0 B13R1.718 CCC(=O)COCC1=CC=CC=C1 C74376 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.718 COC(=O)COCC1=CC=CC=C1 W10280 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.718 COC(=O)NOCC1=CC=CC=C1 W13562 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 67393 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.718 O=C(CCl)OCCC1=CC=CC=C1 D94805 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.8 CCCCCCC1=CC=NC=C1 O11233 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.8 CCCCCC[N+]1=CC=CC=C1 T72952 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [1,0,0,0,0,0|3,0,0]=4 11 B14R1.13 COC(=O)CCCC1=CC=C(F)C=C1 D84523 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 34043 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 32658 [0,1,0,0,0,0|3,0,0]=4 14 B14R1.13 COC(=O)\C=C\CC1=CC=C(O)C=C1 66203 [0,1,0,0,0,0|2,0,1]=4 15 B14R1.520 CCOC(=O)CNCC1=NC=CC=C1 T72721 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.756 COC(=O)[C@H](C)OCC1=CC=CC=C1 C12989 [0,1,0,0,0,0|3,0,0]=4 17 B14R1.6449 CC(C)C(=O)NCCC1=CC=CC=C1 AB9882 [0,1,0,0,0,0|1,0,0]=2 18 B14R1.6449 C[C@H](O)C(=O)OCCC1=CC=CC=C1 73762 [0,1,0,0,0,0|0,0,0]=1 19 B14R2.19 C=C1CCN(CC2=CC=CC=C2)C1 W16256 [0,0,0,1,0,0|3,0,0]=4 20 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56487 [0,0,0,1,0,0|2,0,0]=3 21 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56489 [0,0,0,1,0,0|2,0,0]=3 22 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 P10844 [0,0,0,1,0,0|2,0,0]=3 23 B14R2.68 C[C@@H]1CN[C@H](C2=CC=CC=C2)CO1 83568 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 AB9890 [0,0,0,1,0,0|2,0,1]=4 25 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77666 [0,0,0,1,0,0|1,0,0]=2 26 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P17213 [0,0,0,1,0,0|1,0,0]=2 27 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 C75481 [0,0,0,1,0,0|3,0,0]=4 28 B14R2.68 O=C1CO[C@H](C2=CC=CC=C2)CN1 O11626 [0,0,0,1,0,0|2,0,0]=3 29 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 84300 [0,0,0,1,0,0|1,0,2]=4 30 B14R2.279 N[C@@H]1C(=O)NCCC2=C1C=CC=C2 C15419 [0,0,0,1,0,0|2,0,0]=3 31 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 P10066 [0,0,0,1,0,0|3,0,0]=4 32 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [0,0,0,0,1,0|0,0,2]=3 33 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,0,0,0,1,0|1,0,0]=2 34 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,0,0,0,1,0|2,0,0]=3 35 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,0,0,0,1,0|2,0,0]=3 36 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [0,0,0,0,1,0|2,0,1]=4 37 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,0,0,0,1,0|1,0,0]=2 38 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [2,0,0,0,0,0|1,0,1]=4 42 B11R1.28 ICCOCC1=CC=CC=C1 70075 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [2,0,0,0,0,0|2,0,0]=4 44 B13R1.6 CCCCCCC1=CC=CC(N)=C1 F18190 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.28 CCNCCNCC1=CC=CC=C1 AB2653 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 A12538 [1,1,0,0,0,0|0,0,2]=4 47 B13R1.45 NC(=O)OC[C@H](O)C1=CC=CC=C1 D93074 [1,1,0,0,0,0|1,0,0]=3 48 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72702 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72703 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10513 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.149 CC(=O)NCCC1=CC(O)=CC=C1 F19957 [1,1,0,0,0,0|1,0,0]=3 52 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 AB9372 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.158 CC(=O)NCCC1=C(Br)C=CC=C1 W16283 [1,1,0,0,0,0|1,0,0]=3 54 B13R1.158 O=C(O)CCCC1=C(Br)C=CC=C1 