0 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 OR17914 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 OR346330 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 OR14083 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.42 N#CCC(=O)NCC1=CC=CN=C1 OR14105 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.42 N#CCC(=O)OCC1=CC=CC=C1 OR2049 [0,0,0,0,0,0|1,0,1]=2 5 B12R1.8 BrCCCCCC1=CC=CC=C1 OR8183 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.8 BrCCCOCC1=CC=CC=C1 OR22888 [1,0,0,0,0,0|1,0,1]=3 7 B12R1.8 CNCCCCC1=CC=CC=C1 OR12593 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.8 N#CCCOCC1=CC=CC=C1 OR110744 [1,0,0,0,0,0|1,0,2]=4 9 B12R1.8 NCCCNCC1=CC=CC=C1 OR301059 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 OR315220 [1,0,0,0,0,0|0,0,2]=3 11 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 OR30622 [1,0,0,0,0,0|1,0,2]=4 12 B12R1.27 COC(=O)CCC1=CC=CC=C1 OR30978 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.27 NNC(=O)OCC1=CC=CC=C1 OR7846 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 OR10827 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 OR4110 [1,0,0,0,0,0|2,0,0]=3 16 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 OR4787 [0,1,0,0,0,0|2,0,1]=4 17 B14R1.156 C=CCNC(=O)OCC1=CC=CC=C1 OR28285 [0,1,0,0,0,0|0,0,2]=3 18 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 OR52103 [0,1,0,0,0,0|1,0,0]=2 19 B14R1.502 CC1=CC=C(CNC(=O)CC#N)C=C1 OR14109 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 OR8094 [0,1,0,0,0,0|2,0,0]=3 21 B14R1.502 CCOC(=O)CNC1=CC=C(I)C=C1 OR8095 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.502 CCOC(=O)COC1=CC=C(Br)C=C1 OR8536 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.502 N#CCC(=O)NCC1=CC=C(Cl)C=C1 OR14407 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.756 COC(=O)C(=O)CCC1=CC=CC=C1 OR1986 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 OR54477 [0,1,0,0,0,0|1,0,1]=3 26 B14R2.30 O=C1C=CCN1CC2=CC=CC=C2 OR51945 [0,0,0,1,0,0|1,0,2]=4 27 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 OR55077 [0,0,0,1,0,0|1,0,0]=2 28 B14R2.101 C1=CC=C(CCC2CCCN2)C=C1 OR12513 [0,0,0,1,0,0|2,0,1]=4 29 B14R2.101 C1=CC=C(COC2CCNC2)C=C1 OR54373 [0,0,0,1,0,0|2,0,1]=4 30 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 OR317118 [0,0,0,1,0,0|2,0,1]=4 31 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 OR10970 [0,0,0,1,0,0|1,0,0]=2 32 B12R1.32 CCOC(=O)CC1=CC=CN=C1 OR46218 [0,0,0,0,1,0|2,0,0]=3 33 B12R1.32 CCOC(=O)CC1=NC=CC=C1 OR24900 [0,0,0,0,1,0|2,0,0]=3 34 B12R1.32 CN(CCCl)CC1=CC=CC=C1 OR61419 [0,0,0,0,1,0|3,0,0]=4 35 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 OR2367 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.28 BrCCCCC1=CC=CC=C1 OR8178 [2,0,0,0,0,0|1,0,1]=4 37 B11R1.28 CCCCCC1=NC=CC=C1 OR27869 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.28 CCCCNC1=CC=CC=C1 OR18275 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.28 CNCCCC1=CC=CC=C1 OR12552 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.28 CNCCOC1=CC=CC=C1 OR0179 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.28 ClCCNCC1=CC=CC=C1 