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|1,0,0]=1 2 B13R1.718 COC(=O)NOCC1=CC=CC=C1 W13562 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 67393 [0,0,0,0,0,0|0,0,2]=2 4 B13R1.718 O=C(CCl)OCCC1=CC=CC=C1 D94805 [0,0,0,0,0,0|3,0,0]=3 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|1,0,0]=2 9 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [1,0,0,0,0,0|1,0,0]=2 11 B14R1.13 COC(=O)CCCC1=CC=C(F)C=C1 D84523 [0,1,0,0,0,0|0,0,0]=1 12 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 34043 [0,1,0,0,0,0|0,0,0]=1 13 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 32658 [0,1,0,0,0,0|1,0,0]=2 14 B14R1.13 COC(=O)C\C=C\C1=CC=C(F)C=C1 D84531 [0,1,0,0,0,0|0,0,2]=3 15 B14R1.13 COC(=O)\C=C\CC1=CC=C(O)C=C1 66203 [0,1,0,0,0,0|0,0,2]=3 16 B14R1.520 CCOC(=O)CNCC1=NC=CC=C1 T72721 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.743 COC(=O)CC(=O)NC1=CC=NC=C1 A51228 [0,1,0,0,0,0|2,0,1]=4 18 B14R1.756 COC(=O)C(=O)\C=C\C1=CC=CC=C1 S11384 [0,1,0,0,0,0|0,0,3]=4 19 B14R1.756 COC(=O)[C@@H](N)\C=C\C1=CC=CC=C1 59851 [0,1,0,0,0,0|0,0,2]=3 20 B14R1.756 COC(=O)[C@H](C)OCC1=CC=CC=C1 C12989 [0,1,0,0,0,0|1,0,0]=2 21 B14R1.6449 CC(C)C(=O)NCCC1=CC=CC=C1 AB9882 [0,1,0,0,0,0|2,0,0]=3 22 B14R1.6449 C[C@H](O)C(=O)OCCC1=CC=CC=C1 73762 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.19 C=C1CCN(CC2=CC=CC=C2)C1 W16256 [0,0,0,1,0,0|3,0,0]=4 24 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56487 [0,0,0,1,0,0|1,1,0]=3 25 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56489 [0,0,0,1,0,0|1,1,0]=3 26 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 P10844 [0,0,0,1,0,0|2,0,0]=3 27 B14R2.68 C[C@@H]1CN[C@H](C2=CC=CC=C2)CO1 83568 [0,0,0,1,0,0|2,0,1]=4 28 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 AB9890 [0,0,0,1,0,0|2,0,1]=4 29 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77666 [0,0,0,1,0,0|1,0,0]=2 30 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P17213 [0,0,0,1,0,0|1,0,0]=2 31 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 C75481 [0,0,0,1,0,0|3,0,0]=4 32 B14R2.68 O=C1CO[C@H](C2=CC=CC=C2)CN1 O11626 [0,0,0,1,0,0|2,0,0]=3 33 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 84300 [0,0,0,1,0,0|1,0,2]=4 34 B14R2.95 COC(=O)C1=C2C=CC=CC2=CN1 F30575 [0,0,0,1,0,0|1,0,2]=4 35 B14R2.279 N[C@@H]1C(=O)NCCC2=C1C=CC=C2 C15419 [0,0,0,1,0,0|3,0,0]=4 36 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 P10066 [0,0,0,1,0,0|2,0,0]=3 37 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [0,0,0,0,1,0|2,0,1]=4 38 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,0,0,0,1,0|2,0,0]=3 39 B12R1.27 COC(=O)C#CC1=NC=CC=C1 W12522 [0,0,0,0,1,0|1,0,2]=4 40 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,0,0,0,1,0|1,0,0]=2 41 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,0,0,0,1,0|1,0,0]=2 42 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [0,0,0,0,1,0|1,0,2]=4 43 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,0,0,0,1,0|2,0,0]=3 44 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [2,0,0,0,0,0|1,0,1]=4 45 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [2,0,0,0,0,0|1,0,1]=4 46 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.28 