CC2=C1 SBB060085 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 SBB008939 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 CC1=NC2=NC=CC=C2C=C1 SBB042157 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 SBB086356 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 SBB056975 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 SBB054606 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 SBB081928 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 SBB086530 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.24 FC1=CC2=C(C=CC=C2)C=C1 SBB086491 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.24 IC1=CC=C2N=CC=CC2=C1 SBB054593 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 NC1=CC2=C(C=C1)N=CC=C2 SBB008124 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 SBB004125 [1,0,0,0,0,0|2,0,0]=3 40 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 SBB004128 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.24 NC1=CC2=CC=CC=C2C=N1 SBB051996 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.24 NC1=CC2=CN=CC=C2C=C1 SBB069969 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 NC1=CC=C2C=CC=CC2=C1 SBB057506 [1,0,0,0,0,0|2,0,0]=3 44 B12R2.24 NC1=CC=C2N=CC=CC2=C1 SBB004130 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 NC1=NC2=C(C=C1)N=CC=C2 SBB086414 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.24 NC1=NC2=CC=CC=C2C=C1 SBB051994 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.24 NC1=NC2=NC=CC=C2C=C1 SBB081929 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 SBB000094 [1,0,0,0,0,0|0,0,0]=1 49 B12R2.24 O=C1C=CC2=CC=CC=C2N1 SBB004119 [1,0,0,0,0,0|1,0,0]=2 50 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SBB068599 [1,0,0,0,0,0|2,0,1]=4 51 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 SBB058834 [1,0,0,0,0,0|0,0,2]=3 52 B12R2.24 O=C1CCC2=CC=CC=C2N1 SBB056014 [1,0,0,0,0,0|1,0,2]=4 53 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SBB017923 [1,0,0,0,0,0|2,0,1]=4 54 B12R2.24 O=C1COC2=CC=CC=C2N1 SBB016409 [1,0,0,0,0,0|1,0,2]=4 55 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 SBB061807 [1,0,0,0,0,0|2,0,1]=4 56 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 SBB059635 [1,0,0,0,0,0|1,0,0]=2 57 B12R2.24 OC1=CC2=CC=CC=C2C=C1 SBB040896 [1,0,0,0,0,0|1,0,0]=2 58 B12R2.24 OC1=CC=C2C=CN=CC2=C1 SBB056018 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.24 OC1=CC=C2N=CC=CC2=C1 SBB004117 [1,0,0,0,0,0|2,0,0]=3 60 B12R2.24 OC1=NC2=CC=CC=C2N=C1 SBB056025 [1,0,0,0,0,0|2,0,0]=3 61 B12R2.24 OC1=NC2=NC=CC=C2C=C1 SBB081927 [1,0,0,0,0,0|2,0,1]=4 62 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 SBB059269 [1,0,0,0,0,0|1,1,0]=3 63 B12R2.24 SC1=CN=C2C=CC=CC2=N1 SBB059750 [1,0,0,0,0,0|2,1,0]=4 64 B14R2.1128 CC1=NC2=CC=CC=C2N=C1C=O SBB050325 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.1128 CC1=NC2=CC=CC=C2N\C1=N/O SBB000190 [0,1,0,0,0,0|3,0,0]=4 66 B14R2.1128 CC1OC2=CC=CC=C2C=C1C=O SBB076264 [0,1,0,0,0,0|1,0,2]=4 67 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1Cl