0 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 20207 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.42 CCOC(=O)COC1=CC=CN=C1 16756 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 20165 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 12070 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.8 NCCCCCC1=CC=CC=C1 12508 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.8 O=CCCOCC1=CC=CC=C1 29295 [1,0,0,0,0,0|1,0,2]=4 9 B12R1.8 OCCCCCC1=CC=CC=C1 34219 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.8 OCCCOCC1=CC=CC=C1 20097 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [1,0,0,0,0,0|0,0,2]=3 12 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [1,0,0,0,0,0|1,0,0]=2 19 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [1,0,0,0,0,0|2,0,0]=3 22 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 20129 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 13894 [0,1,0,0,0,0|2,0,0]=3 24 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 13851 [0,1,0,0,0,0|2,0,0]=3 25 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 13852 [0,1,0,0,0,0|2,0,0]=3 26 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 23251 [0,1,0,0,0,0|2,0,0]=3 27 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 31859 [0,1,0,0,0,0|2,0,1]=4 28 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 13751 [0,1,0,0,0,0|2,0,1]=4 29 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 19008 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.156 N#CCNC(=O)OCc1ccccc1 16386 [0,1,0,0,0,0|1,0,1]=3 31 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 12356 [0,1,0,0,0,0|1,0,0]=2 32 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 12614 [0,1,0,0,0,0|2,0,1]=4 33 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 27582 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 20092 [0,1,0,0,0,0|2,0,0]=3 35 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 8180 [0,1,0,0,0,0|2,0,1]=4 36 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 8172 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 8158 [0,1,0,0,0,0|2,0,1]=4 38 B14R1.502 CCOC(=O)\C=N\C1=CC=C(Br)C=C1 22847 [0,1,0,0,0,0|3,0,0]=4 39 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 34170 [0,1,0,0,0,0|3,0,0]=4 40 B14R1.598 CCOC(=O)\C=C\C1=C(Br)C=CC=C1 16216 [0,1,0,0,0,0|2,0,1]=4 41 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 19043 [0,1,0,0,0,0|1,0,0]=2 42 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 34994 [0,1,0,0,0,0|1,0,0]=2 43 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 25653 [0,1,0,0,0,0|0,0,1]=2 44 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 16023 [0,0,0,1,0,0|2,0,0]=3 45 B14R2.101 C1=CC=C(CO[C@@H]2CCNC2)C=C1 23383 [0,0,0,1,0,0|2,0,1]=4 46 B14R2.436 NC1CC(OCC2=CC=CC=C2)C1 17643 [0,0,0,1,0,0|2,0,1]=4 47 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 35959 [0,0,0,1,0,0|1,0,0]=2 48 B14R2.598 C[C@H]1NC(=O)O[C@H]1c2ccccc2 6871 [0,0,0,1,0,0|1,0,0]=2 49 B14R2.2899 O=C(OCC1=CC=CC=C1)[C@@H]2CN2 12053 [0,0,0,1,0,0|1,0,0]=2 50 B14R2.2899 O=C(OCC1=CC=CC=C1)[C@H]2CN2 12052 [0,0,0,1,0,0|1,0,0]=2 51 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [0,0,0,0,1,0|1,0,0]=2 52 B12R1.32 CCOC(=O)CC1=CC=CN=C1 20506 [0,0,0,0,1,0|2,0,0]=3 53 B12R1.32 CCOC(=O)CC1=CC=NC=C1 12839 [0,0,0,0,1,0|2,0,0]=3 54 B12R1.32 CCOC(=O)CC1=NC=CC=N1 18563 [0,0,0,0,1,0|3,0,0]=4 55 B12R1.32 CN(CCN)CC1=CC=CC=C1 23917 [0,0,0,0,1,0|3,0,0]=4 56 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21788 [0,0,0,0,1,0|2,0,0]=3 57 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21789 [0,0,0,0,1,0|2,0,0]=3 58 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 13915 [0,0,0,0,1,0|2,0,0]=3 59 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 18107 [0,0,0,0,0,1|3,0,0]=4 60 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 10952 [0,0,0,0,0,1|2,0,0]=3 61 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.28 CCCCCC1=CC=CC=C1 16788 [2,0,0,0,0,0|0,0,1]=3 63 B11R1.28 CCCCOC1=CC=CC=C1 12529 [2,0,0,0,0,0|0,0,1]=3 64 B11R1.28 CCO\C=N\C1=CC=CC=C1 27347 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.28 