OCCCCC1=NC=CC=C1 30660 [2,0,0,0,0,0|1,0,1]=4 50 B13R1.6 CCCCCCC1=CC=CC(N)=C1 F18190 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.28 CCNCCNCC1=CC=CC=C1 AB2653 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 D97314 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.45 NC(=O)OC[C@H](O)C1=CC=CC=C1 D93074 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72702 [1,1,0,0,0,0|0,0,0]=2 55 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72703 [1,1,0,0,0,0|0,0,0]=2 56 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10513 [1,1,0,0,0,0|0,0,0]=2 57 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 D81437 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.149 CC(=O)NCCC1=CC(O)=CC=C1 F19957 [1,1,0,0,0,0|1,0,0]=3 59 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 AC1695 [1,1,0,0,0,0|1,0,0]=3 60 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 AB9372 [1,1,0,0,0,0|0,0,0]=2 61 B13R1.149 O=C(O)CCNC1=CC=CC(Cl)=N1 D70940 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 29126 [1,1,0,0,0,0|1,0,0]=3 63 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 AC1669 [1,1,0,0,0,0|1,0,0]=3 64 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 AC1671 [1,1,0,0,0,0|1,0,0]=3 65 B13R1.149 O=C(O)C\C=C\C1=CC=CC(F)=C1 21126 [1,1,0,0,0,0|0,0,2]=4 66 B13R1.158 CC(=O)NCCC1=C(Br)C=CC=C1 W16283 [1,1,0,0,0,0|1,0,0]=3 67 B13R1.158 O=C(O)CCCC1=C(Br)C=CC=C1 29554 [1,1,0,0,0,0|0,0,0]=2 68 B13R1.158 O=C(O)CCNC1=C(I)C=CC=C1 C90469 [1,1,0,0,0,0|1,0,0]=3 69 B13R1.158 O=C(O)CCOC1=C(Cl)C=CC=C1 W12416 [1,1,0,0,0,0|1,0,0]=3 70 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 30855 [1,1,0,0,0,0|1,0,0]=3 71 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [1,1,0,0,0,0|0,0,1]=3 72 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53132 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [1,1,0,0,0,0|0,0,0]=2 74 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [1,1,0,0,0,0|0,0,0]=2 75 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O 60095 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 72184 [1,1,0,0,0,0|0,0,0]=2 77 B13R1.513 CC(=O)NCCC1=CC=C(N)C=C1 AB10208 [1,1,0,0,0,0|1,0,0]=3 78 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 C77069 [1,1,0,0,0,0|1,0,0]=3 79 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 D86561 [1,1,0,0,0,0|1,0,0]=3 80 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 71386 [1,1,0,0,0,0|1,0,0]=3 81 B13R1.3523 CS(=O)(=O)NCCC1=CC=CC=C1 W10643 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,1,0,0,1,0|1,0,1]=4 83 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 Y11662 [0,1,0,0,1,0|0,0,0]=2 84 B13R1.11 COC(=O)C[C@H](N)C1=CN=CC=C1 30406 [0,1,0,0,1,0|1,0,0]=3 85 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 N11169 [0,1,0,0,1,0|1,0,0]=3 86 B13R1.14 COC(=O)C#CC1=CC=C(F)C=C1 F15255 [0,1,0,0,1,0|0,0,2]=4 87 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [0,1,0,0,1,0|0,0,0]=2 88 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [0,1,0,0,1,0|0,0,0]=2 89 B13R1.14 COC(=O)CCC1=CN=C(N)C=C1 76336 [0,1,0,0,1,0|1,0,0]=3 90 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 C14201 [0,1,0,0,1,0|1,0,0]=3 91 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 C75289 [0,1,0,0,1,0|1,0,0]=3 92 B13R1.14 COC(=O)COC1=CN=C(Cl)C=C1 AC2367 [0,1,0,0,1,0|2,0,0]=4 93 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 Y10606 [0,1,0,0,1,0|0,0,0]=2 94 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 AB9718 [0,1,0,0,1,0|0,0,0]=2 95 B13R1.15 COC(=O)\C=C\C1=CC(C)=CC=C1 W11679 [0,1,0,0,1,0|0,0,2]=4 96 B13R1.15 COC(=O)\C=C\C1=CC(O)=CC=C1 A11407 [0,1,0,0,1,0|0,0,2]=4 97 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 75430 [0,1,0,0,1,0|0,0,1]=3 98 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 C72746 [0,1,0,0,1,0|1,0,0]=3 99 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 D97565 [0,1,0,0,1,0|0,0,0]=2 100 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [0,1,0,0,1,0|0,0,0]=2 101 B13R1.135 COC(=O)[C@@H](N)CC1=CC=NC=C1 Y13030 [0,1,0,0,1,0|1,0,0]=3 102 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 74539 [0,1,0,0,1,0|1,0,0]=3 103 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 Y12123 [0,1,0,0,1,0|1,0,0]=3 104 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl F10924 [0,1,0,0,1,0|2,0,0]=4 105 B13R1.528 COC(=O)\C=C\C1=C(C)C=CC=C1 W11677 [0,1,0,0,1,0|0,0,2]=4 106 B13R1.528 COC(=O)\C=C\C1=C(F)C=CC=C1 W11676 [0,1,0,0,1,0|0,0,2]=4 107 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 S10571 [0,1,0,0,1,0|0,0,2]=4 108 B13R1.404 CCOC(=O)CNCC1=CSC=C1 W11013 [0,1,0,0,1,0|2,0,0]=4 109 B15R1.741 COC(=O)CC(=O)NCC1=CC=CC=C1 W12493 [0,1,0,0,0,1|0,0,1]=3 110 B15R1.778 CCOC(=O)\C=C\OCC1=CC=CC=C1 W16261 [0,1,0,0,0,1|0,0,2]=4 111 B15R1.778 N#CCC(=O)NCCCC1=CC=CC=C1 W18397 [0,1,0,0,0,1|1,0,1]=4 112 B15R1.132 COC(=O)CCC(=O)C1=CC=C(Br)C=C1 O11918 [0,2,0,0,0,0|0,0,1]=3 113 B15R1.206 COC(=O)CCCC1=CC=C(OC)C=C1 O11919 [0,2,0,0,0,0|0,0,0]=2 114 B15R1.3836 COC(=O)CCCC1=C(F)C=C(F)C=C1 21252 [0,2,0,0,0,0|0,0,0]=2 115 B15R1.89 CCOC(=O)CCC(=O)C1=CC=CC=C1 20538 [0,2,0,0,0,0|0,0,1]=3 116 B15R1.89 CCOC(=O)\C=N/[C@@H](C)C1=CC=CC=C1 C13156 [0,2,0,0,0,0|1,0,1]=4 117 B15R1.133 COC(=O)CCC(=O)C1=CC=CC(F)=C1 A10182 [0,2,0,0,0,0|0,0,1]=3 118 B15R1.500 CN(C)C(=O)CCC(=O)C1=CC=CC=C1 D94218 [0,2,0,0,0,0|1,0,1]=4 119 B15R1.1094 COC(=O)CNS(=O)(=O)C1=CC=CC=C1 31428 [0,2,0,0,0,0|2,0,0]=4 120 B15R1.5815 COC(=O)CCC(=O)C1=C(F)C=CC=C1 AB10158 [0,2,0,0,0,0|0,0,1]=3 121 B15R1.157 CCCCC(=O)OCCC1=CC=CC=C1 A12817 [0,2,0,0,0,0|2,0,0]=4 122 B15R1.633 CCOC(=O)CCCC1=CC(O)=CC=C1 61952 [0,2,0,0,0,0|0,0,0]=2 123 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 82566 [0,2,0,0,0,0|0,0,1]=3 124 B15R1.1370 COC(=O)[C@H](CO)NCC1=CC=CC=C1 30517 [0,2,0,0,0,0|1,0,0]=3 125 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59523 [1,0,0,1,0,0|1,0,1]=4 126 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59524 [1,0,0,1,0,0|1,0,1]=4 127 B13R2.64 C1=CC=C(CN2CCOC2)C=C1 T70230 [1,0,0,1,0,0|1,0,1]=4 128 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 C78600 [1,0,0,1,0,0|1,0,1]=4 129 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 C75091 [1,0,0,1,0,0|2,0,0]=4 130 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 C73722 [1,0,0,1,0,0|1,0,1]=4 131 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [1,0,0,1,0,0|1,0,1]=4 