0 B12R1.32 CCCC(=O)CC1=CC=CC=C1 F19922 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.32 CCNC(=O)OC1=CC=CC=C1 D92920 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.32 CCOC(=O)CC1=CC=CC=C1 D77783 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.32 CCOC(=O)CC1=CC=NC=C1 W12171 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.32 CCOC(=O)CC1=CN=CC=C1 TD8046 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.32 CCOC(=O)CC1=NC=CC=C1 28493 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.32 CCOC(=O)CC1=NC=CC=N1 24984 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.32 CCOC(=O)CC1=NC=CN=C1 50113 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.32 CN(CCN)CC1=CC=CC=C1 65355 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.32 CN(CCO)CC1=CC=CC=C1 D70360 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 90350 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 75523 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 57872 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 D84185 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.28 BrCCCCC1=CC=CC=C1 70737 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 BrCCOCC1=CC=CC=C1 29418 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.28 CCCC#CC1=CC=CC=C1 D97343 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.28 CCCCCC1=CC=CC=C1 D88261 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.28 CCCNCC1=CC=CC=C1 C78030 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.28 CCNCCC1=CC=CC=C1 F20148 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.28 CCO\C=N\C1=CC=CC=C1 H11958 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.28 CNCCCC1=CC=CC=C1 AR1442 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.28 CNC\C=C\C1=CC=CC=C1 A11412 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.28 ClCCCCC1=CC=CC=C1 D92122 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 ClCCNCC1=CC=CC=C1 AB2649 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.28 NCCCCC1=CC=CC=C1 D88381 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.28 NCCNCC1=CC=CC=C1 20546 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.28 NCCOCC1=CC=CC=C1 CL4561 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.28 NCCOCC1=CC=CC=C1 CL4570 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.28 OCCCCC1=CC=CC=C1 70774 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.28 OCCNCC1=CC=CC=C1 AC7917 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.28 OCCOCC1=CC=CC=C1 P17494 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.40 C=CC(=O)NC1=CC=CC=C1 C10642 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.40 C=CC(=O)OC1=CC=CC=C1 AC8636 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.40 CCC(=O)CC1=CC=CC=C1 75226 [1,0,0,0,0,0|0,0,0]=1 35 B11R1.40 CCC(=O)OC1=CC=CC=C1 C13913 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 D94692 [1,0,0,0,0,0|0,0,2]=3 37 B11R1.40 COC(=O)CC1=CC=CC=C1 D77850 [1,0,0,0,0,0|0,0,0]=1 38 B11R1.40 COC(=O)CC1=CC=NC=C1 28936 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.40 COC(=O)CC1=CN=CC=C1 AB11862 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.40 COC(=O)CC1=NC=CC=C1 63412 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.40 COC(=O)CC1=NC=CC=N1 30382 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.40 COC(=O)CC1=NC=CN=C1 50758 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.40 COC(=O)NC1=CC=CC=C1 D70137 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.40 COC(=O)OC1=CC=CC=C1 D71100 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.40 C[C@H](CO)CC1=CC=CC=C1 D86956 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.40 C\C(=C/C1=CC=CC=C1)CO W13161 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.40 N=C(CC1=CC=CC=C1)NO S10392 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR3947 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.40 NNC(=O)CC1=CC=CC=C1 AC1644 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 D81925 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.40 NNC(=O)NC1=CC=CC=C1 D91930 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 26243 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 26245 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 F10667 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.40 N\C(CC1=CC=CC=C1)=N\O W10704 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.40 O=C(CBr)NC1=CC=CC=C1 27931 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.40 O=C(CBr)OC1=CC=CC=C1 F14277 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.40 O=C(CCl)NC1=CC=CC=C1 W18660 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.40 O=C(CCl)NC1=CC=NC=C1 AC6855 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.40 O=C(CCl)NC1=NC=CC=C1 C15918 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.40 O=C(CI)NC1=CC=CC=C1 F53134 [1,0,0,0,0,0|2,0,0]=3 62 B13R1.19 CCCC(=O)NC1=CC=C(O)C=C1 D86519 [0,1,0,0,0,0|2,0,0]=3 63 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 AB3726 [0,1,0,0,0,0|0,0,0]=1 64 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 35772 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 O11742 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 AR2996 [0,1,0,0,0,0|0,0,0]=1 67 B13R1.19 CCOC(=O)CC1=CC=C(I)C=C1 AC2275 [0,1,0,0,0,0|0,0,0]=1 68 B13R1.19 CCOC(=O)CC1=CC=C(N)C=C1 L10030 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 20521 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.19 CCOC(=O)CC1=CN=C(Cl)C=C1 61900 [0,1,0,0,0,0|1,0,0]=2 71 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=C1 37597 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=N1 25091 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.19 CCO[C@H](C)OC1=CC=C(Br)C=C1 C15727 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.19 O=C(CCCl)NC1=CC=C(F)C=C1 AB10143 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.19 O=C(CCCl)NC1=CC=C(O)C=C1 57529 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.20 CCOC(=O)CC1=CC(C)=CC=C1 A50732 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.20 CCOC(=O)CC1=CC(O)=CC=C1 C11283 [0,1,0,0,0,0|0,0,0]=1 78 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=C1 AB3725 [0,1,0,0,0,0|0,0,0]=1 