OR24839 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.28 NCCCCC1=CC=CC=C1 OR5084 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.28 NCCNCC1=CC=CC=C1 OR28924 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.28 NCCOCC1=CC=CC=C1 OR14357 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.28 NCCOCC1=CC=CC=C1 OR51851 [2,0,0,0,0,0|1,0,0]=3 46 B11R1.28 O=CCOCC1=CC=CC=C1 OR43518 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.28 OCCCCC1=CC=CC=C1 OR0769 [2,0,0,0,0,0|1,0,1]=4 48 B11R1.91 CC(=O)CSC1=CC=CC=C1 OR8634 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.91 NC(=O)OCC1=CC=CC=C1 OR40596 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 OR28743 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.91 O=C(O)CCC1=CC=CC=C1 OR10046 [2,0,0,0,0,0|2,0,0]=4 52 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 OR21925 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.9 CCCCCCC1=CC=C(N)C=C1 OR22069 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.28 BrCCCCCCC1=CC=CC=C1 OR8181 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.718 CC(CO)COCC1=CC=CC=C1 OR8171 [1,1,0,0,0,0|1,0,1]=4 56 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 OR307134 [1,1,0,0,0,0|1,0,1]=4 57 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 OR40516 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 OR307133 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 OR40517 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.718 OCC(O)COCC1=CC=CC=C1 OR7701T [1,1,0,0,0,0|1,0,1]=4 61 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 OR315177 [1,1,0,0,0,0|1,0,1]=4 62 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 OR471312 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 OR52412 [1,1,0,0,0,0|0,0,0]=2 64 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 OR18284 [0,1,0,0,1,0|1,0,0]=3 65 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 OR5589 [0,1,0,0,1,0|1,0,0]=3 66 B13R1.19 CCOC(=O)CC1=CC=C(N)C=C1 OR10871 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 OR25735 [0,1,0,0,1,0|1,0,0]=3 68 B13R1.19 O=C(CCBr)NC1=CC=C(Br)C=C1 OR26966 [0,1,0,0,1,0|2,0,0]=4 69 B13R1.20 CCOC(=O)CC1=CC=CC(N)=N1 OR54597 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 OR6395 [0,1,0,0,1,0|1,0,1]=4 71 B13R1.47 CCOC(=O)C(Br)C1=CC=CC=C1 OR59981 [0,1,0,0,1,0|1,0,0]=3 72 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 OR0476 [0,1,0,0,1,0|1,0,0]=3 73 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 OR26810 [0,1,0,0,1,0|1,0,0]=3 74 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 OR302702 [0,1,0,0,1,0|1,0,0]=3 75 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=C1 OR26136 [0,1,0,0,1,0|1,0,0]=3 76 B13R1.470 CCOC(=O)CC1=NC=CC=C1N OR305412 [0,1,0,0,1,0|2,0,0]=4 77 B15R1.826 CCOC(=O)C(C)NCC1=CC=CC=C1 OR23741 [0,1,0,0,0,1|2,0,0]=4 78 B15R1.24 CCOC(=O)CC(N)C1=CC(O)=CC=C1 OR13248 [0,2,0,0,0,0|2,0,0]=4 79 B15R1.48 CCOC(=O)C(=O)CC1=CC=C(Cl)C=C1 OR1505 [0,2,0,0,0,0|2,0,0]=4 80 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 OR54485 [0,2,0,0,0,0|0,0,0]=2 81 B15R1.78 O=CCCNC(=O)OCC1=CC=CC=C1 OR13701 [0,2,0,0,0,0|0,0,1]=3 82 