0 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 35734 [0,0,0,0,0,0|1,0,1]=2 1 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 25817 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.32 CCOC(=O)CC1=CC=CN=C1 20506 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.32 CCOC(=O)CC1=CC=NC=C1 12839 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.32 CCOC(=O)CC1=NC=CC=N1 18563 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.32 CN(CCN)CC1=CC=CC=C1 23917 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21788 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21789 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 13915 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [1,0,0,0,0,0|1,0,2]=4 11 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [1,0,0,0,0,0|2,0,1]=4 12 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CC=C1 20026 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CN=C1 20038 [0,1,0,0,0,0|3,0,0]=4 14 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 20060 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 17730 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 13300 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.19 NC1CCN(CC2=CC=CC=C2)C1 11196 [0,0,0,1,0,0|3,0,0]=4 18 B14R2.19 NC1CCN(CC2=CC=CC=C2)C1 9198 [0,0,0,1,0,0|3,0,0]=4 19 B14R2.19 N[C@@H]1CCN(CC2=CC=CC=C2)C1 11162 [0,0,0,1,0,0|3,0,0]=4 20 B14R2.19 N[C@@H]1CCN(CC2=CC=CC=C2)C1 6383 [0,0,0,1,0,0|3,0,0]=4 21 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 11160 [0,0,0,1,0,0|3,0,0]=4 22 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 6382 [0,0,0,1,0,0|3,0,0]=4 23 B14R2.19 OC1CCN(CC2=CC=CC=C2)C1 23373 [0,0,0,1,0,0|3,0,0]=4 24 B14R2.19 O[C@@H]1CCN(Cc2ccccc2)C1 13096 [0,0,0,1,0,0|3,0,0]=4 25 B14R2.19 O[C@H]1CCN(Cc2ccccc2)C1 13097 [0,0,0,1,0,0|3,0,0]=4 26 B14R2.598 CC1=NN(C2=CC=CC=C2)C(=O)C1 13301 [0,0,0,1,0,0|2,0,1]=4 27 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 16697 [0,0,0,0,1,0|2,0,1]=4 28 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 35878 [0,0,0,0,1,0|2,0,1]=4 29 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 16362 [0,0,0,0,1,0|2,0,1]=4 30 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 10700 [0,0,0,0,1,0|3,0,0]=4 31 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 25653 [0,0,0,0,0,1|1,0,1]=3 32 B11R1.28 CCCCCC1=CC=CC=C1 16788 [2,0,0,0,0,0|0,0,1]=3 33 B11R1.28 CCCCOC1=CC=CC=C1 12529 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.28 CCO\C=N\C1=CC=CC=C1 27347 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.28 OCCCCC1=CC=CC=C1 3100 [2,0,0,0,0,0|1,0,1]=4 36 B11R1.28 OCCNCC1=CC=CC=C1 12960 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.28 OCCOCC1=CC=CC=C1 1939 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.28 OCCSCC1=CC=CC=C1 10801 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [2,0,0,0,0,0|1,0,0]=3 