79 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=C1 60913 [0,1,0,0,0,0|0,0,0]=1 80 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=N1 F14053 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.20 CCOC(=O)CC1=CC=CC(F)=C1 AB7209 [0,1,0,0,0,0|0,0,0]=1 82 B13R1.20 CCOC(=O)CC1=NC(C)=CC=C1 72057 [0,1,0,0,0,0|1,0,0]=2 83 B13R1.20 CCOC(=O)NC1=CC(Br)=CN=C1 N10248 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.20 CCOC(=O)NC1=CC(O)=CC=C1 T72868 [0,1,0,0,0,0|1,0,0]=2 85 B13R1.44 C#CCNC(=O)NC1=CC=CC=C1 W16074 [0,1,0,0,0,0|2,0,1]=4 86 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 A50728 [0,1,0,0,0,0|0,0,1]=2 87 B13R1.44 C=CCOC(=O)OC1=CC=CC=C1 D83885 [0,1,0,0,0,0|1,0,1]=3 88 B13R1.44 CNCCN(C)CC1=CC=CC=C1 56100 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.44 NCCNC(=O)NC1=CC=CC=C1 AR2480 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.44 OCCNC(=S)NC1=CC=CC=C1 D97208 [0,1,0,0,0,0|2,1,0]=4 91 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 65828 [0,1,0,0,0,0|0,0,1]=2 92 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 28913 [0,1,0,0,0,0|0,0,1]=2 93 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 P10388 [0,1,0,0,0,0|1,0,1]=3 94 B13R1.47 CCOC(=O)[C@H](Br)C1=CC=CC=C1 F52714 [0,1,0,0,0,0|0,0,0]=1 95 B13R1.47 CCOC(=O)[C@H](Cl)C1=CC=CC=C1 D81904 [0,1,0,0,0,0|0,0,0]=1 96 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 75097 [0,1,0,0,0,0|0,0,0]=1 97 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 75098 [0,1,0,0,0,0|0,0,0]=1 98 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 D84366 [0,1,0,0,0,0|0,0,0]=1 99 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 D84612 [0,1,0,0,0,0|0,0,0]=1 100 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 28694 [0,1,0,0,0,0|0,0,0]=1 101 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 31175 [0,1,0,0,0,0|0,0,0]=1 102 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 N10371 [0,1,0,0,0,0|0,0,0]=1 103 B13R1.135 CON(C)C(=O)CC1=CC=CC=C1 F19927 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 D71255 [0,1,0,0,0,0|1,0,0]=2 105 B13R1.348 CC(C)C[C@H](O)CC1=CC=CC=C1 D91564 [0,1,0,0,0,0|1,0,2]=4 106 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=C1 AR3395 [0,1,0,0,0,0|0,0,0]=1 107 B13R1.470 CCOC(=O)CC1=C(C)C=CC=C1 A50731 [0,1,0,0,0,0|0,0,0]=1 108 B13R1.470 CCOC(=O)CC1=C(Cl)C=CC=C1 AR3392 [0,1,0,0,0,0|0,0,0]=1 109 B13R1.470 CCOC(=O)CC1=C(F)C=CC=C1 AB7208 [0,1,0,0,0,0|0,0,0]=1 110 B13R1.470 CCOC(=O)CC1=C(I)C=CC=C1 W17295 [0,1,0,0,0,0|0,0,0]=1 111 B13R1.470 CCOC(=O)CC1=C(O)C=CC=C1 S10848 [0,1,0,0,0,0|0,0,0]=1 112 B13R1.470 CCOC(=O)CC1=C(O)N=CN=C1 C10137 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.470 O=C(CCCl)NC1=C(F)C=CC=C1 A10066 [0,1,0,0,0,0|3,0,0]=4 114 B11R0.5 C=CCCC(=O)CC(=O)OCC D82674 [0,0,1,0,0,0|1,0,2]=4 115 B13R2.15 O=C1CCCN1C2=CC=CC=C2 AC1348 [0,0,0,1,0,0|2,0,0]=3 116 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 34833 [0,0,0,1,0,0|3,0,0]=4 117 B13R2.26 CCOC1=NC2=C(C=CC=C2)N1 F30799 [0,0,0,1,0,0|2,0,0]=3 118 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 FD7203 [0,0,0,1,0,0|2,0,0]=3 119 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 CL2811 [0,0,0,1,0,0|3,0,0]=4 120 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 AR1052 [0,0,0,1,0,0|2,0,1]=4 121 B13R2.135 CCN1C(=O)NC2=C1C=CC=C2 F16478 [0,0,0,1,0,0|2,0,0]=3 122 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 D84345 [0,0,0,1,0,0|2,0,1]=4 123 B13R2.135 CCN1C(C)=[SH]C2=C1C=CC=C2 D90527 [0,0,0,1,0,0|3,0,0]=4 124 B13R2.135 CCN1C(N)=NC2=C1C=CC=C2 D86955 [0,0,0,1,0,0|3,0,0]=4 125 B13R2.135 CC[N+]1=C(Cl)OC2=C1C=CC=C2 D89324 [0,0,0,1,0,0|3,0,0]=4 126 B13R2.163 O=C1CC2=C(C=CC=C2)C=CN1 32291 [0,0,0,1,0,0|1,0,2]=4 127 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 23936 [0,0,0,1,0,0|2,0,0]=3 128 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 25949 [0,0,0,1,0,0|3,0,0]=4 129 B13R2.328 CC1=CC(=O)NC2=C1C=CC=C2 F10377 [0,0,0,1,0,0|2,0,1]=4 130 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 F21267 [0,0,0,1,0,0|1,0,1]=3 131 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 S12335 [0,0,0,1,0,0|2,0,1]=4 132 B11R1.16 CCCC(=O)C1=CC=NC=C1 O10325 [0,0,0,0,1,0|2,0,0]=3 133 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 D81704 [0,0,0,0,1,0|1,0,2]=4 134 B11R1.16 CCNC(=O)C1=CN=CC=C1 D82018 [0,0,0,0,1,0|2,0,0]=3 135 B11R1.16 CCOC(=N)C1=CC=CC=C1 53592 [0,0,0,0,1,0|1,0,0]=2 136 B11R1.16 CCOC(=N)C1=CC=NC=C1 C75086 [0,0,0,0,1,0|2,0,0]=3 137 B11R1.16 CCOC(=O)C1=CC=CC=C1 20009 [0,0,0,0,1,0|0,0,0]=1 138 B11R1.16 CCOC(=O)C1=CC=NC=C1 D70811 [0,0,0,0,1,0|1,0,0]=2 139 B11R1.16 CCOC(=O)C1=CN=CC=C1 67658 [0,0,0,0,1,0|1,0,0]=2 140 B11R1.16 CCOC(=O)C1=CN=CN=C1 29343 [0,0,0,0,1,0|2,0,0]=3 141 B11R1.16 CCOC(=O)C1=CN=NC=C1 31255 [0,0,0,0,1,0|2,0,0]=3 142 B11R1.16 CCOC(=O)C1=NC=CC=C1 20505 [0,0,0,0,1,0|1,0,0]=2 143 B11R1.16 CCOC(=O)C1=NC=CC=N1 30551 [0,0,0,0,1,0|2,0,0]=3 144 B11R1.16 CCOC(=O)C1=NC=CN=C1 71251 [0,0,0,0,1,0|2,0,0]=3 145 B11R1.16 CCOC(=O)C1=NC=NC=C1 60710 [0,0,0,0,1,0|2,0,0]=3 146 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 D70780 [0,0,0,0,1,0|1,0,0]=2 147 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 65122 [0,0,0,0,1,0|1,0,1]=3 148 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CL8636 [0,0,0,0,1,0|2,0,1]=4 149 B11R1.16 O=C(CCCl)C1=CC=CC=C1 20090 [0,0,0,0,1,0|2,0,0]=3 150 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 76475 [0,0,0,0,1,0|2,0,1]=4 151 B11R1.16 O=C(NCO)C1=CC=CC=C1 D95962 [0,0,0,0,1,0|2,0,0]=3 152 B11R1.16 O=C(NCO)C1=CN=CC=C1 D90986 [0,0,0,0,1,0|3,0,0]=4 153 B11R1.16 O=C(OCCl)C1=CC=CC=C1 A51028 [0,0,0,0,1,0|1,0,0]=2 154 B11R1.16 O=C(OCI)C1=CC=CC=C1 W17100 [0,0,0,0,1,0|1,0,0]=2 155 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 H11300 [0,0,0,0,1,0|3,0,0]=4 156 B11R1.30 CCNC(=O)CN1C=CN=C1 31785 [0,0,0,0,1,0|3,0,0]=4 157 B11R1.30 CCOC(=O)CC1=CC=CS1 D81743 [0,0,0,0,1,0|1,0,0]=2 158 B11R1.30 CCOC(=O)CC1=CSC=C1 A11146 [0,0,0,0,1,0|1,0,0]=2 159 B11R1.30 CCOC(=O)CC1=NC=CS1 25515 [0,0,0,0,1,0|2,0,0]=3 160 B11R1.30 CCOC(=O)CN1C=CN=C1 28589 [0,0,0,0,1,0|2,0,0]=3 161 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 83463 [0,0,0,0,0,1|1,0,2]=4 162 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 W10347 [0,0,0,0,0,1|1,0,0]=2 163 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 W18306 [0,0,0,0,0,1|0,0,1]=2 164 B13R1.42 CCOC(=O)C#CC1=CC=NC=C1 31802 [0,0,0,0,0,1|1,0,1]=3 165 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 28444 [0,0,0,0,0,1|0,0,0]=1 166 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 28613 [0,0,0,0,0,1|0,0,0]=1 167 B13R1.42 CCOC(=O)COC1=CC=CC=C1 11858 [0,0,0,0,0,1|0,0,0]=1 168 B13R1.42 CCOC(=O)COC1=CC=NC=C1 D81443 [0,0,0,0,0,1|1,0,0]=2 169 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 D92068 [0,0,0,0,0,1|0,0,0]=1 170 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 AC8020 [0,0,0,0,0,1|0,0,1]=2 171 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 74900 [0,0,0,0,0,1|1,0,1]=3 172 B13R1.42 CCOC(=O)\C=C\C1=CN=CC=C1 W11611 [0,0,0,0,0,1|1,0,1]=3 173 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 W11610 [0,0,0,0,0,1|1,0,1]=3 174 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 D74105 [0,0,0,0,0,1|2,0,0]=3 175 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 S12127 [0,0,0,0,0,1|2,0,1]=4 176 B13R1.42 N#CCC(=O)OCC1=CC=CC=C1 TD1026 [0,0,0,0,0,1|2,0,1]=4 177 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 A11515 [0,0,0,0,0,1|2,0,0]=3 178 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 53642 [0,0,0,0,0,1|2,0,0]=3 179 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 30664 [0,0,0,0,0,1|2,0,0]=3 180 B10R1.17 BrCCCC1=CC=CC=C1 D78162 [2,0,0,0,0,0|1,0,1]=4 181 B10R1.17 BrC\C=C\C1=CC=CC=C1 F14018 [2,0,0,0,0,0|1,0,1]=4 182 B10R1.17 C=COCC1=CC=CC=C1 P11489 [2,0,0,0,0,0|0,0,2]=4 183 B10R1.17 CCCCC1=CC=CC=C1 H11923 [2,0,0,0,0,0|0,0,1]=3 184 B10R1.17 CCCCC1=CC=CN=C1 F20500 [2,0,0,0,0,0|1,0,1]=4 185 B10R1.17 CCCC[N+]1=CC=CC=C1 C93409 [2,0,0,0,0,0|1,0,1]=4 186 B10R1.17 CCCC[N+]1=CC=CC=C1 C93435 [2,0,0,0,0,0|1,0,1]=4 187 B10R1.17 CCCC[N+]1=CC=CC=C1 C93442 [2,0,0,0,0,0|1,0,1]=4 188 B10R1.17 CCCC[N+]1=CC=CC=C1 C93518 [2,0,0,0,0,0|1,0,1]=4 189 B10R1.17 CCCNC1=CC=CC=C1 D91987 [2,0,0,0,0,0|1,0,1]=4 190 B10R1.17 CCNCC1=CC=CN=C1 30943 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.17 CCNCC1=CC=NC=C1 12139 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.17 CCNCC1=NC=CC=C1 29981 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.17 CCOCC1=CC=CC=C1 F30115 [2,0,0,0,0,0|0,0,0]=2 194 B10R1.17 CNCCC1=CC=CC=C1 AR1058 [2,0,0,0,0,0|1,0,1]=4 195 B10R1.17 COCSC1=CC=CC=C1 D91464 [2,0,0,0,0,0|1,0,1]=4 196 B10R1.17 ClCCCC1=CC=CC=C1 S12344 [2,0,0,0,0,0|1,0,1]=4 197 B10R1.17 ClCOCC1=CC=CC=C1 76478 [2,0,0,0,0,0|1,0,0]=3 198 B10R1.17 ClCSCC1=CC=CC=C1 D88878 [2,0,0,0,0,0|1,1,0]=4 199 B10R1.17 ClC\C=C\C1=CC=CC=C1 76491 [2,0,0,0,0,0|1,0,1]=4 200 B10R1.17 ClC\C=C\C1=CC=CC=C1 D91905 [2,0,0,0,0,0|1,0,1]=4 201 B10R1.17 NCCCC1=CC=CC=C1 S10208 [2,0,0,0,0,0|1,0,1]=4 202 B10R1.17 NC\C=C\C1=CC=CC=C1 W12746 [2,0,0,0,0,0|1,0,1]=4 203 B10R1.17 O=COCC1=CC=CC=C1 D70183 [2,0,0,0,0,0|1,0,1]=4 204 B10R1.17 OCCCC1=CC=CC=C1 AC1807 [2,0,0,0,0,0|1,0,1]=4 205 B10R1.17 OC\C=C/C1=CC=CC=C1 AC1182 [2,0,0,0,0,0|1,0,1]=4 206 B10R1.17 OC\C=C\C1=CC=CC=C1 D95443 [2,0,0,0,0,0|1,0,1]=4 207 B10R1.18 CC(=O)CC1=CC=NC=C1 32302 [2,0,0,0,0,0|1,0,0]=3 208 B10R1.18 CC(=O)CC1=CC=NC=C1 65526 [2,0,0,0,0,0|1,0,0]=3 209 B10R1.18 CC(=O)CC1=NC=CC=C1 65544 [2,0,0,0,0,0|1,0,0]=3 210 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 D88335 [2,0,0,0,0,0|1,0,0]=3 211 B10R1.18 CC(=O)NC1=CC=NC=C1 D88476 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.18 CC(=O)NC1=CN=CC=C1 D76087 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.18 CC(=O)NC1=NC=CC=C1 H10380 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.18 CC(=O)OC1=CC=CC=C1 D88203 [2,0,0,0,0,0|1,0,0]=3 215 B10R1.18 CC(=O)OC1=CN=CC=C1 D88394 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.18 CC(=O)SC1=CC=CC=C1 H12050 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.18 CC(=S)NC1=CC=CC=C1 81311 [2,0,0,0,0,0|1,1,0]=4 218 B10R1.18 CC(C)=CC1=CC=CC=C1 W16227 [2,0,0,0,0,0|1,0,1]=4 219 B10R1.18 C[C@H](O)CC1=CC=CC=C1 D71014 [2,0,0,0,0,0|0,0,2]=4 220 B10R1.18 C[Si](C)CC1=CC=CC=C1 D89172 [2,0,0,0,0,0|1,1,0]=4 221 B10R1.18 NC(=O)CC1=CC=CC=C1 20020 [2,0,0,0,0,0|1,0,0]=3 222 B10R1.18 NC(=O)CC1=CN=CC=C1 F30204 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 D87783 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.18 NC(=O)NC1=CC=CC=C1 C11241 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.18 NC(=O)OC1=CC=CC=C1 81483 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.18 O=C(Cl)CC1=CC=CC=C1 S11991 [2,0,0,0,0,0|1,0,0]=3 227 B10R1.18 O=C(O)CC1=CC=CC=C1 A12791 [2,0,0,0,0,0|0,0,0]=2 228 B10R1.18 O=C(O)CC1=CC=NC=C1 65460 [2,0,0,0,0,0|1,0,0]=3 229 B10R1.18 O=C(O)CC1=CC=NC=C1 65461 [2,0,0,0,0,0|1,0,0]=3 230 B10R1.18 O=C(O)CC1=CN=CC=C1 23119 [2,0,0,0,0,0|1,0,0]=3 231 B10R1.18 O=C(O)CC1=CN=CC=C1 28500 [2,0,0,0,0,0|1,0,0]=3 232 B10R1.18 O=C(O)CC1=NC=CC=C1 31161 [2,0,0,0,0,0|1,0,0]=3 233 B10R1.18 O=C(O)CC1=NC=CC=N1 29338 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.18 O=C(O)CC1=NC=CN=C1 69865 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 D85775 [2,0,0,0,0,0|1,0,0]=3 236 B12R1.1 CCCCCC1=CC=C(Br)C=C1 28615 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.1 CCCCCC1=CC=C(N)C=C1 D88359 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.1 CCCCCC1=CC=C(O)C=C1 27300 [1,1,0,0,0,0|1,0,1]=4 239 B12R1.8 BrCCCCCC1=CC=CC=C1 S10028 [1,1,0,0,0,0|1,0,1]=4 240 B12R1.8 BrCCCOCC1=CC=CC=C1 33009 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.8 CCCCCCC1=CC=CC=C1 65014 [1,1,0,0,0,0|1,0,1]=4 242 B12R1.8 CCCCNCC1=CC=CC=C1 D88887 [1,1,0,0,0,0|1,0,1]=4 243 B12R1.8 CNCCCCC1=CC=CC=C1 AR1724 [1,1,0,0,0,0|1,0,1]=4 244 B12R1.8 CNCCNCC1=CC=CC=C1 AB2659 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.8 NCCCNCC1=CC=CC=C1 23518 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.8 OCCCCCC1=CC=CC=C1 D92109 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.8 OCCCNCC1=CC=CC=C1 29589 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.8 OCCCNCC1=CC=CC=C1 W11523 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.8 OCCCOCC1=CC=CC=C1 29440 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.252 CC(C)CNCC1=CC=CC=C1 71268 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11414 