SBB303375 [0,1,0,0,0,0|3,0,0]=4 68 B14R2.1128 N#CC1=CC2=C(C=CC=C2)N=C1N SBB013656 [0,1,0,0,0,0|3,0,0]=4 69 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O SBB067605 [0,1,0,0,0,0|1,0,0]=2 70 B14R2.1128 NNC1=NC2=C(C=CC=C2)N=C1O SBB016244 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.1128 NNC1=NC2=CC=CC=C2NC1=O SBB017861 [0,1,0,0,0,0|3,0,0]=4 72 B14R2.1128 O=C1NC2=CC=CC=C2N=C1CBr SBB054976 [0,1,0,0,0,0|3,0,0]=4 73 B14R2.1128 O=CC1=CC2=C(C=CC=C2)N=C1Cl SBB000302 [0,1,0,0,0,0|2,0,1]=4 74 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O SBB005056 [0,1,0,0,0,0|1,0,1]=3 75 B14R2.8188 CC1=C(Br)C(=O)NC2=CC=CC=C21 SBB049553 [0,1,0,0,0,0|2,0,0]=3 76 B14R2.8188 CC1=NC2=C(C=CC=C2)C(=O)N1O SBB089150 [0,1,0,0,0,0|3,0,0]=4 77 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 SBB017865 [0,1,0,0,0,0|2,0,1]=4 78 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O SBB006365 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 SBB010604 [0,1,0,0,0,0|2,0,1]=4 80 B14R2.8239 OC1=NC2=CC=C(Cl)C=C2N=C1O SBB092055 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.28472 NC1=C2NC(=O)C(=O)NC2=CC=C1 SBB014623 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.43 C(C1=CC=CC=C1)=C(\C)[N+](=O)[O-] SBB003925 [0,0,1,0,0,0|2,0,1]=4 83 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O SBB079963 [0,0,1,0,0,0|2,0,1]=4 84 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O SBB017509 [0,0,1,0,0,0|1,0,0]=2 85 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [0,0,1,0,0,0|1,0,2]=4 86 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [0,0,1,0,0,0|0,0,2]=3 87 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [0,0,1,0,0,0|0,0,2]=3 88 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 SBB087976 [0,0,1,0,0,0|1,0,0]=2 89 B12R1.43 O=C(O)\C(S)=C/C1=CC=CC=C1 SBB043389 [0,0,1,0,0,0|0,1,0]=2 90 B12R1.169 CCOC1=CC=CC=C1\C=N\O SBB029656 [0,0,1,0,0,0|2,0,1]=4 91 B12R1.371 CC1=CC=CC=C1OC(=O)CCl SBB060343 [0,0,1,0,0,0|1,0,2]=4 92 B12R2.18 CC1CC2=CC=CC=C2C1=O SBB067570 [0,0,0,0,1,0|1,0,2]=4 93 B12R2.18 CN1C(=O)CC2=CC=CC=C21 SBB006878 [0,0,0,0,1,0|3,0,0]=4 94 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 SBB017054 [0,0,0,0,1,0|2,0,0]=3 95 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 SBB071442 [0,0,0,0,1,0|2,1,0]=4 96 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 SBB012364 [0,0,0,0,1,0|2,1,0]=4 97 B12R2.18 O=C1C2=CC=CC=C2CC1Br SBB054709 [0,0,0,0,1,0|1,0,2]=4 98 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SBB068426 [0,0,0,0,1,0|0,0,2]=3 99 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O SBB009100 [0,0,0,0,1,0|1,0,1]=3 100 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O SBB087795 [0,0,0,0,1,0|0,1,1]=3 101 B14R2.738 CC1=NC2=C(C=CC=C2)NC(=O)C1 SBB009494 [0,0,0,0,0,1|3,0,0]=4 102 B14R2.738 O=C1CC(=O)NC2=CC=CC=C2N1 SBB042852 [0,0,0,0,0,1|2,0,1]=4 103 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 SBB040229 [1,0,1,0,0,0|1,0,0]=3 104 B11R1.40 O=C(CC1=CC=CC=C1)NO SBB086771 [1,0,1,0,0,0|2,0,0]=4 105 