0 B12R1.125 CC1=CC=CC=C1CCC(=O)O 018855 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 106330 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 009235 [0,0,0,0,0,0|3,1,0]=4 3 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 018310 [0,0,0,0,0,0|3,1,0]=4 4 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 018433 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.17 CCCCC1=CC=CC=C1N 330100 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.17 CCCOC1=CC=CC=C1F 218796 [1,0,0,0,0,0|2,1,0]=4 7 B11R1.17 COCOC1=CC=CC=C1Br 308278 [1,0,0,0,0,0|2,1,0]=4 8 B11R1.17 N#CCOC1=C(Cl)C=CC=C1 022110 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.17 N#CSCC1=C(Cl)C=CC=C1 045088 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.17 O=C=NCC1=CC=CC=C1Cl 098608 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.17 OCCCC1=CC=CC=C1Cl 334105 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.17 OCCSC1=C(Cl)C=CC=C1 019305 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.17 S=C=NCC1=C(Cl)C=CC=C1 002527 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.91 CC(=N)SCC1=CC=CC=C1 471468 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.91 CC(C)NCC1=CC=CC=C1 366623 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.91 CC(C)OCC1=CC=CC=C1 095354 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 CC(O)COC1=CC=CC=C1 099908 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.91 CN(C)CCC1=NC=CC=C1 098956 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 448612 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl 018534 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.528 CNC(=O)COC1=C(Cl)C=CC=C1 106329 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.528 COC(=O)CCC1=C(Cl)C=CC=C1 049753 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.528 COC(=O)CCC1=CC=CC=C1Br 225494 [0,1,0,0,0,0|2,1,0]=4 28 B13R1.3787 O=C(O)CCC1=C(Cl)C=CC=C1Cl 018535 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.86 CC(C)OC1=C(F)C=CC=C1 098216 [0,0,0,0,1,0|2,1,0]=4 30 B11R1.86 CC(C)OC1=C(N)C=CC=C1 038802 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.86 CC(C)OC1=C(O)C=CC=C1 463350 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.86 CC1=C(OC(C)C)C=CC=C1 024930 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.86 CN(C)CC1=C(O)C=CC=C1 103436 [0,0,0,0,1,0|1,0,0]=2 34 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 357832 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.86 O=C(Cl)CC1=CC=CC=C1Cl 246436 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 046145 [0,0,0,0,1,0|3,0,0]=4 37 B10R1.4 CC1=C(CCN)C=CC=C1 018849 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.4 CC1=C(CCN)C=CC=C1 094128 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.4 CC1=CC=CC=C1CCO 243106 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.4 CCCC1=CC=NC=C1C 032545 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.4 CCNC1=C(F)C=CC=C1 017358 [2,0,0,0,0,0|1,1,0]=4 42 B10R1.4 CCNC1=CC=CC=C1C 243028 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.4 CCOC1=C(Br)C=CC=C1 239298 [2,0,0,0,0,0|1,1,0]=4 44 B10R1.4 CCOC1=C(C)C=CC=C1 095339 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.4 CCOC1=C(F)C=CC=C1 006316 [2,0,0,0,0,0|1,1,0]=4 46 B10R1.4 CCOC1=C(N)C=CC=C1 044850 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.4 CCOC1=CC=CC=C1O 216685 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.4 CCSC1=C(Cl)C=CC=C1 094570 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.4 CNCC1=CC=CC=C1F 077128 [2,0,0,0,0,0|0,1,0]=3 50 B10R1.4 COCC1=CC=CC=C1Br 233857 [2,0,0,0,0,0|1,1,0]=4 51 B10R1.4 N#CCC1=CC=CC=C1Cl 225964 [2,0,0,0,0,0|0,0,2]=4 52 B10R1.4 NCCC1=C(Cl)C=CC=C1 008893 [2,0,0,0,0,0|0,0,0]=2 53 B10R1.4 NCCC1=C(F)C=CC=C1 044800 [2,0,0,0,0,0|0,1,0]=3 54 B10R1.4 NCCC1=CC=CC=C1Br 067221 [2,0,0,0,0,0|0,1,0]=3 55 B10R1.4 NNCC1=C(F)C=CC=C1 070628 [2,0,0,0,0,0|1,1,0]=4 56 B10R1.4 OCCC1=C(F)C=CC=C1 006314 [2,0,0,0,0,0|1,1,0]=4 57 B10R1.4 OCCC1=CC=CC=C1Br 210426 [2,0,0,0,0,0|1,1,0]=4 58 B10R1.4 OCCC1=CC=CC=C1Cl 329148 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.4 OCCC1=CC=CC=C1O 215704 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.17 BrCCCC1=CC=CC=C1 113800 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 C#CCCC1=CC=CC=C1 062967 