40 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [2,0,0,0,0,0|2,0,0]=4 45 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 20039 [1,1,0,0,0,0|1,0,0]=3 46 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 28874 [1,1,0,0,0,0|1,0,0]=3 47 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 17208 [1,1,0,0,0,0|1,0,0]=3 48 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 12861 [1,1,0,0,0,0|1,0,0]=3 49 B13R1.44 CCOCC(=O)NC1=CC=CC=C1 3367 [1,1,0,0,0,0|1,0,0]=3 50 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 14031 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 10349 [1,1,0,0,0,0|1,0,0]=3 52 B13R1.47 CCOC(=O)[C@H](N)c1ccccc1 10931 [1,1,0,0,0,0|1,0,0]=3 53 B13R1.718 N[C@H](CO)CSCC1=CC=CC=C1 25085 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.3523 C[Si](C)(C)CNCC1=CC=CC=C1 13712 [1,1,0,0,0,0|1,1,0]=4 55 B13R1.148 CN(C)C(=O)OC1=CC(N)=CC=C1 34287 [0,1,0,0,1,0|2,0,0]=4 56 B13R1.353 CC(C)(C)C(=O)NC1=CC=CN=C1 26854 [0,1,0,0,1,0|2,0,0]=4 57 B13R1.353 CC(C)(C)C(=O)NC1=CC=NC=C1 26855 [0,1,0,0,1,0|2,0,0]=4 58 B13R1.353 CC(C)(C)C(=O)NC1=NC=CC=C1 26853 [0,1,0,0,1,0|2,0,0]=4 59 B13R1.132 CC(C)NC(=O)C1=NC=C(Br)C=C1 9632 [0,1,0,0,1,0|2,0,0]=4 60 B13R1.201 CC(C)CC(=O)C1=C(Br)C=CC=C1 25704 [0,1,0,0,1,0|0,0,0]=2 61 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 24247 [0,1,0,0,0,1|1,0,0]=3 62 B15R1.741 C[C@@H](CBr)NC(=O)OCC1=CC=CC=C1 22132 [0,1,0,0,0,1|1,0,0]=3 63 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 12188 [0,1,0,0,0,1|1,0,0]=3 64 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 6265 [0,1,0,0,0,1|1,0,0]=3 65 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 13016 [0,1,0,0,0,1|0,0,0]=2 66 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCc1ccccc1 13014 [0,1,0,0,0,1|1,0,0]=3 67 B15R1.5336 CN(C)\C=C(/C=O)OCC1=CC=CC=C1 21569 [0,1,0,0,0,1|1,0,1]=4 68 B15R1.5802 CC(C)(C)OC(=O)NC1=C(N)C=CC=C1 14771 [0,2,0,0,0,0|2,0,0]=4 69 B15R1.5802 CC1=C(NC(=O)OC(C)(C)C)C=CC=C1 20029 [0,2,0,0,0,0|2,0,0]=4 70 B15R1.3977 CC(C)(C)OC(=O)[C@@H](N)C1=CC=CC=C1 23601 [0,2,0,0,0,0|1,0,0]=3 71 B15R1.3977 CC(C)(C)OC(=O)[C@@H](N)c1ccccc1 19017 [0,2,0,0,0,0|1,0,0]=3 72 B15R1.913 CC(C)(C)OC(=O)NC1=CC=C(F)C=C1 36243 [0,2,0,0,0,0|2,0,0]=4 73 B15R1.913 CC(C)(C)OC(=O)NC1=CC=C(N)C=C1 28285 [0,2,0,0,0,0|2,0,0]=4 74 B15R1.8303 CC(C)(C)OC(=O)NC1=CC(N)=CC=C1 25140 [0,2,0,0,0,0|2,0,0]=4 75 B15R1.8303 CC1=CC(NC(=O)OC(C)(C)C)=CC=C1 20031 [0,2,0,0,0,0|2,0,0]=4 76 B13R2.15 O=C1CCCN1C2=CC=CC=C2 23691 [1,0,0,1,0,0|1,0,0]=3 77 B13R2.26 CCCC1=CC2=CC=CC=C2C1 5403 [1,0,0,1,0,0|1,0,0]=3 78 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 21433 [1,0,0,1,0,0|2,0,0]=4 79 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 22384 [1,0,0,1,0,0|2,0,0]=4 80 B13R2.2382 c1ccc(COC[C@@H]2CO2)cc1 5855 [1,0,0,1,0,0|2,0,0]=4 81 B13R2.2382 c1ccc(COC[C@H]2CO2)cc1 