B11R1.40 O=C(CCl)OC1=CC=CC=C1 SBB060340 [1,0,1,0,0,0|1,0,1]=4 106 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 SBB040238 [1,0,1,0,0,0|1,0,0]=3 107 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 SBB004096 [1,0,1,0,0,0|1,0,0]=3 108 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 SBB040621 [1,0,1,0,0,0|1,0,0]=3 109 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SBB044891 [1,0,1,0,0,0|0,0,2]=4 110 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [1,0,1,0,0,0|0,0,2]=4 111 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [1,0,1,0,0,0|1,0,1]=4 112 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [1,0,1,0,0,0|1,0,1]=4 113 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [1,0,1,0,0,0|1,0,1]=4 114 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SBB028745 [1,0,1,0,0,0|0,0,0]=2 115 B11R1.91 O=C(O)\C=C\C1=CC=CC=N1 SBB059539 [1,0,1,0,0,0|1,0,0]=3 116 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 SBB028466 [1,0,1,0,0,0|1,0,0]=3 117 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 SBB028467 [1,0,1,0,0,0|1,0,0]=3 118 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 SBB072995 [1,0,1,0,0,0|2,0,0]=4 119 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 SBB056972 [1,0,1,0,0,0|1,0,1]=4 120 B11R1.41 COC1=C(\C=N\O)C=CC=C1 SBB008011 [1,0,1,0,0,0|1,0,1]=4 121 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 SBB080001 [1,0,1,0,0,0|2,0,0]=4 122 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 SBB060700 [1,0,1,0,0,0|0,0,2]=4 123 B11R1.86 CC(=O)OC1=CC=CC=C1F SBB086981 [1,0,1,0,0,0|1,0,1]=4 124 B11R1.86 CC1=CC=CC=C1CC(=O)O SBB063148 [1,0,1,0,0,0|1,0,1]=4 125 B11R1.86 NC(=O)CC1=CC=CC=C1O SBB072925 [1,0,1,0,0,0|1,0,1]=4 126 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 SBB006626 [1,0,1,0,0,0|1,0,1]=4 127 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 SBB057750 [1,0,1,0,0,0|1,0,1]=4 128 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 SBB057963 [1,0,1,0,0,0|1,0,1]=4 129 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 SBB057742 [1,0,1,0,0,0|0,0,1]=3 130 B11R1.86 O=C(O)CC1=CC=CC=C1I SBB063206 [1,0,1,0,0,0|1,0,1]=4 131 B11R2.20 C1=CC2=C(C=C1)N=CC=N2 SBB085760 [2,0,0,0,0,0|2,0,0]=4 132 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 SBB059694 [2,0,0,0,0,0|2,0,0]=4 133 B11R2.20 C1=CC2=CC=NC=C2C=C1 SBB060380 [2,0,0,0,0,0|2,0,0]=4 134 B11R2.20 C1=CC2=CN=CC=C2N=C1 SBB056301 [2,0,0,0,0,0|2,0,0]=4 135 B11R2.20 C1=CC2=CN=CN=C2C=C1 SBB085761 [2,0,0,0,0,0|2,0,0]=4 136 B11R2.20 C1=CN=C2C=CC=CC2=C1 SBB060379 [2,0,0,0,0,0|1,0,0]=3 137 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 SBB068897 [0,1,1,0,0,0|0,0,2]=4 138 B13R1.202 CC1=C(NC(=O)C(=O)O)C=CC=C1 SBB049973 [0,1,1,0,0,0|1,0,1]=4 139 B13R1.418 CO\C(=C/C1=CC=CC=C1)C(=O)O SBB021719 [0,1,1,0,0,0|0,0,0]=2 140 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O SBB028487 [0,1,1,0,0,0|1,0,0]=3 141 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(N)=O SBB088640 [0,1,1,0,0,0|2,0,0]=4 142 B13R1.418 N#C\C(=C/C1=CC=CN=C1)C(=O)O