OCCCCC1=CC=CC=C1 3100 [2,0,0,0,0,0|1,0,1]=4 66 B11R1.28 OCCNCC1=CC=CC=C1 12960 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.28 OCCOCC1=CC=CC=C1 1939 [2,0,0,0,0,0|1,0,0]=3 68 B11R1.28 OCCSCC1=CC=CC=C1 10801 [2,0,0,0,0,0|1,1,0]=4 69 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [2,0,0,0,0,0|1,0,0]=3 71 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [2,0,0,0,0,0|1,0,0]=3 74 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [2,0,0,0,0,0|1,0,0]=3 75 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [2,0,0,0,0,0|1,0,0]=3 77 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [2,0,0,0,0,0|2,0,0]=4 78 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 29302 [1,1,0,0,0,0|0,0,2]=4 79 B13R1.28 OCCCCOCC1=CC=CC=C1 44915 [1,1,0,0,0,0|0,0,1]=3 80 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 22930 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 35755 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 28884 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 28883 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.135 COC(=O)C(O)Cc1ccccc1 23902 [1,1,0,0,0,0|2,0,0]=4 85 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 10882 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 6055 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 10883 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 14742 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.135 N[C@H](Cc1ccccc1)C(=O)CCl 11515 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 12308 [1,1,0,0,0,0|0,0,0]=2 91 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 12863 [1,1,0,0,0,0|0,0,0]=2 92 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 18931 [1,1,0,0,0,0|0,0,0]=2 93 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 36205 [1,1,0,0,0,0|0,0,0]=2 94 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 28882 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 20039 [0,1,0,0,1,0|1,0,0]=3 96 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 28874 [0,1,0,0,1,0|1,0,0]=3 97 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 17208 [0,1,0,0,1,0|1,0,0]=3 98 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 12861 [0,1,0,0,1,0|1,0,0]=3 99 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 14031 [0,1,0,0,1,0|1,0,1]=4 100 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 10349 [0,1,0,0,1,0|1,0,0]=3 101 B13R1.47 CCOC(=O)[C@H](N)c1ccccc1 10931 [0,1,0,0,1,0|1,0,0]=3 102 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 35734 [0,1,0,0,1,0|0,0,1]=3 103 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 18829 [0,1,0,0,0,1|2,0,0]=4 104 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 6054 [0,1,0,0,0,1|2,0,0]=4 105 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 5781 [0,1,0,0,0,1|2,0,0]=4 106 B15R1.1252 CCOC(=O)CCCC1=C(Br)C=CC=C1 14405 [0,1,0,0,0,1|2,0,0]=4 107 B15R1.10389 CCOC(=O)CCC1=CC(C=O)=CC=C1 27607 [0,2,0,0,0,0|2,0,0]=4 108 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10910 [0,2,0,0,0,0|2,0,0]=4 109 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10911 [0,2,0,0,0,0|2,0,0]=4 110 B15R1.48 CCOC(=O)[C@@H](N)Cc1ccc(F)cc1 30129 [0,2,0,0,0,0|2,0,0]=4 111 B15R1.78 O=CCCNC(=O)OCC1=CC=CC=C1 13633 [0,2,0,0,0,0|0,0,1]=3 112 B15R1.741 C[C@@H](CBr)NC(=O)OCC1=CC=CC=C1 22132 [0,2,0,0,0,0|1,0,0]=3 113 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 12188 [0,2,0,0,0,0|1,0,0]=3 114 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 6265 [0,2,0,0,0,0|1,0,0]=3 115 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 9718 [0,2,0,0,0,0|1,0,1]=4 116 B15R1.793 CCOC(=O)CCC1=CC=C(C=O)C=C1 27619 [0,2,0,0,0,0|2,0,0]=4 117 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 13016 [0,2,0,0,0,0|0,0,0]=2 118 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCc1ccccc1 13014 [0,2,0,0,0,0|0,0,0]=2 119 B15R1.5336 CN(C)\C=C(/C=O)OCC1=CC=CC=C1 21569 [0,2,0,0,0,0|1,0,1]=4 120 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 1895 [1,0,0,1,0,0|1,0,1]=4 121 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 8019 [1,0,0,1,0,0|1,0,1]=4 122 