5849 [1,0,0,1,0,0|2,0,0]=4 82 B13R2.3122 CC1(C)CCSC2=CC=CC=C21 16388 [1,0,0,1,0,0|1,0,1]=4 83 B13R2.359 CC1=NC2=CC=CC=C2C1(C)C 7445 [0,0,0,1,1,0|2,0,0]=4 84 B13R2.369 NC1CC2=CC=CC=C2NC1=O 17875 [0,0,0,1,1,0|2,0,0]=4 85 B13R2.435 CC(C)C1=CC2=CC=CC=C2C1 35010 [0,0,0,1,1,0|1,0,0]=3 86 B15R2.325 O=C1C[C@H](O)CN1CC2=CC=CC=C2 22243 [0,0,0,1,0,1|1,0,0]=3 87 B15R2.327 CC1(C)OC(=O)N[C@H]1C2=CC=CC=C2 18190 [0,0,0,1,0,1|1,0,0]=3 88 B15R2.1668 CC(C)CC1=NC2=CC=CC=C2C=C1 6108 [0,0,0,1,0,1|1,0,1]=4 89 B15R2.13973 CC1(C)CC(=O)NC2=CC=C(Br)C=C21 17960 [0,1,0,1,0,0|1,0,0]=3 90 B15R2.15 CNC1CCN(CC2=CC=CC=C2)C1 11212 [0,1,0,1,0,0|2,0,0]=4 91 B15R2.15 CN[C@@H]1CCN(CC2=CC=CC=C2)C1 11214 [0,1,0,1,0,0|2,0,0]=4 92 B15R2.15 CN[C@H]1CCN(CC2=CC=CC=C2)C1 11213 [0,1,0,1,0,0|2,0,0]=4 93 B15R2.15 NC[C@@H]1CCN(CC2=CC=CC=C2)C1 11188 [0,1,0,1,0,0|2,0,0]=4 94 B15R2.15 NC[C@H]1CCN(CC2=CC=CC=C2)C1 11189 [0,1,0,1,0,0|2,0,0]=4 95 B15R2.15 OCC1CCN(CC2=CC=CC=C2)C1 9156 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.16 CCCC(=O)C1=CC=CN=C1 34740 [1,0,0,0,1,0|1,0,0]=3 97 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [1,0,0,0,1,0|1,0,1]=4 98 B11R1.16 CCOC(=O)C1=CC=NC=C1 11139 [1,0,0,0,1,0|2,0,0]=4 99 B11R1.16 CCOC(=O)C1=CC=NC=C1 11733 [1,0,0,0,1,0|2,0,0]=4 100 B11R1.16 CCOC(=O)C1=CN=CC=C1 11727 [1,0,0,0,1,0|2,0,0]=4 101 B11R1.16 CCOC(=O)C1=NC=CC=C1 11659 [1,0,0,0,1,0|2,0,0]=4 102 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [1,0,0,0,1,0|1,0,0]=3 103 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [1,0,0,0,1,0|0,0,2]=4 104 B11R1.16 N#CCC(=O)C1=CC=CC=C1 14543 [1,0,0,0,1,0|1,0,1]=4 105 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [1,0,0,0,1,0|1,0,0]=3 106 B11R1.16 O=C(CCCl)C1=CC=CC=C1 14089 [1,0,0,0,1,0|1,0,0]=3 107 B11R1.16 O=C(CCF)C1=CC=CC=C1 26688 [1,0,0,0,1,0|1,0,0]=3 108 B11R1.16 O=C(NCO)C1=CC=CC=C1 12540 [1,0,0,0,1,0|2,0,0]=4 109 B11R1.30 CCOC(=O)CC1=CC=CO1 17309 [1,0,0,0,1,0|2,0,0]=4 110 B11R1.30 CCOC(=O)CC1=CC=CS1 7414 [1,0,0,0,1,0|2,0,0]=4 111 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [1,0,0,0,1,0|1,0,0]=3 112 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [1,0,0,0,1,0|2,0,0]=4 113 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [0,0,0,0,2,0|1,0,0]=3 114 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 7881 [0,0,0,0,2,0|1,0,0]=3 115 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 29143 [0,0,0,0,2,0|2,0,0]=4 116 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [1,0,0,0,0,1|1,0,0]=3 117 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [1,0,0,0,0,1|1,0,0]=3 118 B13R1.42 CCOC(=O)COC1=CC=CN=C1 16756 [1,0,0,0,0,1|2,0,0]=4 119 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [1,0,0,0,0,1|1,0,0]=3 120 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 12070 [1,0,0,0,0,1|1,0,0]=3 121 B15R1.5919 CC(C)NCC(O)COC1=CC=CC=C1 25268 [0,0,0,0,0,2|0,0,2]=4