SBB088886 [0,1,1,0,0,0|2,0,0]=4 143 B13R1.470 CC1=C(NC(=O)\C=N\O)C=CC=C1 SBB108766 [0,1,1,0,0,0|1,0,1]=4 144 B13R1.470 O=C(\C=N\O)NC1=C(Cl)C=CC=C1 SBB108757 [0,1,1,0,0,0|2,0,0]=4 145 B13R1.470 O=C(\C=N\O)NC1=C(F)C=CC=C1 SBB108709 [0,1,1,0,0,0|2,0,0]=4 146 B13R2.32 CN1C(=O)C=CC2=C1C=CC=C2 SBB087359 [1,1,0,0,0,0|1,0,0]=3 147 B13R2.32 NC1=C(O)C=CC2=C1C=CC=C2 SBB000347 [1,1,0,0,0,0|1,0,0]=3 148 B13R2.32 NC1=C2C=CC=CC2=CC=C1O SBB013739 [1,1,0,0,0,0|1,0,0]=3 149 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 SBB096767 [1,1,0,0,0,0|1,0,0]=3 150 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O SBB069545 [1,1,0,0,0,0|1,0,0]=3 151 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 SBB080000 [1,1,0,0,0,0|1,0,0]=3 152 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 SBB054689 [1,1,0,0,0,0|1,0,0]=3 153 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 SBB096089 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.57 C(=O)C1=CC2=C(C=CC=C2)C=C1 SBB058891 [1,1,0,0,0,0|1,0,0]=3 155 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 SBB061449 [1,1,0,0,0,0|2,0,0]=4 156 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 SBB008352 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.57 COC1=CC=C2C=CC=CC2=C1 SBB060603 [1,1,0,0,0,0|1,0,0]=3 158 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 SBB088950 [1,1,0,0,0,0|1,1,0]=4 159 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 SBB005573 [1,1,0,0,0,0|2,0,0]=4 160 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 SBB054957 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.57 N#CC1=CC2=C(C=CC=C2)C=C1 SBB059611 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 SBB056016 [1,1,0,0,0,0|2,0,0]=4 163 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 SBB002488 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 SBB010402 [1,1,0,0,0,0|2,0,0]=4 165 B13R2.57 NCC1=NC2=C(C=CC=C2)C=C1 SBB019277 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 SBB015367 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 SBB066349 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 SBB041647 [1,1,0,0,0,0|1,0,1]=4 169 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 SBB010136 [1,1,0,0,0,0|0,0,2]=4 170 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 SBB017941 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 SBB019424 [1,1,0,0,0,0|2,0,0]=4 172 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 SBB004007 [1,1,0,0,0,0|1,0,0]=3 173 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 SBB009167 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.57 OCC1=CC2=C(C=CC=C2)N=C1 SBB025618 [1,1,0,0,0,0|1,0,0]=3 175 B13R2.155 CC1=NC2=C(C=CC(F)=C2)C=C1 SBB087524 [1,1,0,0,0,0|2,0,0]=4 176 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 SBB054589 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.155 NC1=CC2=C(C=C1)N=CC(=O)N2 SBB014164 [1,1,0,0,0,0|2,0,0]=4 178 B13R2.155 NC1=CC2=C(C=C1)N=CC(Br)=C2 SBB012832 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 SBB047734 [1,1,0,0,0,0|1,0,0]=3 180 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 SBB014181 [1,1,0,0,0,0|2,0,0]=4 181 B13R2.155 O=C1CNC2=CC=C(Cl)C=C2O1 SBB300269 [1,1,0,0,0,0|1,0,1]=4 182 B13R2.155 OC1=CC=C2C=CC(O)=CC2=C1 SBB061307 [1,1,0,0,0,0|1,0,0]=3 183 B13R2.162 CC1=CC=C2C=CC=C(C)C2=N1 SBB087220 [1,1,0,0,0,0|2,0,0]=4 184 B13R2.162 CC1=CC=C2C=CC=C(N)C2=N1 SBB010401 [1,1,0,0,0,0|2,0,0]=4 185 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 SBB089338 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 SBB009099 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.162 NC1=CC=C2C=CC=C(O)C2=N1 SBB003966 [1,1,0,0,0,0|2,0,0]=4 188 B13R2.162 O=C1C=CC2=CC=CC(O)=C2N1 SBB071886 [1,1,0,0,0,0|1,0,0]=3 189 B13R2.162 OC1=C2N=C(Cl)C=CC2=CC=C1 SBB037864 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 SBB054650 [1,1,0,0,0,0|1,0,0]=3 191 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 SBB062701 [1,1,0,0,0,0|0,0,0]=2 192 B13R2.328 CC1=CC(=S)NC2=C1C=CC=C2 SBB038631 [1,1,0,0,0,0|1,1,0]=4 193 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 SBB015248 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.328 CC1=NC2=C(C=CC=C2)C(N)=C1 SBB003992 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 SBB005362 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.328 ClC1=CC(Cl)=C2C=CC=CC2=N1 SBB092245 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.328 N1C(=O)OC(=O)C2=C1C=CC=C2 SBB003928 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)O1 SBB074226 [1,1,0,0,0,0|1,0,0]=3 199 B13R2.328 NC1=NC2=C(C=CC=C2)C(O)=C1 SBB028339 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 SBB048184 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 SBB038533 [1,1,0,0,0,0|0,0,0]=2 202 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 SBB069509 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 SBB079065 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)N1 SBB087583 [1,1,0,0,0,0|2,0,0]=4 205 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 SBB003929 [1,1,0,0,0,0|1,0,0]=3 206 B13R2.328 OC1=C2C=CC=CC2=NC(C)=C1 SBB003979 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.328 OC1=CC(C)=C2C=CC=CC2=N1 SBB003978 [1,1,0,0,0,0|1,0,1]=4 208 B13R2.328 [NH+]1=C2C=CC=CC2=C(Cl)C=C1C SBB061547 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 SBB061146 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.3683 CC1=NC2=C(C=C1)C=C(F)C=C2 SBB087523 [1,1,0,0,0,0|2,0,0]=4 211 B13R2.3683 CC1=NC2=C(C=C1)C=C(N)C=C2 SBB001638 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 SBB062910 [1,1,0,0,0,0|2,0,0]=4 213 B13R2.3683 NC1=CC=C2C=C(N)C=CC2=C1 SBB072565 [1,1,0,0,0,0|2,0,0]=4 214 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 SBB071793 [1,1,0,0,0,0|0,0,0]=2 215 B13R2.3683 O=C1C=CC2=C(N=CC(Br)=C2)N1 SBB096770 [1,1,0,0,0,0|2,0,0]=4 216 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 SBB056309 [1,1,0,0,0,0|0,0,0]=2 217 B13R2.3683 OC1=CC2=C(C=C1)C=C(O)C=C2 SBB000129 [1,1,0,0,0,0|1,0,0]=3 218 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 