0 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 ClCCSC1=NC=CC=C1 BB52-9581 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.17 NCCCC1=CC=CN=C1 BB31-5719 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 NCCNC1=NC=CC=C1 BB52-8028 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 NCCOC1=CC=NC=C1 BB32-2674 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 NCCOC1=NC=CC=C1 BB31-4550 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 NCCSC1=NC=CC=C1 BB52-8924 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.17 OCCSC1=NC=CC=C1 BB52-9072 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 CCNC1=NC=CC=C1 BB31-5587 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 CNCC1=CC=NC=C1 BB52-3970 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 NNCC1=NC=CC=C1 BB32-1215 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 N\N=C\C1=CC=CC=C1 BB32-2520 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 OCCC1=CN=CN=C1 BB31-8537 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.1 C#CCOC1=CC=C(Cl)C=C1 BB31-8208 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.1 C#CCOC1=CC=C(F)C=C1 BB31-1095 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.1 C=CCOC1=CC=C(C)C=C1 BB31-4230 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.1 CC1=CC=C(OCCBr)C=C1 BB31-4045 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.1 CCNCC1=CC=C(O)C=C1 BB31-5883 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.1 ClCCCC1=CC=C(Br)C=C1 BB31-4830 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.1 O=CCCC1=CC=C(Br)C=C1 BB31-6794 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.1 OCCCC1=CC=C(F)C=C1 BB31-7183 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.16 COCC(=O)C1=CC=CC=C1 BB31-5695 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 BB31-7522 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.16 COC[C@H](N)C1=CC=CC=C1 BB32-3222 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.16 N#CCC(O)C1=CC=CC=C1 BB31-7914 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.16 OCCC(O)C1=CC=CC=C1 BB32-2523 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.17 C#CCOC1=C(O)C=CC=C1 BB31-2647 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.17 CC1=C(CCCO)C=CC=C1 BB32-0475 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.17 CCCOC1=C(N)C=CC=C1 BB31-5710 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.17 CCNCC1=C(O)C=CC=C1 BB31-9257 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.17 COCCC1=C(O)C=CC=C1 BB32-1663 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.17 COCOC1=C(N)C=CC=C1 BB31-6383 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.17 NCCCC1=C(Br)C=CC=C1 BB31-5716 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.17 OCCCC1=C(Cl)C=CC=C1 BB32-3226 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.17 OCCCC1=C(F)C=CC=C1 BB31-8703 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.24 CC1=CC=CC(NCCO)=C1 BB17-0632 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.24 COCCC1=CC(O)=CC=C1 BB32-1678 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.24 N#CCCC1=CC=CC(F)=C1 BB32-0937 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.24 