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11416 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 C72530 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 C73581 [1,1,0,0,0,0|0,0,1]=3 255 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 A10303 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 28420 [1,1,0,0,0,0|0,0,1]=3 257 B12R1.34 COC(=O)[C@H](Br)C1=CC=CC=C1 S12168 [1,1,0,0,0,0|0,0,0]=2 258 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W13540 [1,1,0,0,0,0|0,0,0]=2 259 B12R1.34 COC(=O)[C@H](Cl)C1=CC=CC=C1 D81981 [1,1,0,0,0,0|0,0,0]=2 260 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 39409 [1,1,0,0,0,0|0,0,0]=2 261 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 E70004 [1,1,0,0,0,0|0,0,0]=2 262 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 F14561 [1,1,0,0,0,0|0,0,0]=2 263 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 D70330 [1,1,0,0,0,0|0,0,0]=2 264 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 FD1304 [1,1,0,0,0,0|0,0,0]=2 265 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 FD1307 [1,1,0,0,0,0|0,0,0]=2 266 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 32680 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 D94755 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.43 C=C(C)C(=O)NC1=CC=CC=C1 AC9002 [1,1,0,0,0,0|1,0,1]=4 269 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 D82045 [1,1,0,0,0,0|1,0,1]=4 270 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 D91164 [1,1,0,0,0,0|1,0,0]=3 271 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 D83494 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.43 C[C@H](Br)C(=O)NC1=CC=CC=C1 F50752 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 D91915 [1,1,0,0,0,0|1,0,1]=4 274 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 A51184 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 85543 [1,1,0,0,0,0|1,0,0]=3 276 B12R1.49 CNC(=O)CC1=CC=C(Cl)C=C1 W12083 [1,1,0,0,0,0|1,0,0]=3 277 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 W17425 [1,1,0,0,0,0|1,0,0]=3 278 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 AB3932 [1,1,0,0,0,0|0,0,0]=2 279 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 76662 [1,1,0,0,0,0|0,0,0]=2 280 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 76653 [1,1,0,0,0,0|0,0,0]=2 281 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 AB7526 [1,1,0,0,0,0|0,0,0]=2 282 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 AC6509 [1,1,0,0,0,0|0,0,0]=2 283 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 50001 [1,1,0,0,0,0|0,0,0]=2 284 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 AB7450 [1,1,0,0,0,0|0,0,0]=2 285 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 35758 [1,1,0,0,0,0|0,0,0]=2 286 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 F16371 [1,1,0,0,0,0|1,0,0]=3 287 B12R1.49 COC(=O)CC1=NC=C(Br)C=N1 72518 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.49 COC(=O)NC1=CC=C(N)C=C1 AB10046 [1,1,0,0,0,0|1,0,0]=3 289 B12R1.49 NCC(=O)NC1=CC=C(N)C=C1 D81587 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 W10668 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 24102 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 W10662 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 W11889 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 F30176 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 D83579 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 O11989 [1,1,0,0,0,0|1,0,0]=3 297 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 35769 [1,1,0,0,0,0|0,0,0]=2 298 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CL8810 [1,1,0,0,0,0|0,0,0]=2 299 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 AB3965 [1,1,0,0,0,0|0,0,0]=2 300 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 AB3931 [1,1,0,0,0,0|0,0,0]=2 301 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 AB9674 [1,1,0,0,0,0|0,0,0]=2 302 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 22081 [1,1,0,0,0,0|0,0,0]=2 303 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 P16659 [1,1,0,0,0,0|0,0,0]=2 304 B12R1.50 COC(=O)CC1=NC(C)=CC=C1 76380 [1,1,0,0,0,0|1,0,0]=3 305 B12R1.50 COC(=O)CC1=NC=CC(C)=C1 D82783 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 C11415 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.118 CCN(CC)CC1=CC=CC=C1 D72507 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.194 CC[C@](C)(O)CC1=CC=CC=C1 D91562 [1,1,0,0,0,0|0,0,2]=4 309 B12R1.371 CC1=C(NC(=O)CCl)C=CC=C1 71025 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 AB3930 [1,1,0,0,0,0|0,0,0]=2 311 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 38410 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 D74700 [1,1,0,0,0,0|0,0,0]=2 313 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 29411 [1,1,0,0,0,0|0,0,0]=2 314 B12R1.371 COC(=O)CC1=C(F)C=CC=C1 AB7523 [1,1,0,0,0,0|0,0,0]=2 315 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 A10071 [1,1,0,0,0,0|0,0,0]=2 316 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 D70921 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.371 NNC(=O)CC1=C(F)C=CC=C1 D97532 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.371 O=C(CBr)NC1=C(F)C=CC=C1 71401 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 57527 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.16 CCCC(=O)C1=CC=C(Br)C=C1 F11251 [0,1,0,0,1,0|1,0,0]=3 321 B12R1.16 CCCC(=O)C1=CC=C(Cl)C=C1 D89428 [0,1,0,0,1,0|1,0,0]=3 322 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 D83342 [0,1,0,0,1,0|1,0,0]=3 323 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 28693 [0,1,0,0,1,0|1,0,0]=3 324 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 AB7143 [0,1,0,0,1,0|0,0,0]=2 325 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 AC7906 [0,1,0,0,1,0|0,0,0]=2 326 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CK2303 [0,1,0,0,1,0|0,0,0]=2 327 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 AB9272 [0,1,0,0,1,0|0,0,0]=2 328 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 W18471 [0,1,0,0,1,0|0,0,0]=2 329 B12R1.16 CCOC(=O)C1=CCC(C)=CC1 D86666 [0,1,0,0,1,0|0,0,2]=4 330 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 