B15R1.793 CCOC(=O)CCC1=CC=C(OC)C=C1 OR53089 [0,2,0,0,0,0|2,0,0]=4 83 B15R1.348 CC(C)(CCl)C(=O)NCC1=CC=CC=C1 OR21635 [0,2,0,0,0,0|2,0,0]=4 84 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 OR2340 [1,0,0,1,0,0|1,0,1]=4 85 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 OR0819 [1,0,0,1,0,0|1,0,1]=4 86 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 OR13007 [1,0,0,1,0,0|1,0,1]=4 87 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 OR0894 [1,0,0,1,0,0|2,0,0]=4 88 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 OR43508 [1,0,0,1,0,0|2,0,0]=4 89 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 OR12786 [1,0,0,1,0,0|1,0,1]=4 90 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 OR321201 [1,0,0,1,0,0|1,0,1]=4 91 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 OR321200 [1,0,0,1,0,0|1,0,1]=4 92 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 OR12512 [1,0,0,1,0,0|2,0,0]=4 93 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 OR315270 [1,0,0,1,0,0|1,0,1]=4 94 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 OR41147 [1,0,0,1,0,0|2,0,0]=4 95 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 OR8745 [1,0,0,1,0,0|2,0,0]=4 96 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 OR8746 [1,0,0,1,0,0|2,0,0]=4 97 B13R2.26 CCCC1=NC2=CC=CC=C2N1 OR110235 [0,0,0,1,1,0|2,0,0]=4 98 B13R2.26 CCCC1=NC2=CC=CC=C2S1 OR110338 [0,0,0,1,1,0|1,1,0]=4 99 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)O1 OR1147 [0,0,0,1,1,0|1,0,1]=4 100 B15R2.31 O=C1C=C(NC2=CC=CC=C2)CCC1 OR1130 [0,0,0,1,0,1|1,0,1]=4 101 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 OR19575 [0,0,0,1,0,1|1,0,0]=3 102 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 OR59908 [0,0,0,1,0,1|1,0,0]=3 103 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCN1 OR4571 [0,0,0,1,0,1|2,0,0]=4 104 B15R2.55 O=C1CCCN1CCC2=CC=CC=C2 OR60028 [0,0,0,1,0,1|1,0,0]=3 105 B15R2.27 O=C1CC(=O)CC(C2=CC=CC=C2)C1 OR11080 [0,1,0,1,0,0|1,0,1]=4 106 B15R2.27 O=C1CC(=O)CC(C2=CC=CC=C2)C1 OR300698 [0,1,0,1,0,0|1,0,1]=4 107 B15R2.38 O=C1CCCCC1=CC2=CC=CC=C2 OR4726 [0,1,0,1,0,0|1,0,1]=4 108 B15R2.38 O=C1CCCCC1CC2=CC=CC=C2 OR6450 [0,1,0,1,0,0|1,0,0]=3 109 B15R2.327 CC1(C)OC(=O)N[C@@H]1C2=CC=CC=C2 OR40633 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.40 CNC(=O)CC1=CC=CC=C1 OR16469 [1,0,0,0,1,0|1,0,0]=3 111 B11R1.40 NNC(=O)CC1=CC=CC=C1 OR310651 [1,0,0,0,1,0|2,0,0]=4 112 B11R1.40 NNC(=O)OC1=CC=CC=C1 OR311140 [1,0,0,0,1,0|2,0,0]=4 113 B11R1.40 O=C(CCl)NC1=CC=CC=C1 OR3397 [1,0,0,0,1,0|2,0,0]=4 114 B11R1.40 O=C(NO)OC1=CC=CC=C1 OR310437 [1,0,0,0,1,0|2,0,0]=4 115 B11R1.16 CCCC(=O)C1=CC=CC=C1 OR60127 [0,0,0,0,2,0|0,0,0]=2 116 B11R1.16 CCOC(=O)C1=CC=NC=C1 OR1918 [0,0,0,0,2,0|2,0,0]=4 117 B11R1.16 CCOC(=O)C1=NC=CC=C1 OR4533 [0,0,0,0,2,0|2,0,0]=4 118 B11R1.16 N#CCC(=O)C1=CC=CC=C1 OR5834 [0,0,0,0,2,0|1,0,1]=4 119 B11R1.16 O=C(CCCl)C1=CC=CC=C1 OR2891 [0,0,0,0,2,0|1,0,0]=3 120 B11R1.16 O=C(CCCl)C1=CC=CC=C1 OR8787 [0,0,0,0,2,0|1,0,0]=3 121 B11R1.30 CCOC(=O)CC1=CC=CS1 OR14483 [0,0,0,0,2,0|2,0,0]=4 122 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 OR27775 [0,0,0,0,0,2|2,0,0]=4