NCCCC1=CC=CC(Br)=C1 BB31-3431 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.24 O=CCCC1=CC=CC(Br)=C1 BB31-4155 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.24 OCCCC1=CC=CC(Br)=C1 BB32-3048 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.24 OCCCC1=CC=CC(Cl)=C1 BB31-4195 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.24 OCCCC1=CC=CC(F)=C1 BB31-2996 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.28 C#CCNCC1=CC=CC=C1 BB31-1370 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.28 CCCC#CC1=CC=CC=C1 BB31-3592 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.28 CNCCSC1=NC=CC=C1 BB52-9534 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.28 ClCCCSC1=NC=CC=C1 BB53-0616 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.28 ClCCNCC1=CC=CN=C1 BB52-9884 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.28 ClCCNCC1=CC=NC=C1 BB52-9449 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.28 ClCCNCC1=NC=CC=C1 BB53-0573 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.28 NCCCOC1=CC=CC=C1 BB31-8683 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.28 NCCNCC1=CC=CN=C1 BB53-0712 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.28 NCCNCC1=CC=NC=C1 BB52-9903 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.28 NCCNCC1=NC=CC=C1 BB53-0185 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.28 OCCC#CC1=CC=CC=C1 BB31-0301 [0,1,0,0,0,0|1,0,2]=4 56 B11R1.28 OCCCCC1=CN=CC=C1 BB31-5838 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.28 OCCCCC1=NC=CC=C1 BB31-3724 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.28 OCCCSC1=NC=CC=C1 BB52-9523 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.28 OCCNCC1=CC=CN=C1 BB52-9596 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.28 OCCNCC1=CC=NC=C1 BB53-0514 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.28 OCCNCC1=NC=CC=C1 BB52-9143 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.40 CC(C#N)NC1=CC=CC=C1 BB32-1220 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.40 NCC(O)CC1=CC=CC=C1 BB32-2349 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.91 CC(C)NCC1=CC=CN=C1 BB31-3857 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [0,1,0,0,0,0|3,0,0]=4 71 B11R2.1 CC1=NOC2=C1C=CC=C2 BB31-4705 [0,0,0,1,0,0|3,0,0]=4 72 B11R2.1 CN1C=NC2=C1C=CN=C2 BB32-2894 [0,0,0,1,0,0|2,0,1]=4 73 B11R2.1 CN1C=NC2=CC=CN=C21 BB32-3692 [0,0,0,1,0,0|2,0,1]=4 74 B11R2.1 CN1C=NC2=NC=CC=C21 BB31-7800 [0,0,0,1,0,0|2,0,1]=4 75 B11R2.1 O=C1CCC2=C1C=NC=C2 BB31-4897 [0,0,0,1,0,0|3,0,0]=4 76 B11R2.1 O=C1CSC2=C1C=CC=C2 BB31-1622 [0,0,0,1,0,0|3,0,0]=4 77 B11R2.1 OC1CCC2=C1C=CC=N2 BB31-8742 [0,0,0,1,0,0|3,0,0]=4 78 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 BB31-5413 [0,0,0,1,0,0|2,0,0]=3 79 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 BB31-4659 [0,0,0,1,0,0|2,0,0]=3 80 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 BB31-4761 [0,0,0,1,0,0|2,0,0]=3 81 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 BB31-5270 [0,0,0,1,0,0|2,0,0]=3 82 B11R2.20 C1=CC2=C(C=C1)CNNC2 BB31-5478 [0,0,0,1,0,0|1,0,0]=2 83 B11R2.20 C1=CC2=C(C=N1)CCNC2 BB31-4989 [0,0,0,1,0,0|1,0,0]=2 