23570 [0,1,0,0,1,0|1,0,0]=3 331 B12R1.16 CCOC(=O)C1=CN=C(Br)C=N1 27178 [0,1,0,0,1,0|2,0,0]=4 332 B12R1.16 CCOC(=O)C1=CN=C(Br)N=C1 D83950 [0,1,0,0,1,0|2,0,0]=4 333 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 P10112 [0,1,0,0,1,0|1,0,0]=3 334 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 69173 [0,1,0,0,1,0|2,0,0]=4 335 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AR3113 [0,1,0,0,1,0|1,0,0]=3 336 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 57264 [0,1,0,0,1,0|2,0,0]=4 337 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 28406 [0,1,0,0,1,0|1,0,0]=3 338 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 23453 [0,1,0,0,1,0|2,0,0]=4 339 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 24926 [0,1,0,0,1,0|1,0,0]=3 340 B12R1.16 CCOC(=O)C1=CN=C(O)N=C1 CL1925 [0,1,0,0,1,0|2,0,0]=4 341 B12R1.16 CCOC(=O)C1=CNC(=O)C=C1 20705 [0,1,0,0,1,0|1,0,0]=3 342 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 24637 [0,1,0,0,1,0|1,0,0]=3 343 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 24801 [0,1,0,0,1,0|2,0,0]=4 344 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 36178 [0,1,0,0,1,0|1,0,0]=3 345 B12R1.16 CCOC(=O)C1=NC=C(C)N=C1 D82341 [0,1,0,0,1,0|2,0,0]=4 346 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 P11888 [0,1,0,0,1,0|2,0,0]=4 347 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 RB3103 [0,1,0,0,1,0|2,0,0]=4 348 B12R1.16 CCOC(=O)C1=NC=C(O)C=C1 11703 [0,1,0,0,1,0|1,0,0]=3 349 B12R1.16 CCOC(=O)C1=NN=C(C)C=C1 30578 [0,1,0,0,1,0|2,0,0]=4 350 B12R1.16 CCOC(=O)C1=NN=C(N)C=C1 30516 [0,1,0,0,1,0|2,0,0]=4 351 B12R1.16 CCOC(=O)C1=NNC(=O)C=C1 20189 [0,1,0,0,1,0|2,0,0]=4 352 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 76035 [0,1,0,0,1,0|2,0,0]=4 353 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 34177 [0,1,0,0,1,0|2,0,0]=4 354 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 75789 [0,1,0,0,1,0|2,0,0]=4 355 B12R1.16 O=C(CCCl)C1=CC=C(O)C=C1 AC1755 [0,1,0,0,1,0|2,0,0]=4 356 B12R1.16 O=C(CCO)C1=CC=C(O)C=C1 32049 [0,1,0,0,1,0|2,0,0]=4 357 B12R1.17 CCNC(=O)C1=CC(Br)=CN=C1 W15681 [0,1,0,0,1,0|2,0,0]=4 358 B12R1.17 CCOC(=N)C1=CC(C)=CC=C1 W16099 [0,1,0,0,1,0|1,0,0]=3 359 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 RB1029 [0,1,0,0,1,0|1,0,0]=3 360 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 35072 [0,1,0,0,1,0|1,0,0]=3 361 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 60945 [0,1,0,0,1,0|1,0,0]=3 362 B12R1.17 CCOC(=O)C1=CC(Cl)=CN=C1 C15280 [0,1,0,0,1,0|1,0,0]=3 363 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 AR3365 [0,1,0,0,1,0|1,0,0]=3 364 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 89028 [0,1,0,0,1,0|2,0,0]=4 365 B12R1.17 CCOC(=O)C1=CC(Cl)=NN=C1 W15338 [0,1,0,0,1,0|2,0,0]=4 366 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 76547 [0,1,0,0,1,0|0,0,0]=2 367 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 H11281 [0,1,0,0,1,0|0,0,0]=2 368 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 TD1284 [0,1,0,0,1,0|1,0,0]=3 369 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 F11274 [0,1,0,0,1,0|0,0,0]=2 370 B12R1.17 CCOC(=O)C1=CC=CC(Br)=C1 AB7142 [0,1,0,0,1,0|0,0,0]=2 371 B12R1.17 CCOC(=O)C1=CC=CC(Br)=N1 60824 [0,1,0,0,1,0|1,0,0]=3 372 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=C1 67734 [0,1,0,0,1,0|0,0,0]=2 373 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=N1 36314 [0,1,0,0,1,0|1,0,0]=3 374 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 AB9271 [0,1,0,0,1,0|0,0,0]=2 375 B12R1.17 CCOC(=O)C1=CC=CC(I)=C1 O11778 [0,1,0,0,1,0|0,0,0]=2 376 B12R1.17 CCOC(=O)C1=CC=NC(Cl)=N1 24381 [0,1,0,0,1,0|2,0,0]=4 377 B12R1.17 CCOC(=O)C1=CN=CC(C)=C1 F19183 [0,1,0,0,1,0|1,0,0]=3 378 B12R1.17 CCOC(=O)C1=CN=CC(N)=C1 AB3715 [0,1,0,0,1,0|1,0,0]=3 379 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 69582 [0,1,0,0,1,0|1,0,0]=3 380 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 83126 [0,1,0,0,1,0|1,0,0]=3 381 B12R1.17 CCOC(=O)C1=NC(N)=CC=N1 26870 [0,1,0,0,1,0|2,0,0]=4 382 B12R1.17 CCOC(=O)C1=NC=CC(Br)=C1 24576 [0,1,0,0,1,0|1,0,0]=3 383 B12R1.17 CCOC(=O)C1=NC=CC(Cl)=C1 CL0279 [0,1,0,0,1,0|1,0,0]=3 384 B12R1.17 CCOC(=O)C1=NC=CC(N)=C1 P10918 [0,1,0,0,1,0|1,0,0]=3 385 B12R1.17 CCOC(=O)C1=NC=CC(O)=C1 D94997 [0,1,0,0,1,0|1,0,0]=3 386 B12R1.17 CCOC(=O)C1=NC=NC(O)=C1 33507 [0,1,0,0,1,0|2,0,0]=4 387 B12R1.39 CCOS(=O)(=O)C1=CC=CC=C1 AC8062 [0,1,0,0,1,0|1,0,0]=3 388 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 77874 [0,1,0,0,1,0|1,0,1]=4 389 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 D91120 [0,1,0,0,1,0|1,0,0]=3 390 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 D88597 [0,1,0,0,1,0|0,0,0]=2 391 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 T70641 [0,1,0,0,1,0|2,0,0]=4 392 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 D86507 [0,1,0,0,1,0|1,0,0]=3 393 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 71283 [0,1,0,0,1,0|1,0,0]=3 394 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 71322 [0,1,0,0,1,0|1,0,0]=3 395 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl 76948 [0,1,0,0,1,0|2,0,0]=4 396 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 28538 [0,1,0,0,1,0|0,0,0]=2 397 B12R1.308 CCOC(=O)C1=C(Br)C=CC=N1 W17171 [0,1,0,0,1,0|1,0,0]=3 398 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 D97313 [0,1,0,0,1,0|1,0,0]=3 399 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 76536 [0,1,0,0,1,0|0,0,0]=2 400 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 AB3749 [0,1,0,0,1,0|1,0,0]=3 401 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 AC8527 [0,1,0,0,1,0|0,0,0]=2 402 B12R1.308 CCOC(=O)C1=C(Cl)C=NC=C1 F16293 [0,1,0,0,1,0|1,0,0]=3 403 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 AC7853 [0,1,0,0,1,0|0,0,0]=2 404 B12R1.308 CCOC(=O)C1=C(F)C=CC=N1 AC2313 [0,1,0,0,1,0|1,0,0]=3 405 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 D70261 [0,1,0,0,1,0|0,0,0]=2 406 B12R1.308 CCOC(=O)C1=C(N)C=CC=C1 H11236 [0,1,0,0,1,0|0,0,0]=2 407 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 60880 [0,1,0,0,1,0|1,0,0]=3 408 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 CL0048 [0,1,0,0,1,0|1,0,0]=3 409 B12R1.308 CCOC(=O)C1=C(N)N=CN=C1 30596 [0,1,0,0,1,0|2,0,0]=4 