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 8017 [1,0,0,1,0,0|2,0,0]=4 123 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 22274 [1,0,0,1,0,0|1,0,1]=4 124 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 22275 [1,0,0,1,0,0|1,0,1]=4 125 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 17264 [1,0,0,1,0,0|1,0,1]=4 126 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 17558 [1,0,0,1,0,0|1,0,1]=4 127 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 17560 [1,0,0,1,0,0|1,0,1]=4 128 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 17266 [1,0,0,1,0,0|1,0,1]=4 129 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 28205 [1,0,0,1,0,0|2,0,0]=4 130 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 17557 [1,0,0,1,0,0|1,0,1]=4 131 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 17559 [1,0,0,1,0,0|1,0,1]=4 132 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 22384 [1,0,0,1,0,0|1,0,1]=4 133 B13R2.2382 c1ccc(COC[C@@H]2CO2)cc1 5855 [1,0,0,1,0,0|1,0,1]=4 134 B13R2.2382 c1ccc(COC[C@H]2CO2)cc1 5849 [1,0,0,1,0,0|1,0,1]=4 135 B13R2.10 O=C1N[C@@H](c2ccccc2)CO1 6076 [1,0,0,1,0,0|2,0,0]=4 136 B13R2.10 O=C1N[C@H](c2ccccc2)CO1 6077 [1,0,0,1,0,0|2,0,0]=4 137 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 27598 [1,0,0,1,0,0|1,0,0]=3 138 B13R2.373 O=C1NC(C2=CC=CC=C2)C1O 24548 [1,0,0,1,0,0|2,0,0]=4 139 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@@H]1O 24545 [1,0,0,1,0,0|2,0,0]=4 140 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O 24544 [1,0,0,1,0,0|2,0,0]=4 141 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 24546 [1,0,0,1,0,0|2,0,0]=4 142 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@H]1O 24547 [1,0,0,1,0,0|2,0,0]=4 143 B13R2.26 CCCC1=CC2=CC=CC=C2C1 5403 [0,0,0,1,1,0|1,0,0]=3 144 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 21433 [0,0,0,1,1,0|2,0,0]=4 145 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 7726 [0,0,0,1,0,1|1,0,0]=3 146 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 9397 [0,0,0,1,0,1|1,0,0]=3 147 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 27690 [0,0,0,1,0,1|2,0,0]=4 148 B15R2.38 O=C1CCCC\C1=C\C2=CC=CC=C2 14548 [0,1,0,1,0,0|1,0,1]=4 149 B15R2.38 O=C1CNCCN1CC2=CC=CC=C2 23103 [0,1,0,1,0,0|1,0,0]=3 150 B15R2.1356 CCOC(=O)[C@@H]1CC2=CC=CC=C2N1 14241 [0,1,0,1,0,0|2,0,0]=4 151 B15R2.1356 CCOC(=O)[C@@H]1CC2=CC=CC=C2N1 25679 [0,1,0,1,0,0|2,0,0]=4 152 B15R2.321 C[C@H]1[C@H](C2=CC=CC=C2)OC(=O)N1C 36216 [0,1,0,1,0,0|1,0,0]=3 153 B15R2.327 CC1(C)OC(=O)N[C@H]1C2=CC=CC=C2 18190 [0,1,0,1,0,0|2,0,0]=4 154 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [1,0,0,0,1,0|1,0,0]=3 155 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [1,0,0,0,1,0|1,0,0]=3 156 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [1,0,0,0,1,0|2,0,0]=4 157 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [1,0,0,0,1,0|2,0,0]=4 158 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [1,0,0,0,1,0|2,0,0]=4 159 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [1,0,0,0,1,0|2,0,0]=4 160 B11R1.16 CCCC(=O)C1=CC=CN=C1 34740 [0,0,0,0,2,0|1,0,0]=3 161 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [0,0,0,0,2,0|1,0,1]=4 162 B11R1.16 CCOC(=O)C1=CC=NC=C1 11139 [0,0,0,0,2,0|2,0,0]=4 163 B11R1.16 CCOC(=O)C1=CC=NC=C1 11733 [0,0,0,0,2,0|2,0,0]=4 164 B11R1.16 CCOC(=O)C1=CN=CC=C1 11727 [0,0,0,0,2,0|2,0,0]=4 165 B11R1.16 CCOC(=O)C1=NC=CC=C1 11659 [0,0,0,0,2,0|2,0,0]=4 166 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [0,0,0,0,2,0|1,0,0]=3 167 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [0,0,0,0,2,0|0,0,2]=4 168 B11R1.16 N#CCC(=O)C1=CC=CC=C1 14543 [0,0,0,0,2,0|1,0,1]=4 169 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [0,0,0,0,2,0|1,0,0]=3 170 B11R1.16 O=C(CCCl)C1=CC=CC=C1 14089 [0,0,0,0,2,0|1,0,0]=3 171 B11R1.16 O=C(CCF)C1=CC=CC=C1 26688 [0,0,0,0,2,0|1,0,0]=3 172 B11R1.16 O=C(NCO)C1=CC=CC=C1 12540 [0,0,0,0,2,0|2,0,0]=4 173 B11R1.30 CCOC(=O)CC1=CC=CO1 17309 [0,0,0,0,2,0|2,0,0]=4 174 B11R1.30 CCOC(=O)CC1=CC=CS1 7414 [0,0,0,0,2,0|2,0,0]=4 175 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 22905 [0,0,0,0,0,2|2,0,0]=4