84 B11R2.20 C1=CC2=C(C=N1)CCNC2 BB31-5092 [0,0,0,1,0,0|1,0,0]=2 85 B11R2.20 C1=CC2=C(C=N1)CNCC2 BB31-8350 [0,0,0,1,0,0|1,0,0]=2 86 B11R2.20 C1=CC=C2OCCNC2=C1 BB51-1682 [0,0,0,1,0,0|3,0,0]=4 87 B11R2.20 C1=CC=C2SCC=NC2=C1 BB52-7621 [0,0,0,1,0,0|3,0,0]=4 88 B11R2.20 C1=CN=C2CCNCC2=C1 BB31-5976 [0,0,0,1,0,0|1,0,0]=2 89 B11R2.20 C1=CN=C2CCNCC2=C1 BB32-1880 [0,0,0,1,0,0|1,0,0]=2 90 B11R2.20 C1=CN=C2CNCCC2=C1 BB31-4985 [0,0,0,1,0,0|1,0,0]=2 91 B11R2.20 C1=CN=C2NCCCC2=C1 BB31-5477 [0,0,0,1,0,0|3,0,0]=4 92 B11R2.20 C1=CN=C2OCCCC2=C1 BB31-4408 [0,0,0,1,0,0|3,0,0]=4 93 B11R2.20 C1=NC=C2CCNCC2=N1 BB31-4033 [0,0,0,1,0,0|2,0,0]=3 94 B11R2.20 C1=NC=C2CNCCC2=N1 BB31-4165 [0,0,0,1,0,0|2,0,0]=3 95 B11R2.239 C1=CC(C2CNC2)=CC=N1 BB31-0986 [0,0,0,1,0,0|1,0,0]=2 96 B11R2.239 C1=CC=C(C2CCN2)C=C1 BB31-8120 [0,0,0,1,0,0|2,0,0]=3 97 B11R2.239 C1=CN=CC(C2CNC2)=C1 BB31-0985 [0,0,0,1,0,0|1,0,0]=2 98 B11R2.988 OCC1CC2=C1C=CC=C2 BB31-2934 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.12 CNCCN1C=CC=N1 BB52-9466 [0,0,0,0,1,0|2,0,0]=3 100 B9R1.12 CNCCN1C=CN=C1 BB52-9610 [0,0,0,0,1,0|2,0,0]=3 101 B9R1.12 CNCCN1C=NC=N1 BB53-0411 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.12 OCCCC1=CSC=C1 BB31-5720 [0,0,0,0,1,0|3,0,0]=4 103 B9R1.12 OCCCN1C=CC=C1 BB31-5461 [0,0,0,0,1,0|3,0,0]=4 104 B8R1.2 CNC1=CN=CN=C1 BB32-1997 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.2 NCC1=CC=NC=C1 BB32-3106 [2,0,0,0,0,0|1,0,0]=3 106 B8R1.2 NCC1=CN=NC=C1 BB31-7658 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.2 NNC1=NC=CC=C1 BB52-0908 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.1 C=CCC1=CC=C(O)C=C1 BB31-5055 [1,1,0,0,0,0|0,0,2]=4 109 B10R1.1 CC1=CC=C(SCCl)C=C1 BB31-6111 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.1 CC1=NC=C(CCO)C=C1 BB31-0061 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.1 CCOC1=CN=C(Cl)C=C1 BB32-3970 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.1 CCOC1=NC=C(F)C=C1 BB31-8599 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.1 CSCC1=CC=C(F)C=C1 BB32-3225 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.1 OCCC1=CN=C(Cl)C=C1 BB31-8395 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.1 OCCC1=NC=C(Br)C=C1 BB31-8160 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.4 CC1=C(CON)C=CC=C1 BB31-8696 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.4 CCNC1=C(N)C=NC=C1 BB31-2606 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.4 CCNC1=C(O)C=CC=C1 BB31-4887 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.4 CCOC1=CC=CN=C1Br BB31-6362 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.4 CNCC1=C(O)C=CC=C1 BB31-5689 [1,1,0,0,0,0|0,0,0]=2 121 B10R1.4 NOCC1=C(Cl)C=CC=C1 BB32-2623 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.4 OCCC1=C(I)C=CC=C1 BB31-4375 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.10 CCCC1=CC=CC(Br)=C1 BB31-3877 [1,1,0,0,0,0|0,0,0]=2 124 B10R1.10 CCCC1=CC=CC(F)=C1 BB31-4486 [1,1,0,0,0,0|0,0,0]=2 125 B10R1.10 CCOC1=CC(Br)=NC=C1 BB32-0438 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.10 CCOC1=CC=CC(S)=C1 BB31-5788 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.10 CCOC1=CN=CC(N)=C1 BB32-2544 