29554 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [1,1,0,0,0,0|1,0,1]=4 56 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 72184 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.513 CC(=O)NCCC1=CC=C(N)C=C1 AB10208 [1,1,0,0,0,0|1,0,0]=3 60 B13R1.3523 CS(=O)(=O)NCCC1=CC=CC=C1 W10643 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,1,0,0,1,0|1,0,1]=4 62 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 Y11662 [0,1,0,0,1,0|1,0,0]=3 63 B13R1.11 COC(=O)C[C@H](N)C1=CN=CC=C1 30406 [0,1,0,0,1,0|2,0,0]=4 64 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 N11169 [0,1,0,0,1,0|2,0,0]=4 65 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [0,1,0,0,1,0|1,0,0]=3 66 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.14 COC(=O)CCC1=CN=C(N)C=C1 76336 [0,1,0,0,1,0|2,0,0]=4 68 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 C14201 [0,1,0,0,1,0|2,0,0]=4 69 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 C75289 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 Y10606 [0,1,0,0,1,0|1,0,0]=3 71 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 AB9718 [0,1,0,0,1,0|1,0,0]=3 72 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 75430 [0,1,0,0,1,0|1,0,1]=4 73 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 C72746 [0,1,0,0,1,0|1,0,0]=3 74 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 D97565 [0,1,0,0,1,0|1,0,0]=3 75 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [0,1,0,0,1,0|1,0,0]=3 76 B13R1.135 COC(=O)[C@@H](N)CC1=CC=NC=C1 Y13030 [0,1,0,0,1,0|2,0,0]=4 77 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 74539 [0,1,0,0,1,0|2,0,0]=4 78 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 Y12123 [0,1,0,0,1,0|2,0,0]=4 79 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl F10924 [0,1,0,0,1,0|1,0,0]=3 80 B15R1.778 CCOC(=O)\C=C\OCC1=CC=CC=C1 W16261 [0,1,0,0,0,1|1,0,1]=4 81 B15R1.778 N#CCC(=O)NCCCC1=CC=CC=C1 W18397 [0,1,0,0,0,1|1,0,1]=4 82 B15R1.206 COC(=O)CCCC1=CC=C(OC)C=C1 O11919 [0,2,0,0,0,0|2,0,0]=4 83 B15R1.3836 COC(=O)CCCC1=C(F)C=C(F)C=C1 21252 [0,2,0,0,0,0|2,0,0]=4 84 B15R1.89 CCOC(=O)CCC(=O)C1=CC=CC=C1 20538 [0,2,0,0,0,0|1,0,1]=4 85 B15R1.89 CCOC(=O)\C=N/[C@@H](C)C1=CC=CC=C1 C13156 [0,2,0,0,0,0|2,0,0]=4 86 B15R1.157 CCCCC(=O)OCCC1=CC=CC=C1 A12817 [0,2,0,0,0,0|0,0,0]=2 87 B15R1.633 CCOC(=O)CCCC1=CC(O)=CC=C1 61952 [0,2,0,0,0,0|1,0,0]=3 88 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 82566 [0,2,0,0,0,0|1,0,1]=4 89 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59523 [1,0,0,1,0,0|1,0,1]=4 90 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59524 [1,0,0,1,0,0|1,0,1]=4 91 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 83644 [1,0,0,1,0,0|1,0,1]=4 92 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 C78600 [1,0,0,1,0,0|2,0,0]=4 93 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 C75091 [1,0,0,1,0,0|1,0,0]=3 94 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 C74345 [1,0,0,1,0,0|1,0,1]=4 95 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [1,0,0,1,0,0|2,0,0]=4 96 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [1,0,0,1,0,0|1,0,0]=3 97 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [1,0,0,1,0,0|1,0,0]=3 98 B13R2.10 O=C1C[C@H](C2=CN=CC=C2)CN1 F13637 [1,0,0,1,0,0|2,0,0]=4 99 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [1,0,0,1,0,0|2,0,0]=4 100 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [1,0,0,1,0,0|1,1,0]=4 101 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 67222 [1,0,0,1,0,0|1,0,0]=3 102 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [1,0,0,1,0,0|2,0,0]=4 103 B13R2.163 O=C1NCCC2=C(C=CC=C2)N1 F21129 [1,0,0,1,0,0|2,0,0]=4 104 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [1,0,0,1,0,0|2,0,0]=4 106 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [0,0,0,1,1,0|1,0,0]=3 107 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 70707 [0,0,0,1,1,0|2,0,0]=4 108 B15R2.29 CC1=CCN(CC2=CC=CC=C2)CC1 75175 [0,0,0,1,0,1|2,0,0]=4 109 B15R2.29 CC1=CCN(CC2=CC=CC=C2)CC1 W17893 [0,0,0,1,0,1|2,0,0]=4 110 B15R2.29 O=C1CCC(OC2=CC=CC=C2)CC1 F11807 [0,0,0,1,0,1|1,0,0]=3 111 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 23423 [0,0,0,1,0,1|2,0,0]=4 112 B15R2.29 O=C1CCN(CC2=NC=CC=C2)CC1 23655 [0,0,0,1,0,1|2,0,0]=4 113 B15R2.79765 COC(=O)[C@@H]1CNCC2=C1C=CC=C2 W15427 [0,0,0,1,0,1|2,0,0]=4 114 B15R2.79765 COC(=O)[C@@H]1NCCC2=C1C=CC=C2 AC2362 [0,0,0,1,0,1|2,0,0]=4 115 B15R2.3 O=C1CCC(C2=CC=C(Br)C=C2)CC1 C76712 [0,1,0,1,0,0|1,0,0]=3 116 B15R2.3 O=C1CO[C@H](C2=CC=C(Cl)C=C2)CN1 W16214 [0,1,0,1,0,0|2,0,0]=4 117 B15R2.1 ON=C1CCC(C2=CC=CC=C2)CC1 20608 [0,1,0,1,0,0|1,0,1]=4 118 B15R2.96 C[C@@]1(C2=CC=CC=C2)C=CC(=O)CC1 C73334 [0,1,0,1,0,0|1,0,1]=4 119 B15R2.1596 COC(=O)C1CC(C2=CC=CC=C2)C1 F30724 [0,1,0,1,0,0|2,0,0]=4 120 B15R2.31 O=C1COC[C@H](CC2=CC=CC=C2)N1 W16215 [0,1,0,1,0,0|1,0,0]=3 121 B15R2.325 C[C@H]1CC(=O)CN1CC2=CC=CC=C2 F50540 [0,1,0,1,0,0|2,0,0]=4 122 B15R2.1342 CCOC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P20717 [0,1,0,1,0,0|1,0,0]=3 123 B15R2.1569 COC(=O)C[C@H]1CC2=C(C=CC=C2)N1 D95150 [0,1,0,1,0,0|2,0,0]=4 124 B15R2.1601 COC(=O)C1=CC2=C(C=CC=C2)CC1 W11170 [0,1,0,1,0,0|2,0,0]=4 125 B15R2.1601 COC(=O)[C@@H]1CCC2=C(C=CC=C2)N1 69677 [0,1,0,1,0,0|2,0,0]=4 126 B15R2.15770 CN1CCC2=C(C=CC=C2)[C@H](N)C1=O I11701 [0,1,0,1,0,0|2,0,0]=4 127 B15R2.308 O=C1CC[C@H](C2=C(Cl)C=CC=C2)CN1 AC1985 [0,1,0,1,0,0|1,0,0]=3 128 B15R2.28 O=C1CCC(C2=CC=CC(Cl)=C2)CC1 C71200 [0,1,0,1,0,0|1,0,0]=3 129 B15R2.28 O=C1CCC(C2=CC=CC(F)=C2)CC1 C75049 [0,1,0,1,0,0|1,0,0]=3 130 B15R2.28 O=C1CC[C@H](C2=CC=CC(Cl)=C2)CN1 AC1991 [0,1,0,1,0,0|1,0,0]=3 131 B15R2.19094 COC(=O)[C@@H]1CCC2=C1C=CC(Br)=C2 82664 [0,1,0,1,0,0|2,0,0]=4 132 B15R3.2009 O=C1N[C@@H]2C3=C(C=CC=C3)C[C@@H]2O1 AC8176 [0,0,0,2,0,0|1,0,0]=3 133 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [1,0,0,0,1,0|0,0,2]=4 134 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,0,0,0,1,0|1,0,1]=4 135 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [1,0,0,0,1,0|2,0,0]=4 136 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [1,0,0,0,1,0|2,0,0]=4 137 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [1,0,0,0,1,0|2,0,0]=4 138 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,0,0,0,1,0|1,0,0]=3 139 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,0,0,0,1,0|2,0,0]=4 140 B11R1.25 COC(=O)CCC1=CC=CN1 RB3088 [0,0,0,0,2,0|2,0,0]=4 141 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,0,0,0,2,0|2,0,0]=4 142 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,0,0,0,2,0|1,0,0]=3 143 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,0,0,0,2,0|2,0,0]=4 144 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,0,0,0,2,0|1,0,0]=3 145 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,0,0,0,2,0|2,0,0]=4 146 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,0,0,0,2,0|2,0,0]=4 147 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,0,0,0,2,0|2,0,0]=4 148 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,0,0,0,2,0|1,0,0]=3 149 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,0,0,0,2,0|2,0,0]=4 150 B15R1.962 COC(=O)CCCNCC1=CC=CC=C1 W10020 [0,0,0,0,0,2|2,0,0]=4 151 B15R1.962 COC(=O)CCCOCC1=CC=CC=C1 A10009 [0,0,0,0,0,2|2,0,0]=4 152 B15R1.962 NCC(=O)NCCCCC1=CC=CC=C1 W16420 [0,0,0,0,0,2|2,0,0]=4