132 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [1,0,0,1,0,0|1,0,0]=3 133 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [1,0,0,1,0,0|0,0,0]=2 134 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [1,0,0,1,0,0|0,0,0]=2 135 B13R2.10 O=C1C[C@H](C2=CN=CC=C2)CN1 F13637 [1,0,0,1,0,0|2,0,0]=4 136 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [1,0,0,1,0,0|1,0,0]=3 137 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [1,0,0,1,0,0|2,0,0]=4 138 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67223 [1,0,0,1,0,0|1,0,1]=4 139 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 67222 [1,0,0,1,0,0|0,0,0]=2 140 B13R2.31 OC1CC(CC2=CC=CC=C2)C1 67206 [1,0,0,1,0,0|0,0,2]=4 141 B13R2.72 NC(=O)[C@@H]1NCC2=C1C=CC=C2 D84861 [1,0,0,1,0,0|2,0,0]=4 142 B13R2.72 O=C(O)[C@@H]1CNC2=C1C=CC=C2 60540 [1,0,0,1,0,0|1,0,0]=3 143 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F31040 [1,0,0,1,0,0|1,0,0]=3 144 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F52104 [1,0,0,1,0,0|1,0,0]=3 145 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 Y10427 [1,0,0,1,0,0|1,0,0]=3 146 B13R2.163 O=C1CCCC2=CC=CN=C2N1 C76110 [1,0,0,1,0,0|2,0,0]=4 147 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [1,0,0,1,0,0|1,0,0]=3 148 B13R2.163 O=C1NCCC2=C(C=CC=C2)N1 F21129 [1,0,0,1,0,0|2,0,0]=4 149 B13R2.423 O=C(Cl)[C@H]1C[C@@H]1C2=NC=CC=C2 AT21498 [1,0,0,1,0,0|2,0,0]=4 150 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 F52568 [1,0,0,1,0,0|1,0,0]=3 151 B13R2.423 O=C(O)C1CC1C2=CN=CC=C2 F52567 [1,0,0,1,0,0|1,0,0]=3 152 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 Y10094 [1,0,0,1,0,0|1,0,0]=3 153 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [1,0,0,1,0,0|0,0,0]=2 154 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [1,0,0,1,0,0|0,0,0]=2 155 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 84939 [1,0,0,1,0,0|1,0,0]=3 156 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 C93523 [1,0,0,1,0,0|1,0,0]=3 157 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT10071 [1,0,0,1,0,0|1,0,0]=3 158 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT22878 [1,0,0,1,0,0|1,0,0]=3 159 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 91719 [1,0,0,1,0,0|1,0,0]=3 160 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 AT22087 [1,0,0,1,0,0|1,0,0]=3 161 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [0,0,0,1,1,0|1,0,0]=3 162 B15R2.4 COC(=O)CC1=NNC2=C1C=CC=C2 S11844 [0,0,0,1,0,1|1,0,1]=4 163 B15R2.4 COC(=O)CC1=NOC2=C1C=CC=C2 A10069 [0,0,0,1,0,1|1,0,1]=4 164 B15R2.29 CC1=CCN(CC2=CC=CC=C2)CC1 75175 [0,0,0,1,0,1|2,0,0]=4 165 B15R2.29 CC1=CCN(CC2=CC=CC=C2)CC1 W17893 [0,0,0,1,0,1|2,0,0]=4 166 B15R2.29 O=C1CCC(OC2=CC=CC=C2)CC1 F11807 [0,0,0,1,0,1|1,0,0]=3 167 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 23423 [0,0,0,1,0,1|2,0,0]=4 168 B15R2.29 O=C1CCN(CC2=NC=CC=C2)CC1 23655 [0,0,0,1,0,1|2,0,0]=4 169 B15R2.79765 COC(=O)[C@@H]1CNCC2=C1C=CC=C2 W15427 [0,0,0,1,0,1|0,0,0]=2 170 B15R2.79765 COC(=O)[C@@H]1NCCC2=C1C=CC=C2 AC2362 [0,0,0,1,0,1|0,0,0]=2 171 B15R2.3 O=C1CCC(C2=CC=C(Br)C=C2)CC1 C76712 [0,1,0,1,0,0|1,0,0]=3 172 B15R2.3 