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.10 CCOC1=NC=CC(Br)=C1 BB32-3242 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.10 COCC1=CC(Br)=NC=C1 BB31-1862 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.10 NOCC1=CC=CC(Cl)=C1 BB31-4564 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.10 NOCC1=CC=CC(F)=C1 BB32-2410 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.15 C=C(CC)C1=CC=CC=C1 BB31-3793 [1,1,0,0,0,0|0,0,1]=3 133 B10R1.15 CCC(N)C1=CC=CN=C1 BB31-0914 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.15 COC(=N)C1=CC=CC=C1 BB31-6235 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.15 NC(CO)C1=NC=CC=C1 BB31-5647 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.18 CC(C)CC1=NC=CC=C1 BB31-5691 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.18 N=C(N)CC1=CC=CN=C1 BB52-5807 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.18 N=C(N)CC1=NC=CC=C1 BB52-5801 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.16 CNCCN1C=C(C)C=N1 BB52-9554 [0,1,0,0,1,0|2,0,0]=4 143 B10R1.21 CCNCCN1C=CC=N1 BB53-0723 [0,1,0,0,1,0|2,0,0]=4 144 B10R1.21 CCNCCN1C=CN=C1 BB53-0767 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.29 CNCCN1C=CN=C1C BB53-0897 [0,1,0,0,1,0|2,0,0]=4 146 B12R1.1 COCCOC1=NC=C(Br)C=C1 BB32-1184 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 BB32-3534 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 BB31-1752 [0,2,0,0,0,0|1,0,0]=3 149 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 BB31-5466 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 BB31-6128 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 BB31-6129 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.71 CCOCC1=CC=C(OC)C=C1 BB32-2498 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.30 NC(CCCO)C1=CC=CC=C1 BB32-2038 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 BB12-7973 [0,2,0,0,0,0|1,0,1]=4 158 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 BB05-3247 [0,2,0,0,0,0|1,0,1]=4 159 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 BB31-1753 [0,2,0,0,0,0|1,0,0]=3 160 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.121 COC1=C(CCCO)C=CC=C1 BB31-8466 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.267 COCCOC1=C(Br)C=CC=C1 BB31-8411 [0,2,0,0,0,0|1,0,0]=3 166 B12R1.267 COCCOC1=C(N)C=CC=C1 BB31-7064 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.28 NCCCOC1=CC=CC(Cl)=C1 BB31-0484 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.28 NCCCOC1=CC=CC(F)=C1 BB31-0485 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.8 CCCCCCC1=CC=NC=C1 BB32-1186 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.8 CCNCCSC1=NC=CC=C1 BB53-0726 [0,2,0,0,0,0|1,0,0]=3 171 B12R1.8 CNCCNCC1=CC=CN=C1 BB53-0734 [0,2,0,0,0,0|1,0,0]=3 172 B12R1.8 CNCCNCC1=CC=NC=C1 BB52-9377 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.8 CNCCNCC1=NC=CC=C1 BB53-0219 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.8 ClCCCNCC1=CC=CN=C1 BB53-0056 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.8 ClCCCNCC1=CC=NC=C1 BB53-0133 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.8 ClCCCNCC1=NC=CC=C1 BB53-0582 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.8 