410 B12R1.308 CCOC(=O)C1=C(O)C=CC=C1 D70269 [0,1,0,0,1,0|0,0,0]=2 411 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl FD9099 [0,1,0,0,1,0|1,0,0]=3 412 B12R1.308 CCOC(=O)C1=CC=NN=C1Cl 30552 [0,1,0,0,1,0|2,0,0]=4 413 B12R1.308 CCOC(=O)C1=CC=NNC1=O 87351 [0,1,0,0,1,0|2,0,0]=4 414 B12R1.308 CCOC(=O)C1=CN=CNC1=O 25327 [0,1,0,0,1,0|2,0,0]=4 415 B12R1.308 CCOC(=O)C1=NC=CC=C1N 23567 [0,1,0,0,1,0|1,0,0]=3 416 B12R1.308 CCOC(=O)C1=NC=CC=C1O D70625 [0,1,0,0,1,0|1,0,0]=3 417 B12R1.308 CCOC(=O)C1=NC=CN=C1C 78214 [0,1,0,0,1,0|2,0,0]=4 418 B12R1.308 O=C(CCCl)C1=C(O)C=CC=C1 AC5995 [0,1,0,0,1,0|2,0,0]=4 419 B12R1.31 CCOC(=O)CC1=CSC(C)=N1 W10259 [0,1,0,0,1,0|2,0,0]=4 420 B12R1.31 CCOC(=O)CC1=CSC(N)=N1 F30080 [0,1,0,0,1,0|2,0,0]=4 421 B12R1.31 CCOC(=O)CC1=CSC(N)=N1 S11624 [0,1,0,0,1,0|2,0,0]=4 422 B12R1.31 CCOC(=O)CC1=NC(C)=CS1 F13033 [0,1,0,0,1,0|2,0,0]=4 423 B12R1.31 CCOC(=O)CN1C=C(I)C=N1 D93621 [0,1,0,0,1,0|2,0,0]=4 424 B12R1.55 CCOC(=O)C(=O)C1=CC=CS1 P10029 [0,1,0,0,1,0|1,0,1]=4 425 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 S12382 [0,1,0,0,0,1|0,0,0]=2 426 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 33005 [0,1,0,0,0,1|1,0,0]=3 427 B14R1.29 CCOC(=O)CC(=O)C1=CN=CC=C1 AB9304 [0,1,0,0,0,1|1,0,0]=3 428 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 AB9303 [0,1,0,0,0,1|1,0,0]=3 429 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=N1 D94275 [0,1,0,0,0,1|2,0,0]=4 430 B14R1.29 CCOC(=O)CC(=O)C1=NC=NC=C1 C16150 [0,1,0,0,0,1|2,0,0]=4 431 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 N12630 [0,1,0,0,0,1|0,0,0]=2 432 B14R1.29 CCOC(=O)C[C@H](N)C1=CN=CC=C1 56246 [0,1,0,0,0,1|1,0,0]=3 433 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 29433 [0,1,0,0,0,1|0,0,0]=2 434 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 76553 [0,1,0,0,0,1|0,0,1]=3 435 B14R1.32 CCOC(=O)CCC1=CC(N)=CC=C1 53008 [0,1,0,0,0,1|0,0,0]=2 436 B14R1.32 CCOC(=O)CCC1=CC(O)=CC=C1 W10554 [0,1,0,0,0,1|0,0,0]=2 437 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(Br)=C1 AB7157 [0,1,0,0,0,1|0,0,1]=3 438 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 W18674 [0,1,0,0,0,1|0,0,1]=3 439 B14R1.60 CCOC(=O)C(=O)NC1=CN=CC=C1 W18313 [0,1,0,0,0,1|1,0,1]=4 440 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 75095 [0,1,0,0,0,1|0,0,0]=2 441 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 F10840 [0,1,0,0,0,1|0,0,0]=2 442 B14R1.60 CCOC(=O)[C@@H](N)CC1=NC=CC=C1 83256 [0,1,0,0,0,1|1,0,0]=3 443 B14R1.60 CN(CC1=CC=CC=C1)C(=O)CCCl W15856 [0,1,0,0,0,1|2,0,0]=4 444 B14R1.156 C#CCCC(=O)OCC1=CC=CC=C1 W18301 [0,1,0,0,0,1|1,0,1]=4 445 B14R1.156 C=CCNC(=O)OCC1=CC=CC=C1 68204 [0,1,0,0,0,1|1,0,1]=4 446 B14R1.156 C=CCOC(=O)COC1=CC=CC=C1 A50642 [0,1,0,0,0,1|0,0,1]=3 447 B14R1.156 C=CCOC(=O)\C=C\C1=CC=CC=C1 C10689 [0,1,0,0,0,1|0,0,2]=4 448 B14R1.156 COCNC(=O)OCC1=CC=CC=C1 W17375 [0,1,0,0,0,1|1,0,0]=3 449 B14R1.156 C\C=C\NC(=O)OCC1=CC=CC=C1 A50065 [0,1,0,0,0,1|1,0,1]=4 450 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 AB3074 [0,1,0,0,0,1|1,0,1]=4 451 B14R1.156 NCCCC(=O)OCC1=CC=CC=C1 D94846 [0,1,0,0,0,1|1,0,0]=3 452 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 35642 [0,1,0,0,0,1|1,0,0]=3 453 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 A10163 [0,1,0,0,0,1|1,0,0]=3 454 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 Y10434 [0,1,0,0,0,1|1,0,0]=3 455 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 AB3064 [0,1,0,0,0,1|1,0,0]=3 456 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 57128 [0,1,0,0,0,1|1,0,0]=3 457 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 83539 [0,1,0,0,0,1|0,0,1]=3 458 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 AB3728 [0,1,0,0,0,1|0,0,0]=2 459 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 AB7212 [0,1,0,0,0,1|0,0,0]=2 460 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 30223 [0,1,0,0,0,1|0,0,0]=2 461 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 71210 [0,1,0,0,0,1|0,0,0]=2 462 B14R1.502 CCOC(=O)CNC1=NC=C(Br)C=N1 30056 [0,1,0,0,0,1|2,0,0]=4 463 B14R1.502 CCOC(=O)COC1=CC=C(C)C=C1 D78583 [0,1,0,0,0,1|0,0,0]=2 464 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 D85786 [0,1,0,0,0,1|0,0,0]=2 465 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 AB7158 [0,1,0,0,0,1|0,0,1]=3 466 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 A12244 [0,1,0,0,0,1|0,0,1]=3 467 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 35676 [0,1,0,0,0,1|0,0,1]=3 468 B14R1.502 CCOC(=O)\C=C\C1=CC=C(F)C=C1 AB7211 [0,1,0,0,0,1|0,0,1]=3 469 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 55083 [0,1,0,0,0,1|0,0,1]=3 470 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 Y10121 [0,1,0,0,0,1|0,0,1]=3 471 B14R1.502 CCOC(=O)\C=C\C1=NC=C(C)C=C1 W11643 [0,1,0,0,0,1|1,0,1]=4 472 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 29956 [0,1,0,0,0,1|0,0,0]=2 473 B14R1.598 CCOC(=O)COC1=C(Br)C=CC=C1 W13466 [0,1,0,0,0,1|0,0,0]=2 474 B14R1.598 CCOC(=O)\C=C\C1=C(Br)C=CC=C1 72111 [0,1,0,0,0,1|0,0,1]=3 475 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 W18861 [0,1,0,0,0,1|0,0,1]=3 476 B14R1.598 CCOC(=S)SCC1=CC=CN=C1Cl D81417 [0,1,0,0,0,1|1,1,0]=4 477 B14R1.756 C\C=C(/C)C(=O)OCC1=CC=CC=C1 D78437 [0,1,0,0,0,1|1,0,1]=4 478 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 34271 [0,1,0,0,0,1|2,0,0]=4 479 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 FD3069 [0,1,0,0,0,1|2,0,0]=4 480 B14R1.756 O=C(OCC1=CC=CC=C1)[C@@H](Br)CBr AB2650 [0,1,0,0,0,1|2,0,0]=4 481 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 D77780 [0,1,0,0,0,1|1,0,1]=4 482 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 F14832 [0,1,0,0,0,1|1,0,1]=4 483 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 D95343 [0,1,0,0,0,1|1,0,0]=3 484 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 28964 [0,2,0,0,0,0|0,0,1]=3 485 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C)C=C1 N12010 [0,2,0,0,0,0|0,0,1]=3 486 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 61490 [0,2,0,0,0,0|0,0,1]=3 487 B14R1.35 CCOC(=O)C(=O)C1=CC=C(O)C=C1 D82867 [0,2,0,0,0,0|0,0,1]=3 488 B14R1.35 CCOC(=O)[C@H](Br)C1=CC=C(Br)C=C1 76532 [0,2,0,0,0,0|0,0,0]=2 489 B14R1.35 CCOC(=O)[C@H](Br)C1=CC=C(Cl)C=C1 N10694 [0,2,0,0,0,0|0,0,0]=2 