O=C1CO[C@H](C2=CC=C(Cl)C=C2)CN1 W16214 [0,1,0,1,0,0|2,0,0]=4 173 B15R2.1 ON=C1CCC(C2=CC=CC=C2)CC1 20608 [0,1,0,1,0,0|1,0,1]=4 174 B15R2.96 C[C@@]1(C2=CC=CC=C2)C=CC(=O)CC1 C73334 [0,1,0,1,0,0|1,0,1]=4 175 B15R2.1596 COC(=O)C1CC(C2=CC=CC=C2)C1 F30724 [0,1,0,1,0,0|0,0,0]=2 176 B15R2.31 O=C1COC[C@H](CC2=CC=CC=C2)N1 W16215 [0,1,0,1,0,0|1,0,0]=3 177 B15R2.325 C[C@H]1CC(=O)CN1CC2=CC=CC=C2 F50540 [0,1,0,1,0,0|2,0,0]=4 178 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 30826 [0,1,0,1,0,0|1,0,1]=4 179 B15R2.1342 CCOC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P20717 [0,1,0,1,0,0|0,0,0]=2 180 B15R2.1569 COC(=O)CN1N=C2C=CC=CC2=N1 AB7456 [0,1,0,1,0,0|2,0,0]=4 181 B15R2.1569 COC(=O)C[C@H]1CC2=C(C=CC=C2)N1 D95150 [0,1,0,1,0,0|0,0,0]=2 182 B15R2.1601 COC(=O)C1=CC2=C(C=CC=C2)CC1 W11170 [0,1,0,1,0,0|0,0,1]=3 183 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 F14149 [0,1,0,1,0,0|1,0,0]=3 184 B15R2.1601 COC(=O)[C@@H]1CCC2=C(C=CC=C2)N1 69677 [0,1,0,1,0,0|0,0,0]=2 185 B15R2.308 O=C1CC[C@H](C2=C(Cl)C=CC=C2)CN1 AC1985 [0,1,0,1,0,0|1,0,0]=3 186 B15R2.28 O=C1CCC(C2=CC=CC(Cl)=C2)CC1 C71200 [0,1,0,1,0,0|1,0,0]=3 187 B15R2.28 O=C1CCC(C2=CC=CC(F)=C2)CC1 C75049 [0,1,0,1,0,0|1,0,0]=3 188 B15R2.28 O=C1CC[C@H](C2=CC=CC(Cl)=C2)CN1 AC1991 [0,1,0,1,0,0|1,0,0]=3 189 B15R2.19094 COC(=O)[C@@H]1CCC2=C1C=CC(Br)=C2 82664 [0,1,0,1,0,0|0,0,0]=2 190 B15R3.2009 O=C1N[C@@H]2C3=C(C=CC=C3)C[C@@H]2O1 AC8176 [0,0,0,2,0,0|2,0,0]=4 191 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [1,0,0,0,1,0|0,0,2]=4 192 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,0,0,0,1,0|1,0,1]=4 193 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [1,0,0,0,1,0|2,0,0]=4 194 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [1,0,0,0,1,0|2,0,0]=4 195 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [1,0,0,0,1,0|2,0,0]=4 196 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [1,0,0,0,1,0|2,0,0]=4 197 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [1,0,0,0,1,0|2,0,0]=4 198 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [1,0,0,0,1,0|2,0,0]=4 199 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [1,0,0,0,1,0|2,0,0]=4 200 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [1,0,0,0,1,0|2,0,0]=4 201 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,0,0,0,1,0|0,0,1]=3 202 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,0,0,0,1,0|1,0,1]=4 203 B11R1.25 COC(=O)CCC1=CC=CN1 RB3088 [0,0,0,0,2,0|1,0,0]=3 204 B11R1.25 COC(=O)CCC1=CNC=N1 W12407 [0,0,0,0,2,0|2,0,0]=4 205 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,0,0,0,2,0|2,0,0]=4 206 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,0,0,0,2,0|2,0,0]=4 207 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,0,0,0,2,0|1,0,0]=3 208 B11R1.40 COC(=O)CC1=NC=NC=C1 P11690 [0,0,0,0,2,0|2,0,0]=4 209 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,0,0,0,2,0|2,0,0]=4 210 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,0,0,0,2,0|2,0,0]=4 211 B15R1.962 COC(=O)CCCNCC1=CC=CC=C1 W10020 [0,0,0,0,0,2|0,0,0]=2 212 B15R1.962 COC(=O)CCCOCC1=CC=CC=C1 A10009 [0,0,0,0,0,2|0,0,0]=2 213 B15R1.962 NCC(=O)NCCCCC1=CC=CC=C1 W16420 [0,0,0,0,0,2|2,0,0]=4