NCCCCCC1=CC=CC=C1 BB31-3637 [0,2,0,0,0,0|1,0,0]=3 178 B12R1.8 OCCCC#CC1=CC=CC=C1 BB31-4278 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.8 OCCCNCC1=CC=CN=C1 BB52-8972 [0,2,0,0,0,0|2,0,0]=4 180 B12R1.8 OCCCNCC1=CC=NC=C1 BB52-9759 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.8 OCCCNCC1=NC=CC=C1 BB53-1152 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [0,2,0,0,0,0|1,0,1]=4 184 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 BB32-1672 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [0,2,0,0,0,0|1,0,0]=3 186 B12R1.252 FC(F)CNCC1=CC=CC=C1 BB05-4643 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 BB32-3884 [0,2,0,0,0,0|1,0,1]=4 188 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,2,0,0,0,0|2,0,0]=4 189 B10R2.7 C1=CC2=C(C=C1)SCS2 BB32-1488 [1,0,0,1,0,0|2,0,0]=4 190 B10R2.7 C1=CC2=C(C=N1)CCN2 BB31-4247 [1,0,0,1,0,0|1,0,0]=3 191 B10R2.7 C1=CC2=C(C=N1)CCN2 BB32-3376 [1,0,0,1,0,0|1,0,0]=3 192 B10R2.7 C1=CC2=C(C=N1)CNC2 BB32-2969 [1,0,0,1,0,0|1,0,0]=3 193 B10R2.7 C1=CC2=C(C=N1)NCC2 BB31-4675 [1,0,0,1,0,0|1,0,0]=3 194 B10R2.7 C1=CN=C2CCNC2=C1 BB31-9759 [1,0,0,1,0,0|1,0,0]=3 195 B10R2.7 C1=CN=C2CCNC2=C1 BB32-0564 [1,0,0,1,0,0|1,0,0]=3 196 B10R2.7 C1=NC=C2CNCC2=N1 BB31-3008 [1,0,0,1,0,0|2,0,0]=4 197 B10R2.136 C1=CN(C2CNC2)N=C1 BB31-2330 [0,0,0,1,1,0|2,0,0]=4 198 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 BB31-5223 [0,1,0,1,0,0|2,0,0]=4 199 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 BB31-2894 [0,1,0,1,0,0|1,0,0]=3 200 B12R2.24 BrC1=CN=C2CCNCC2=C1 BB31-0688 [0,1,0,1,0,0|1,0,0]=3 201 B12R2.24 BrC1=NC2=C(C=C1)CCCC2 BB32-3702 [0,1,0,1,0,0|2,0,0]=4 202 B12R2.24 CC1=CC2=C(C=C1)CCNC2 BB31-4100 [0,1,0,1,0,0|0,0,0]=2 203 B12R2.24 CC1=CC2=C(C=C1)CNCC2 BB32-1895 [0,1,0,1,0,0|0,0,0]=2 204 B12R2.24 CC1=NC2=CC=CC=C2SC1 BB52-7622 [0,1,0,1,0,0|2,0,0]=4 205 B12R2.24 CC1CNC2=C(C=CC=C2)C1 BB31-4086 [0,1,0,1,0,0|2,0,0]=4 206 B12R2.24 CC1CNC2=C(C=CC=C2)N1 BB32-3882 [0,1,0,1,0,0|2,0,0]=4 207 B12R2.24 CC1CNC2=C(C=CC=C2)S1 BB32-3335 [0,1,0,1,0,0|2,0,0]=4 208 B12R2.24 CC1COC2=C(C=CC=C2)N1 BB32-1397 [0,1,0,1,0,0|2,0,0]=4 209 B12R2.24 CN1CCC2=C(C=CC=C2)C1 BB32-2641 [0,1,0,1,0,0|0,0,0]=2 210 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 BB31-7944 [0,1,0,1,0,0|0,0,0]=2 211 B12R2.24 ClC1=CN=C2CCNCC2=C1 BB31-1502 [0,1,0,1,0,0|1,0,0]=3 212 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 BB31-5207 [0,1,0,1,0,0|2,0,0]=4 213 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 BB31-4162 [0,1,0,1,0,0|1,0,0]=3 214 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 BB31-1746 [0,1,0,1,0,0|2,0,0]=4 215 B12R2.24 NC1=CC2=C(C=C1)CNCC2 BB31-3465 [0,1,0,1,0,0|0,0,0]=2 216 B12R2.24 NC1CNC2=C(C=CC=C2)C1 BB32-1614 [0,1,0,1,0,0|2,0,0]=4 217 B12R2.24 NC1COC2=C(C=CC=C2)C1 BB31-4949 [0,1,0,1,0,0|2,0,0]=4 218 B12R2.24 O=C1C=CC2=C(CCCC2)N1 BB32-2457 [0,1,0,1,0,0|2,0,0]=4 219 B12R2.24 OC1=CC2=C(C=C1)CNCC2 BB32-3087 [0,1,0,1,0,0|0,0,0]=2 220 B12R2.24 OC1=CC2=C(C=C1)OCCC2 BB31-6047 [0,1,0,1,0,0|2,0,0]=4 221 B12R2.24 OC1=CN=C2CCCCC2=C1 BB32-3495 [0,1,0,1,0,0|2,0,0]=4 222 B12R2.24 OC1CNC2=C(C=CC=C2)C1 BB32-1531 [0,1,0,1,0,0|2,0,0]=4 223 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 