SBB054639 [1,1,0,0,0,0|1,0,0]=3 219 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 SBB060481 [1,1,0,0,0,0|1,0,0]=3 220 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 SBB010412 [0,1,0,0,1,0|2,0,0]=4 221 B13R2.45 CC1=C(C=O)OC2=CC=CC=C21 SBB111463 [0,1,0,0,1,0|1,0,0]=3 222 B13R2.45 CC1=C(C=O)SC2=CC=CC=C21 SBB089184 [0,1,0,0,1,0|1,1,0]=4 223 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)O1 SBB014463 [0,1,0,0,1,0|2,0,0]=4 224 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)N1 SBB004425 [0,1,0,0,1,0|2,0,0]=4 225 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 SBB072434 [0,1,0,0,1,0|1,1,0]=4 226 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 SBB015331 [0,1,0,0,1,0|2,0,0]=4 227 B13R2.135 N\N=C1/C(=O)NC2=C1C=CC=C2 SBB062318 [0,1,0,0,1,0|2,0,0]=4 228 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N/O SBB048293 [0,1,0,0,1,0|1,0,0]=3 229 B13R2.135 O=C1SC2=CC=CC=C2N1CO SBB056345 [0,1,0,0,1,0|1,1,0]=4 230 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 SBB052324 [0,1,0,0,1,0|2,0,0]=4 231 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 SBB038748 [0,1,0,0,1,0|1,0,1]=4 232 B13R2.3028 CN1C(=O)OC2=CC=C(N)C=C21 SBB072555 [0,1,0,0,1,0|2,0,0]=4 233 B13R2.3028 N1C(=O)C(=O)C2=C1C=CC(Cl)=C2 SBB003741 [0,1,0,0,1,0|1,0,1]=4 234 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O SBB061707 [0,1,0,0,1,0|1,0,1]=4 235 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O SBB012610 [0,1,0,0,1,0|1,0,1]=4 236 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O SBB038749 [0,1,0,0,1,0|1,0,1]=4 237 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O SBB061948 [0,1,0,0,1,0|1,0,1]=4 238 B13R2.3085 CC1C(=O)C2=CC=CC=C2C1=O SBB087420 [0,1,0,0,1,0|1,0,1]=4 239 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 SBB006835 [0,1,0,0,1,0|1,0,1]=4 240 B13R2.3085 CN1C(=O)C2=C(C=CC=C2)C1=O SBB087509 [0,1,0,0,1,0|2,0,0]=4 241 B13R2.3085 NN1C(=O)C2=CC=CC=C2C1=O SBB056325 [0,1,0,0,1,0|2,0,0]=4 242 B13R2.3085 O=C1C(=O)N(Cl)C2=C1C=CC=C2 SBB007868 [0,1,0,0,1,0|1,0,1]=4 243 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O SBB009098 [0,1,0,0,1,0|1,0,0]=3 244 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 SBB002431 [0,1,0,0,1,0|1,0,1]=4 245 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O SBB066728 [0,1,0,0,1,0|1,0,1]=4 246 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O SBB067159 [0,1,0,0,1,0|1,0,1]=4 247 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O SBB045989 [0,1,0,0,1,0|1,0,1]=4 248 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 SBB066733 [0,1,0,0,1,0|1,0,1]=4 249 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 SBB068371 [0,1,0,0,1,0|1,0,1]=4 250 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O SBB054675 [0,1,0,0,1,0|1,0,1]=4 251 B13R2.5190 CN1C(=O)OC2=CC(N)=CC=C21 SBB072948 [0,1,0,0,1,0|2,0,0]=4 252 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O SBB054674 [0,1,0,0,1,0|1,0,1]=4 253 B15R2.117 COC1=NC2=CC=CC=C2C=C1C=O SBB041656 [0,2,0,0,0,0|2,0,0]=4 254 B15R2.274 