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.17 C=CCCC1=CC=CC=C1 342184 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.17 CCCCC1=CC=CC=C1 240933 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.17 CCCNC1=CC=CC=C1 324115 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.17 CCCSC1=CC=CC=C1 094618 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.17 CCNCC1=CC=CC=C1 239060 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.17 CCOCC1=CC=CC=C1 240434 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.17 CCSCC1=CC=CC=C1 094637 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.17 CNCCC1=CC=CC=C1 046956 [2,0,0,0,0,0|0,0,0]=2 71 B10R1.17 CNCCC1=NC=CC=C1 065480 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.17 ClCCCC1=CC=CC=C1 320132 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 N#CCCC1=CC=CC=C1 337065 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.17 NCCCC1=CC=CC=C1 008890 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.17 O=CCCC1=CC=CC=C1 237467 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.17 OCCCC1=CC=CC=C1 241187 [2,0,0,0,0,0|2,0,0]=4 77 B12R1.267 COCCOC1=C(Br)C=CC=C1 465864 [1,1,0,0,0,0|1,1,0]=4 78 B12R1.267 COCCOC1=C(N)C=CC=C1 060092 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.267 COCCSC1=C(Br)C=CC=C1 102384 [1,1,0,0,0,0|1,1,0]=4 80 B12R1.371 CNC(=O)CC1=C(C)C=CC=C1 102549 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.371 COC(=O)CC1=CC=CC=C1Cl 223690 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.374 CCCSC1=C(Cl)C=CC(Cl)=C1 095073 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.1631 CCCSC1=C(Cl)C=CC=C1Cl 097742 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 003627 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.21 CC(C)COC1=CC=C(N)C=C1 038448 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 008895 [1,1,0,0,0,0|0,0,0]=2 87 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 239138 [1,1,0,0,0,0|0,0,0]=2 88 B12R1.27 CNC(=O)CCC1=CC=CC=C1 105160 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.27 COC(=O)CCC1=CC=CC=C1 078491 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 095425 [1,1,0,0,0,0|0,0,1]=3 91 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 229777 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.107 CC(C)CC(C)C1=NC=CC=C1 032553 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.891 CC(C)(C)SCC1=CC=CC=C1 102454 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.124 CN(C)C(=O)C1=C(Br)C=CC=C1 094014 [0,1,0,0,1,0|0,1,1]=4 95 B12R1.124 CN(C)C(=O)C1=C(N)C=CC=C1 044467 [0,1,0,0,1,0|1,0,1]=4 96 B12R1.127 CC(C)SC1=C(Cl)C=CC(Cl)=C1 095055 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.233 CC(=O)CC1=C(Cl)C=C(Cl)C=C1 400163 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.1009 CC(C)OC1=C(Cl)C=CC=C1F 097724 [0,1,0,0,1,0|2,0,0]=4 99 B14R1.6049 CN(C)C(=O)Oc1ccc(Cl)cc1Cl 196123 [0,2,0,0,0,0|1,0,1]=4 100 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Cl 229786 [0,2,0,0,0,0|2,0,0]=4 101 B12R2.41 C1=CC2=C(C=C1)CCNCC2 046252 [1,0,0,1,0,0|1,0,0]=3 102 B12R2.41 C1=CC=C2NCCCCC2=C1 036434 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.1081 OC1=C2CCCCC2=CC=C1 242836 [1,0,0,1,0,0|2,0,0]=4 104 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 093159 [0,1,0,1,0,0|1,0,1]=4 105 B14R2.2 CN(C)CN1N=NC2=C1C=CC=C2 180424 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [1,0,0,0,1,0|2,0,0]=4 107 B10R1.18 CC(C)CC1=CC=NC=C1 032546 [1,0,0,0,1,0|2,0,0]=4 108 B10R1.18 CC(C)NC1=CC=CC=C1 079480 [1,0,0,0,1,0|2,0,0]=4 109 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [1,0,0,0,1,0|2,0,0]=4 110 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [1,0,0,0,1,0|0,0,0]=2 112 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [1,0,0,0,1,0|2,0,0]=4 114 B10R1.61 CC(=O)C1=CC=CC=C1Cl 003397 [0,0,0,0,2,0|2,0,0]=4 115 B10R1.61 CC(C)C1=C(Br)C=CC=C1 009741 [0,0,0,0,2,0|1,1,0]=4 116 B10R1.61 CC(C)C1=C(I)C=CC=C1 001198 [0,0,0,0,2,0|1,1,0]=4 117 B10R1.61 CC(C)C1=C(N)C=CC=C1 033911 [0,0,0,0,2,0|2,0,0]=4 118 B10R1.61 CC(C)C1=CC=CC=C1O 208839 [0,0,0,0,2,0|2,0,0]=4 119 B10R1.61 CC(C)C1=CC=CC=C1S 023120 [0,0,0,0,2,0|2,0,0]=4 120 B10R1.61 CN(C)C1=CC=CC=C1Br 215675 [0,0,0,0,2,0|0,1,0]=3 121 B10R1.61 CN(C)C1=CC=CC=C1N 079293 [0,0,0,0,2,0|1,0,0]=3