BB31-9844 [0,1,0,1,0,0|2,0,0]=4 224 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 BB31-3897 [0,1,0,1,0,0|2,0,0]=4 225 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 BB31-6035 [0,1,0,1,0,0|0,0,2]=4 226 B12R2.132 CN1N=CC2=C1C=C(F)C=C2 BB31-7761 [0,1,0,1,0,0|1,0,1]=4 227 B12R2.132 CN1N=CC2=C1C=C(O)C=C2 BB31-8890 [0,1,0,1,0,0|1,0,1]=4 228 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 BB32-3775 [0,1,0,1,0,0|2,0,0]=4 229 B12R2.132 NC1CCC2=C1C=C(F)C=C2 BB31-0781 [0,1,0,1,0,0|2,0,0]=4 230 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 BB31-9837 [0,1,0,1,0,0|2,0,0]=4 231 B12R2.294 BrC1=CC=C(OC2CC2)C=C1 BB32-1305 [0,1,0,1,0,0|2,0,0]=4 232 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 BB32-2056 [0,1,0,1,0,0|1,0,0]=3 233 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 BB31-8627 [0,1,0,1,0,0|1,0,1]=4 234 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 BB32-3315 [0,1,0,1,0,0|1,0,0]=3 235 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 BB32-3398 [0,1,0,1,0,0|1,0,0]=3 236 B12R2.2 C1=CN=CC(C2CCNC2)=C1 BB32-3380 [0,1,0,1,0,0|1,0,0]=3 237 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 BB31-3001 [0,1,0,1,0,0|1,0,0]=3 238 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [0,1,0,1,0,0|2,0,0]=4 239 B12R2.116 NC1(C2=CC=CC=C2)CCC1 BB31-5544 [0,1,0,1,0,0|1,0,0]=3 240 B12R2.116 NC1(C2=CC=CC=C2)COC1 BB31-5222 [0,1,0,1,0,0|1,0,0]=3 241 B12R2.116 OC1(C2=CC=CC=C2)CNC1 BB32-1141 [0,1,0,1,0,0|0,0,0]=2 242 B12R2.116 OC1(C2=CC=CC=C2)CNC1 BB32-2731 [0,1,0,1,0,0|0,0,0]=2 243 B12R2.116 OC1(C2=CC=CC=C2)COC1 BB31-6968 [0,1,0,1,0,0|1,0,0]=3 244 B12R2.1081 BrC1=C2CCCCC2=CC=C1 BB32-3385 [0,1,0,1,0,0|1,0,0]=3 245 B12R2.1081 BrC1=C2OCCCC2=CC=C1 BB32-2036 [0,1,0,1,0,0|2,0,0]=4 246 B12R2.1081 CC1CCNC2=C1C=CC=C2 BB31-4716 [0,1,0,1,0,0|1,0,0]=3 247 B12R2.1081 CN1CCNC2=C1C=CC=C2 BB31-1425 [0,1,0,1,0,0|0,0,0]=2 248 B12R2.1081 ClC1=C2CCCNC2=CC=C1 BB31-5042 [0,1,0,1,0,0|2,0,0]=4 249 B12R2.1081 ClC1=C2CCNCC2=CC=C1 BB32-3696 [0,1,0,1,0,0|0,0,0]=2 250 B12R2.1081 ClC1=C2CCNCC2=CC=C1 BB32-3914 [0,1,0,1,0,0|0,0,0]=2 251 B12R2.1081 ClC1=C2CNCCC2=CC=C1 BB32-3999 [0,1,0,1,0,0|0,0,0]=2 252 B12R2.1081 FC1=C2CCNCC2=CC=C1 BB31-6943 [0,1,0,1,0,0|0,0,0]=2 253 B12R2.1081 N=C1NC=CC2=C1CCCC2 BB32-3993 [0,1,0,1,0,0|2,0,0]=4 254 B12R2.1081 NC1=CC=CC2=C1CCCO2 BB32-2814 [0,1,0,1,0,0|2,0,0]=4 255 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 BB32-1584 [0,1,0,1,0,0|1,0,0]=3 256 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 BB31-9835 [0,1,0,1,0,0|2,0,0]=4 257 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 BB31-4049 [0,1,0,1,0,0|2,0,0]=4 258 B12R2.1081 O=C1COCC2=C1C=CC=C2 BB31-4135 [0,1,0,1,0,0|1,0,1]=4 259 B12R2.1081 O=C1NC=CC2=C1CCNC2 BB31-0504 [0,1,0,1,0,0|1,0,0]=3 260 B12R2.1081 O=C1NC=NC2=C1CNCC2 BB31-9251 [0,1,0,1,0,0|2,0,0]=4 261 B12R2.1081 OB1OCCC2=C1C=CC=C2 BB31-4013 [0,1,0,1,0,0|2,0,0]=4 262 B12R2.1081 OC1=C2CCNCC2=CC=C1 BB31-9142 [0,1,0,1,0,0|0,0,0]=2 263 B12R2.1081 OC1=C2CNCCC2=CC=C1 BB32-1666 [0,1,0,1,0,0|0,0,0]=2 264 B12R2.1081 OC1COCC2=C1C=CC=C2 BB31-4134 [0,1,0,1,0,0|1,0,0]=3 265 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 BB31-4223 [0,1,0,1,0,0|1,0,0]=3 266 B12R2.2028 NC1CC(=O)C2=C1C=CC=C2 BB32-0444 [0,1,0,1,0,0|2,0,0]=4 267 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 BB31-5520 [0,1,0,1,0,0|1,0,0]=3 268 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 BB31-7748 [0,1,0,1,0,0|1,0,0]=3 269 B12R2.2075 OC(C1=CN=CC=C1)C2CC2 BB31-2948 [0,1,0,1,0,0|2,0,0]=4 270 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 BB32-0346 [0,1,0,1,0,0|1,0,1]=4 271 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 BB32-0509 [0,1,0,1,0,0|1,0,1]=4 272 B12R2.32 O=CC1CC2=C(C=CC=C2)C1 BB32-1577 [0,1,0,1,0,0|2,0,0]=4 273 B12R2.32 OCC1CC2=C(C=CC=C2)C1 BB32-2348 [0,1,0,1,0,0|2,0,0]=4 274 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 BB31-4454 [0,1,0,1,0,0|2,0,0]=4 275 B12R2.196 CC1=CC=CC2=C1CCC2O BB32-3812 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.196 CN1N=NC2=C1C=CC=C2N BB05-4903 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 BB31-0904 [0,1,0,1,0,0|2,0,0]=4 278 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 BB31-0902 [0,1,0,1,0,0|2,0,0]=4 279 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 BB31-1669 [0,1,0,1,0,0|2,0,0]=4 280 B12R2.225 BrC1=C(OC2CC2)C=CC=C1 BB32-1911 [0,1,0,1,0,0|2,0,0]=4 281 B12R2.203 CN1N=CC2=CC=CC(F)=C21 BB31-6073 [0,1,0,1,0,0|1,0,1]=4 282 B12R2.203 CN1N=NC2=C1C(N)=CC=C2 BB05-4904 [0,1,0,1,0,0|2,0,0]=4 283 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 BB32-3302 [0,1,0,1,0,0|2,0,0]=4 284 B12R2.203 NC1CCC2=CC=CC(Br)=C21 BB31-9389 [0,1,0,1,0,0|2,0,0]=4 285 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 BB31-8353 [0,1,0,1,0,0|0,0,2]=4 286 B12R2.612 CN1C=NC2=CC(N)=CC=C21 BB52-6130 [0,1,0,1,0,0|1,0,1]=4 287 B12R2.612 CN1CCC2=C1C=CC(N)=C2 BB31-1016 [0,1,0,1,0,0|0,0,0]=2 288 B12R2.612 CN1N=CC2=C1C=CC(I)=C2 BB31-7872 [0,1,0,1,0,0|1,0,1]=4 289 B12R2.612 CN1N=CC2=C1C=CC(O)=C2 BB31-5255 [0,1,0,1,0,0|1,0,1]=4 290 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 BB31-9391 [0,1,0,1,0,0|2,0,0]=4 291 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 BB31-7488 [0,1,0,1,0,0|2,0,0]=4 292 B12R2.612 NC1CCC2=C1C=CC(F)=C2 BB31-2856 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 BB31-2788 [0,1,0,1,0,0|2,0,0]=4 294 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 BB31-7436 [0,1,0,1,0,0|2,0,0]=4 295 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 BB31-9459 [0,1,0,1,0,0|1,0,0]=3 296 B12R2.1 CCN1C=CC2=C1C=CC=C2 BB31-8973 [0,1,0,1,0,0|0,0,2]=4 297 B12R2.1 OCN1C=NC2=CC=CC=C21 BB52-6189 [0,1,0,1,0,0|1,0,1]=4 298 B12R2.23 O=C1CCN1C2=CC=CC=C2 BB32-2781 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 BB52-8660 [0,1,0,1,0,0|2,0,0]=4 300 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 BB31-2974 [0,1,0,1,0,0|1,0,1]=4 301 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.8 BrCCN1C=CC=C1 BB31-5450 [1,0,0,0,1,0|2,0,0]=4 303 B8R1.8 CCCC1=NNC=C1 BB31-7142 [1,0,0,0,1,0|2,0,0]=4 304 B8R1.8 NCCC1=NC=CS1 BB52-6118 [1,0,0,0,1,0|2,0,0]=4 305 B8R1.8 NCCN1C=CC=N1 BB53-0567 [1,0,0,0,1,0|2,0,0]=4 306 B8R1.8 NCCN1C=CN=C1 BB32-0624 [1,0,0,0,1,0|2,0,0]=4 307 B8R1.8 NCCN1C=CN=C1 BB52-8954 [1,0,0,0,1,0|2,0,0]=4 308 B8R1.8 OCCC1=COC=C1 BB31-4913 [1,0,0,0,1,0|2,0,0]=4