C(=O)C1=C(Cl)C2=C(C=CC=C2)OC1=O SBB003464 [0,2,0,0,0,0|0,0,1]=3 255 B15R2.274 N#CC1=C(N)C2=CC=CC=C2NC1=O SBB012963 [0,2,0,0,0,0|2,0,0]=4 256 B15R2.274 NC1=C(C=O)C(=O)C2=CC=CC=C2O1 SBB049168 [0,2,0,0,0,0|1,0,1]=4 257 B15R2.274 O=CC1=C(O)C2=C(C=CC=C2)OC1=O SBB038814 [0,2,0,0,0,0|0,0,1]=3 258 B15R2.888 O=C1NC2=C(C=CC=C2)N=C1CCO SBB046054 [0,2,0,0,0,0|2,0,0]=4 259 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)OC1=O SBB008168 [0,2,0,0,0,0|0,0,1]=3 260 B15R2.984 CC1=NC2=CC=CC=C2C=C1C(=O)O SBB039109 [0,2,0,0,0,0|2,0,0]=4 261 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O SBB053496 [0,2,0,0,0,0|1,0,0]=3 262 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1Cl SBB043112 [0,2,0,0,0,0|2,0,0]=4 263 B15R2.984 O=C(O)C1=CC2=CC=CC=C2NC1=O SBB010230 [0,2,0,0,0,0|1,0,0]=3 264 B15R2.984 O=C(O)C1=CC2=CC=CC=C2OC1=O SBB015268 [0,2,0,0,0,0|0,0,0]=2 265 B15R2.984 O=C(O)C1=NC2=CC=CC=C2NC1=O SBB000282 [0,2,0,0,0,0|2,0,0]=4 266 B15R2.984 OB(O)C1=C(Cl)N=C2C=CC=CC2=C1 SBB071304 [0,2,0,0,0,0|2,0,0]=4 267 B15R2.984 OB(O)C1=CC2=C(C=CC=C2)N=C1F SBB091212 [0,2,0,0,0,0|2,0,0]=4 268 B15R2.984 OC(=O)C1=C(N)C=C2C=CC=CC2=C1 SBB003690 [0,2,0,0,0,0|2,0,0]=4 269 B15R2.984 OC(=O)C1=C(O)N=C2C=CC=CC2=N1 SBB003659 [0,2,0,0,0,0|2,0,0]=4 270 B15R2.1754 CC1=CC2=NC(O)=C(C=O)C=C2C=C1 SBB048770 [0,2,0,0,0,0|2,0,0]=4 271 B15R2.21243 CN1C(=O)C(CCl)=CC2=CC=CC=C21 SBB014826 [0,2,0,0,0,0|2,0,0]=4 272 B15R2.21243 CN1C(=O)C(CO)=CC2=CC=CC=C21 SBB016640 [0,2,0,0,0,0|1,0,0]=3 273 B15R2.6237 O=CC1=C(O)C(Br)=CC2=CC=CC=C21 SBB035858 [0,2,0,0,0,0|2,0,0]=4 274 B15R2.9032 O=C1C(=O)C(=O)C2=CC=CC=C2C1=O SBB080684 [0,2,0,0,0,0|1,0,1]=4 275 B15R2.9032 O=C1C(O)=C(O)C(=O)C2=C1C=CC=C2 SBB080581 [0,2,0,0,0,0|1,0,1]=4 276 B15R2.63893 CC1=C(Cl)C(=O)OC2=CC(O)=CC=C21 SBB043697 [0,2,0,0,0,0|1,0,0]=3 277 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 SBB017507 [0,0,1,1,0,0|1,0,0]=3 278 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 SBB063050 [0,0,1,1,0,0|1,1,0]=4 279 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 SBB055962 [0,0,1,1,0,0|1,1,0]=4 280 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 SBB007360 [0,0,1,1,0,0|1,0,0]=3 281 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 SBB053663 [0,0,1,1,0,0|1,1,0]=4 282 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 SBB003953 [0,0,1,1,0,0|1,0,0]=3 283 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 SBB000137 [0,0,1,1,0,0|0,0,0]=2 284 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 SBB003763 [0,0,1,1,0,0|0,1,0]=3 285 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 SBB069687 [0,0,1,1,0,0|2,0,0]=4 286 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)S1 SBB089541 [0,0,1,1,0,0|1,1,0]=4 287 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 SBB106818 [0,0,1,1,0,0|2,0,0]=4 288 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 SBB069678 [0,0,1,1,0,0|2,0,0]=4 289 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 SBB010195 [0,0,1,1,0,0|2,0,0]=4 290 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 SBB019032 [0,0,1,1,0,0|2,0,0]=4 291 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 SBB042729 [0,0,1,1,0,0|0,0,2]=4 292 B13R2.1613 O=CC1=C2C=CC=CC2=CC=N1 SBB066348 [0,0,1,1,0,0|2,0,0]=4 293 B13R2.1613 O=CC1=CC=CC2=C1C=CC=C2 SBB040200 [0,0,1,1,0,0|2,0,0]=4 294 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 SBB063201 [0,0,1,0,1,0|1,0,0]=3 295 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SBB064017 [0,0,1,0,1,0|0,0,2]=4 296 B11R1.36 CC(=O)N(O)C1=CC=CC=C1 SBB058639 [0,0,1,0,1,0|2,0,0]=4 297 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SBB007855 [0,0,1,0,1,0|1,0,1]=4 298 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 SBB028298 [0,0,1,0,1,0|1,0,1]=4 299 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SBB056598 [0,0,1,0,1,0|1,0,1]=4 300 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 SBB057084 [0,0,1,0,1,0|0,0,1]=3 301 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 SBB007654 [0,0,1,0,1,0|1,0,1]=4 302 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 SBB086979 [0,0,1,0,1,0|1,0,1]=4 303 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 SBB007730 [0,0,1,0,1,0|0,0,1]=3 304 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 SBB017395 [0,0,1,0,1,0|0,1,1]=4 305 B11R1.222 NC1=CC=CC=C1C(=O)NO SBB017324 [0,0,1,0,1,0|2,0,0]=4 306 B11R1.222 O=C(NO)C1=CC=CC=C1O SBB043988 [0,0,1,0,1,0|2,0,0]=4 307 B11R2.1 BrC1=COC2=CC=CC=C12 SBB054554 [1,0,0,0,1,0|1,0,0]=3 308 B11R2.1 BrC1=CSC2=C1C=CC=C2 SBB003415 [1,0,0,0,1,0|1,1,0]=4 309 B11R2.1 CC1=CNC2=CC=CC=C12 SBB055975 [1,0,0,0,1,0|2,0,0]=4 310 B11R2.1 CC1=CSC2=CC=CC=C12 SBB086600 [1,0,0,0,1,0|1,1,0]=4 311 B11R2.1 NC1=CNC2=C1C=CC=C2 SBB010263 [1,0,0,0,1,0|2,0,0]=4 312 B11R2.1 NC1=NOC2=CC=CC=C21 SBB040079 [1,0,0,0,1,0|2,0,0]=4 313 B11R2.1 O=C1CCC2=CC=CC=C12 SBB056339 [1,0,0,0,1,0|0,0,2]=4 314 B11R2.1 O=C1COC2=CC=CC=C12 SBB056285 [1,0,0,0,1,0|0,0,2]=4 315 B11R2.1 O=C1NNC2=C1C=CC=C2 SBB004210 [1,0,0,0,1,0|2,0,0]=4 316 B11R2.1 O=C1OCC2=C1C=CC=C2 SBB056840 [1,0,0,0,1,0|1,0,1]=4 317 B11R2.1 OC1=NOC2=CC=CC=C21 SBB056388 [1,0,0,0,1,0|1,0,0]=3 318 B11R2.10 CC1=CC2=C(C=CC=C2)N1 SBB058480 [1,0,0,0,1,0|2,0,0]=4 319 B11R2.10 CC1=NC2=CC=CC=C2O1 SBB108741 [1,0,0,0,1,0|2,0,0]=4 320 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 SBB080914 [1,0,0,0,1,0|2,0,0]=4 321 B11R2.10 NC1=NC2=CC=CC=C2O1 SBB046613 [1,0,0,0,1,0|2,0,0]=4 322 B11R2.10 O=C1CC2=CC=CC=C2N1 SBB004215 [1,0,0,0,1,0|1,0,1]=4 323 B11R2.10 O=C1NC2=C(C=CC=C2)N1 SBB000067 [1,0,0,0,1,0|2,0,0]=4 324 B11R2.10 O=C1NC2=C(C=CC=C2)O1 SBB058504 [1,0,0,0,1,0|1,0,0]=3 325 B11R2.10 O=C1NC2=C(C=CC=C2)S1 SBB037873 [1,0,0,0,1,0|1,1,0]=4 326 B11R2.10 OC1=NC2=C(C=CC=C2)N1 SBB004209 [1,0,0,0,1,0|2,0,0]=4 327 B11R2.10 OC1=NC2=C(C=CC=C2)S1 SBB005792 [1,0,0,0,1,0|1,1,0]=4 328 B11R2.10 SC1=NC2=CC=CC=C2O1 SBB055994 [1,0,0,0,1,0|1,1,0]=4 329 B11R2.36 OC1=CC2=C(C=C1)NC=C2 SBB004214 [1,0,0,0,1,0|2,0,0]=4 330 B11R2.36 OC1=CC=C2C=CNC2=C1 SBB085833 [1,0,0,0,1,0|2,0,0]=4 331 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 SBB065026 [0,0,1,0,0,1|0,0,2]=4