490 B14R1.35 CCOC(=O)[C@H](Br)C1=CC=C(F)C=C1 60718 [0,2,0,0,0,0|0,0,0]=2 491 B14R1.35 CCOC(=O)[C@H](C)C1=CC=C(Br)C=C1 D86657 [0,2,0,0,0,0|0,0,0]=2 492 B14R1.134 CON(C)C(=O)CC1=CC=C(Br)C=C1 72164 [0,2,0,0,0,0|2,0,0]=4 493 B14R1.954 CCOC(=O)CC1=CC=C(C#N)C=C1 AB3735 [0,2,0,0,0,0|0,0,0]=2 494 B14R1.954 CCOC(=O)CC1=CC=C(CN)C=C1 76008 [0,2,0,0,0,0|0,0,0]=2 495 B14R1.954 CCOC(=O)CC1=CC=C(OC)C=C1 A50726 [0,2,0,0,0,0|0,0,0]=2 496 B14R1.967 CCOC(=O)CC1=CC(Br)=C(C)C=C1 97490 [0,2,0,0,0,0|0,0,0]=2 497 B14R1.967 CCOC(=O)CC1=CC(Cl)=C(Br)C=C1 98299 [0,2,0,0,0,0|0,0,0]=2 498 B14R1.967 CCOC(=O)CC1=CC(F)=C(I)C=C1 CL8806 [0,2,0,0,0,0|0,0,0]=2 499 B14R1.967 CCOC(=O)CC1=CC(I)=C(N)C=C1 S12246 [0,2,0,0,0,0|0,0,0]=2 500 B14R1.967 CCOC(=O)CC1=CC(N)=C(F)C=C1 97489 [0,2,0,0,0,0|0,0,0]=2 501 B14R1.967 CCOC(=O)CC1=CC(N)=C(N)C=C1 81170 [0,2,0,0,0,0|0,0,0]=2 502 B14R1.6823 CCCC(=O)OC1=C(Cl)C=C(Cl)C=C1 D93426 [0,2,0,0,0,0|2,0,0]=4 503 B14R1.6823 CCOC(=O)CC1=C(F)C=C(Br)C=C1 D79044 [0,2,0,0,0,0|0,0,0]=2 504 B14R1.6823 CCOC(=O)CC1=C(F)C=C(Cl)C=C1 35732 [0,2,0,0,0,0|0,0,0]=2 505 B14R1.6823 CCOC(=O)CC1=C(F)C=C(F)C=C1 W11201 [0,2,0,0,0,0|0,0,0]=2 506 B14R1.952 CCOC(=O)CC1=CC(Cl)=CC(Cl)=C1 A10642 [0,2,0,0,0,0|0,0,0]=2 507 B14R1.962 CCOC(=O)CC1=CC(OC)=CC=C1 60915 [0,2,0,0,0,0|0,0,0]=2 508 B14R1.5978 CC(C)OC(=O)NC1=CC=CC(Cl)=C1 D97609 [0,2,0,0,0,0|1,0,0]=3 509 B14R1.158 NCCCNC(=O)NC1=CC=CC=C1 AR2483 [0,2,0,0,0,0|2,0,0]=4 510 B14R1.158 O=C(CNCCO)NC1=CC=CC=C1 AB2870 [0,2,0,0,0,0|2,0,0]=4 511 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 D91903 [0,2,0,0,0,0|0,0,0]=2 512 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 FD21616 [0,2,0,0,0,0|1,0,1]=4 513 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AB7590 [0,2,0,0,0,0|1,0,1]=4 514 B14R1.510 CCOC(=O)C(C)(C)C1=CC=CC=C1 30809 [0,2,0,0,0,0|0,0,0]=2 515 B14R1.604 CCOC(=O)[C@H](C#N)C1=CC=CC=C1 W10859 [0,2,0,0,0,0|0,0,0]=2 516 B14R1.604 CCOC(=O)[C@H](C#N)C1=NC=CC=N1 26428 [0,2,0,0,0,0|2,0,0]=4 517 B14R1.604 CCOC(=O)\C(=C\O)C1=CC=CC=C1 AC7751 [0,2,0,0,0,0|0,0,1]=3 518 B14R1.604 CCOC(=O)\C(=N\O)C1=NC=CC=C1 71032 [0,2,0,0,0,0|1,0,1]=4 519 B14R1.3348 CCOC(=O)C(=O)C1=C(F)C=CC=C1 C73492 [0,2,0,0,0,0|0,0,1]=3 520 B14R1.3348 CCOC(=O)[C@H](Br)C1=C(Cl)C=CC=C1 93404 [0,2,0,0,0,0|0,0,0]=2 521 B14R1.3348 CCOC(=O)[C@H](Cl)C1=C(Cl)C=CC=C1 CL8808 [0,2,0,0,0,0|0,0,0]=2 522 B14R1.494 CCOC(CC1=CC=CC=C1)OCC D93518 [0,2,0,0,0,0|0,0,2]=4 523 B14R1.532 CCN(CC)C(=O)CC1=CC=CC=C1 D81999 [0,2,0,0,0,0|1,0,0]=3 524 B14R1.433 CC(C)(C)OC(=O)CC1=CC=NC=C1 W11474 [0,2,0,0,0,0|1,0,0]=3 525 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CC=C1 AB8813 [0,2,0,0,0,0|1,0,0]=3 526 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 35458 [0,2,0,0,0,0|2,0,0]=4 527 B14R1.433 CC(C)(C)OC(=O)NC1=CN=CC=C1 AB6784 [0,2,0,0,0,0|2,0,0]=4 528 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 AB2756 [0,2,0,0,0,0|2,0,0]=4 529 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 I10205 [0,2,0,0,0,0|1,0,0]=3 530 B14R1.965 CCOC(=O)CC1=C(C#N)C=CC=C1 AB3733 [0,2,0,0,0,0|0,0,0]=2 531 B14R1.965 CCOC(=O)NC1=C(C#N)C=CC=C1 W15350 [0,2,0,0,0,0|1,0,0]=3 532 B14R1.19171 CCOC(=O)CC1=C(Cl)C=CC=C1F 76535 [0,2,0,0,0,0|0,0,0]=2 533 B14R1.19171 CCOC(=O)CC1=C(F)C=CC=C1F 76524 [0,2,0,0,0,0|0,0,0]=2 534 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23433 [1,0,0,1,0,0|2,0,0]=4 535 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59897 [1,0,0,1,0,0|2,0,0]=4 536 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AR1028 [1,0,0,1,0,0|2,0,0]=4 537 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 65218 [1,0,0,1,0,0|1,0,1]=4 538 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69527 [1,0,0,1,0,0|1,0,1]=4 539 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69530 [1,0,0,1,0,0|1,0,1]=4 540 B12R2.41 C1=CC2=C(C=C1)CCNCC2 35932 [1,0,0,1,0,0|1,0,1]=4 541 B12R2.41 C1=CC2=C(C=C1)CNCCC2 26520 [1,0,0,1,0,0|2,0,0]=4 542 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24493 [1,0,0,1,0,0|1,0,1]=4 543 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24577 [1,0,0,1,0,0|1,0,1]=4 544 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 79476 [1,0,0,1,0,0|1,0,0]=3 545 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 P15308 [1,0,0,1,0,0|2,0,0]=4 546 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 W11509 [1,0,0,1,0,0|2,0,0]=4 547 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=C2 D84199 [1,0,0,1,0,0|1,0,0]=3 548 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 AT10673 [1,0,0,1,0,0|2,0,0]=4 549 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O 29193 [1,0,0,1,0,0|1,0,1]=4 550 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 20236 [1,0,0,1,0,0|1,0,1]=4 551 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 71053 [1,0,0,1,0,0|0,0,0]=2 552 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 22566 [1,0,0,1,0,0|0,0,0]=2 553 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 64816 [1,0,0,1,0,0|1,0,0]=3 554 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 D70234 [1,0,0,1,0,0|1,0,0]=3 555 B12R2.24 O=C1CCN2C=CC=CC2=N1 77967 [1,0,0,1,0,0|2,0,0]=4 556 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 69683 [1,0,0,1,0,0|2,0,0]=4 557 B12R2.24 O=C1COC2=C(C=CC=C2)N1 64814 [1,0,0,1,0,0|2,0,0]=4 558 B12R2.24 O=C1COC2=C(C=CC=C2)O1 W17423 [1,0,0,1,0,0|2,0,0]=4 559 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 Y10089 [1,0,0,1,0,0|1,0,0]=3 560 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 F19976 [1,0,0,1,0,0|2,0,0]=4 561 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 94674 [1,0,0,1,0,0|0,0,2]=4 562 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 Y10749 [1,0,0,1,0,0|1,0,1]=4 563 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 34749 [1,0,0,1,0,0|2,0,0]=4 564 B12R2.2028 C[C@H]1CC(=O)C2=C1C=CC=C2 H10914 [0,0,0,1,1,0|1,0,0]=3 565 B12R2.2028 O=C1C[C@H](Br)C2=C1C=CC=C2 25105 [0,0,0,1,1,0|2,0,0]=4 566 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 AC7915 [0,0,0,1,1,0|1,0,0]=3 567 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 D71106 [0,0,0,1,1,0|1,0,0]=3 568 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 AC8552 [0,0,0,1,1,0|1,0,0]=3 569 B12R2.2075 O=C(C1=NC=CC=C1)C2CC2 29396 [0,0,0,1,1,0|2,0,0]=4 570 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 53410 [0,0,0,1,0,1|1,0,0]=3 571 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 20399 [0,0,0,1,0,1|2,0,0]=4 572 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 F50348 [0,0,0,1,0,1|2,0,0]=4 573 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 F52521 [0,0,0,1,0,1|2,0,0]=4 574 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 F14838 [0,0,0,1,0,1|1,0,0]=3 575 B14R2.30 O=C1OCC\C1=C/C2=CC=CC=C2 D83493 [0,0,0,1,0,1|0,0,1]=3 576 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 29001 [0,0,0,1,0,1|1,0,0]=3 577 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 31189 [0,0,0,1,0,1|1,0,0]=3 578 B14R2.598 O=C1C[C@H](C2=CC=CC=C2)C(=O)O1 30299 [0,0,0,1,0,1|1,0,1]=4 579 B14R2.2899 O=C(OCC1=CC=CC=C1)C2CC2 D84412 [0,0,0,1,0,1|1,0,0]=3 580 B14R2.926 NC1=CC=C(N2CCCC2=O)C=C1 29159 [0,1,0,1,0,0|2,0,0]=4 581 B14R2.926 O=C1CCCN1C2=CC=C(Br)C=C2 88295 [0,1,0,1,0,0|2,0,0]=4 582 B14R2.926 O=C1NCCN1C2=CC=C(Cl)C=C2 F14607 [0,1,0,1,0,0|2,0,0]=4 583 B14R2.949 O=C(NC1=CC=C(I)C=C1)C2CC2 W18816 [0,1,0,1,0,0|2,0,0]=4 584 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 83452 [0,1,0,1,0,0|2,0,0]=4 585 B14R2.269 O=C1NCCN1C2=CC=CC(Br)=C2 AC4161 [0,1,0,1,0,0|2,0,0]=4 586 B14R2.269 O=C1NCCN1C2=CC=CC(Cl)=C2 A11003 [0,1,0,1,0,0|2,0,0]=4 587 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 51452 [0,1,0,1,0,0|2,0,0]=4 588 B14R2.24 O=C1CCCC[C@@H]1C2=CC=CC=C2 C11341 [0,1,0,1,0,0|1,0,0]=3 589 B14R2.24 O=C1COCCN1C2=CC=CC=C2 C10714 [0,1,0,1,0,0|1,0,0]=3 590 B14R2.24 O=C1NCCN[C@H]1C2=CC=CC=C2 30813 [0,1,0,1,0,0|1,0,0]=3 591 B14R2.44 CCC[C@H]1CC2=C(C=CC=C2)C1=O D84138 [0,1,0,1,0,0|1,0,1]=4 592 B14R2.741 N[C@H]1CCC2=C(C=CC=C2)NC1=O 20128 [0,1,0,1,0,0|2,0,0]=4 593 B14R2.741 O=C1NC2=C(C=CC=C2)CC[C@@H]1Br 21718 [0,1,0,1,0,0|2,0,0]=4 594 B14R2.741 O=C1NC2=C(C=CC=C2)CC[C@@H]1Cl F13563 [0,1,0,1,0,0|2,0,0]=4 595 B14R2.1128 CCC1=NC2=C(C=CC=C2)NC1=O Y13473 [0,1,0,1,0,0|2,0,0]=4 596 B14R2.4514 N[C@H]1CCN(C2=CC=CC=C2)C1=O D81214 [0,1,0,1,0,0|2,0,0]=4 597 B14R2.4621 O=C(CC1=C(F)C=CC=C1)C2CC2 57338 [0,1,0,1,0,0|1,0,0]=3 598 B10R1.15 C#CC(=O)C1=CC=CC=C1 D94693 [1,0,0,0,1,0|0,0,2]=4 599 B10R1.15 CCC(=O)C1=CN=CC=C1 F16681 [1,0,0,0,1,0|1,0,0]=3 600 B10R1.15 CCC(=O)C1=NC=CC=C1 29347 [1,0,0,0,1,0|1,0,0]=3 601 B10R1.15 CC[C@H](N)C1=CC=CC=C1 A11524 [1,0,0,0,1,0|1,0,1]=4 602 B10R1.15 CC[C@H](N)C1=CC=CC=C1 F11436 [1,0,0,0,1,0|1,0,1]=4 603 B10R1.15 CC[C@H](O)C1=CC=CC=C1 S11247 [1,0,0,0,1,0|0,0,2]=4 604 B10R1.15 CNC(=O)C1=CC=CC=C1 F16588 [1,0,0,0,1,0|1,0,0]=3 605 B10R1.15 CNC(=O)C1=CN=CC=C1 D82023 [1,0,0,0,1,0|2,0,0]=4 606 B10R1.15 COC(=N)C1=CC=CC=C1 77505 [1,0,0,0,1,0|1,0,0]=3 607 B10R1.15 COC(=N)C1=NC=CC=C1 BL009662 [1,0,0,0,1,0|2,0,0]=4 608 B10R1.15 COC(=O)C1=CC=NC=C1 63791 [1,0,0,0,1,0|1,0,0]=3 609 B10R1.15 COC(=O)C1=CN=CC=C1 D87532 [1,0,0,0,1,0|1,0,0]=3 610 B10R1.15 COC(=O)C1=CN=CN=C1 83404 [1,0,0,0,1,0|2,0,0]=4 611 B10R1.15 COC(=O)C1=NC=CC=C1 O11979 [1,0,0,0,1,0|1,0,0]=3 612 B10R1.15 COC(=O)C1=NC=CC=N1 64037 [1,0,0,0,1,0|2,0,0]=4 613 B10R1.15 COC(=O)C1=NC=CN=C1 RB3190 [1,0,0,0,1,0|2,0,0]=4 614 B10R1.15 COC(=O)C1=NC=NC=C1 BL000368 [1,0,0,0,1,0|2,0,0]=4 615 B10R1.15 COC(=O)C1=NN=CC=C1 37091 [1,0,0,0,1,0|2,0,0]=4 616 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 N11940 [1,0,0,0,1,0|1,0,0]=3 617 B10R1.15 N#CC(=O)C1=CC=CC=C1 D88699 [1,0,0,0,1,0|1,0,1]=4 618 B10R1.15 NCC(=O)C1=CC=CC=C1 22016 [1,0,0,0,1,0|1,0,0]=3 619 B10R1.15 NNC(=O)C1=CC=CC=C1 43809 [1,0,0,0,1,0|2,0,0]=4 620 B10R1.15 O=C(CBr)C1=CC=CC=C1 22015 [1,0,0,0,1,0|1,0,0]=3 621 B10R1.15 O=C(CBr)C1=CC=NC=C1 83434 [1,0,0,0,1,0|2,0,0]=4 622 B10R1.15 O=C(CBr)C1=CC=NC=C1 D87681 [1,0,0,0,1,0|2,0,0]=4 623 B10R1.15 O=C(CBr)C1=CN=CC=C1 54536 [1,0,0,0,1,0|2,0,0]=4 624 B10R1.15 O=C(CBr)C1=NC=CC=C1 23182 [1,0,0,0,1,0|2,0,0]=4 625 B10R1.15 O=C(CCl)C1=CC=NC=C1 30684 [1,0,0,0,1,0|2,0,0]=4 626 B10R1.15 O=C(CCl)C1=CN=CC=C1 24213 [1,0,0,0,1,0|2,0,0]=4 627 B10R1.15 O=C(CF)C1=CC=CC=C1 71741 [1,0,0,0,1,0|1,0,0]=3 628 B10R1.15 O=C(CO)C1=CC=CC=C1 11027 [1,0,0,0,1,0|1,0,0]=3 629 B10R1.15 O=C(NO)C1=CC=CC=C1 D70179 [1,0,0,0,1,0|2,0,0]=4 630 B10R1.15 O=C(N[O-])C1=CC=CC=C1 D88606 [1,0,0,0,1,0|2,0,0]=4 631 B10R1.15 O=CC(=O)C1=CC=CC=C1 O10845 [1,0,0,0,1,0|1,0,1]=4 632 B10R1.27 COC(=O)CC1=CC=CS1 D70882 [1,0,0,0,1,0|1,0,0]=3 633 B10R1.27 COC(=O)CC1=CSC=C1 P10051 [1,0,0,0,1,0|1,0,0]=3 634 B10R1.27 COC(=O)CN1C=CN=C1 64794 [1,0,0,0,1,0|2,0,0]=4 635 B10R1.11 CCOC(=O)C1=CC=CN1 60866 [0,0,0,0,2,0|1,0,0]=3 636 B10R1.11 CCOC(=O)C1=CC=CO1 H11621 [0,0,0,0,2,0|1,0,0]=3 637 B10R1.11 CCOC(=O)C1=CC=CS1 76537 [0,0,0,0,2,0|1,0,0]=3 638 B10R1.11 CCOC(=O)C1=CC=NO1 F13842 [0,0,0,0,2,0|2,0,0]=4 639 B10R1.11 CCOC(=O)C1=CN=CO1 23210 [0,0,0,0,2,0|2,0,0]=4 640 B10R1.11 CCOC(=O)C1=CN=CS1 69868 [0,0,0,0,2,0|2,0,0]=4 641 B10R1.11 CCOC(=O)C1=CNC=C1 26995 [0,0,0,0,2,0|1,0,0]=3 642 B10R1.11 CCOC(=O)C1=CNC=N1 60951 [0,0,0,0,2,0|2,0,0]=4 643 B10R1.11 CCOC(=O)C1=CNN=C1 60706 [0,0,0,0,2,0|2,0,0]=4 644 B10R1.11 CCOC(=O)C1=CNN=C1 D80239 [0,0,0,0,2,0|2,0,0]=4 645 B10R1.11 CCOC(=O)C1=COC=C1 N11964 [0,0,0,0,2,0|1,0,0]=3 646 B10R1.11 CCOC(=O)C1=COC=N1 25319 [0,0,0,0,2,0|2,0,0]=4 647 B10R1.11 CCOC(=O)C1=CON=C1 38761 [0,0,0,0,2,0|2,0,0]=4 648 B10R1.11 CCOC(=O)C1=CSC=C1 33869 [0,0,0,0,2,0|1,0,0]=3 649 B10R1.11 CCOC(=O)C1=CSC=N1 CL2512 [0,0,0,0,2,0|2,0,0]=4 650 B10R1.11 CCOC(=O)C1=NC=CN1 CL2212 [0,0,0,0,2,0|2,0,0]=4 651 B10R1.11 CCOC(=O)C1=NC=CO1 25317 [0,0,0,0,2,0|2,0,0]=4 652 B10R1.11 CCOC(=O)C1=NNC=C1 61496 [0,0,0,0,2,0|2,0,0]=4 653 B10R1.11 CCOC(=O)C1=NOC=C1 33341 [0,0,0,0,2,0|2,0,0]=4 654 B10R1.11 CCOC(=O)N1C=CN=C1 F11595 [0,0,0,0,2,0|2,0,0]=4 655 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 AR3071 [0,0,0,0,0,2|0,0,0]=2 656 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 SC3891 [0,0,0,0,0,2|1,0,0]=3 657 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 26430 [0,0,0,0,0,2|0,0,0]=2 658 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 26460 [0,0,0,0,0,2|0,0,0]=2 659 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 30644 [0,0,0,0,0,2|0,0,0]=2 660 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 25121 [0,0,0,0,0,2|0,0,0]=2 661 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 W12967 [0,0,0,0,0,2|0,0,0]=2