0 B12R1.5 BrCc1ccc(cc1)C(=O)OC PI-31123 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O PI-27217 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.5 C1=CC(=CC=C1C#N)C(=O)CBr PI-20520 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.5 C1=CC(=CC=C1C#N)C(=O)NN PI-44788 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.5 CCC(=O)c1ccc(cc1)OC PI-11534 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.5 CCC1=CC=C(C=C1)C(=O)NN PI-19800 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.5 CC[N+]1=CC=C(C=C1)C(=O)OC PI-17154 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.5 COC(=O)C1=CC=C(C=C1)C#C PI-46518 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.5 COC(=O)C1=CC=C(C=C1)CCl PI-24334 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.5 COC(=O)C1=CC=C(C=C1)CO PI-50464 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.5 COC(=O)C1=CN=C(C=C1)C=O PI-48291 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.5 COC(=O)C1=NC=C(C=C1)C=O PI-44040 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.5 COC(=O)c1ccc(cc1)C#N PI-31024 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.5 COC(=O)c1ccc(cc1)NC PI-30237 [0,0,0,0,0,0|1,0,0]=1 14 B12R1.5 COC(C1=CN=C(C=C1)CO)=O PI-33159 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr PI-13027 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl PI-30325 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.5 COC1=CC=C(C=C1)C(=O)CN PI-30558 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.5 COC1=CC=C(C=C1)C(=O)CO PI-29587 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.5 COC1=CC=C(C=C1)C(=O)NN PI-29486 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.5 COC1=CC=C(C=C1)C(=O)OC PI-31766 [0,0,0,0,0,0|0,0,0]=0 21 B12R1.5 COC1=NC=C(N=C1)C(=O)OC PI-50193 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 PI-11559 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.3 B(C1=CC=C(C=C1)SC)(O)O PI-23605 [1,0,0,0,0,0|1,1,1]=4 24 B11R1.3 B(C1=CN=C(C=C1)OC)(O)O PI-25496 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O PI-46517 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.3 C1=CC(=CC=C1C(=O)O)NN PI-11467 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.3 C1=CC(=NC=C1C(=O)O)NN PI-35028 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.3 C1=CC(=NC=C1C=O)C(=O)O PI-43981 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [1,0,0,0,0,0|0,1,0]=2 36 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [1,0,0,0,0,0|0,0,2]=3 37 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.3 CCc1ccc(cc1)B(O)O PI-28704 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] PI-26020 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.3 COC1=NC=C(C=C1)C(=S)N PI-26214 [1,0,0,0,0,0|2,1,0]=4 44 B11R1.3 COC1=NC=C(C=C1)[N+](=O)[O-] PI-16710 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.3 COc1ccc(cc1)B(O)O PI-11577 [1,0,0,0,0,0|1,0,1]=3 46 B11R1.3 COc1ccc(cc1)C(=N)N PI-38826 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [1,0,0,0,0,0|0,0,0]=1 48 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [1,0,0,0,0,0|1,0,0]=2 49 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [1,0,0,0,0,0|1,0,1]=3 50 B11R1.3 COc1ccc(cn1)B(O)O PI-25217 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.3 COc1ncc(nc1)C(=O)O PI-38849 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] PI-12010 [1,0,0,0,0,0|1,1,1]=4 55 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [1,0,0,0,0,0|0,0,2]=3 56 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.3 N#Cc1ccc(cc1)C(=O)Cl PI-20292 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.3 NC(=O)C1=CC=C(C=C1)C#N PI-30451 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.3 O=C(N)C1=CC=C(NN)C=C1 PI-41015 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 PI-27393 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.3 OC(=O)c1ccc(cc1)C#N PI-31249 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [1,0,0,0,0,0|0,0,0]=1 91 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [1,0,0,0,0,0|1,0,0]=2 96 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [1,0,0,0,0,0|1,0,0]=2 97 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [1,0,0,0,0,0|1,0,0]=2 98 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl PI-40861 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [1,0,0,0,0,0|1,0,1]=3 102 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [1,0,0,0,0,0|1,0,0]=2 103 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [1,0,0,0,0,0|1,0,0]=2 104 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [1,0,0,0,0,0|1,0,0]=2 106 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.22 NNC(=O)c1ccc(C)nc1 PI-24807 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [1,0,0,0,0,0|1,0,0]=2 112 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [1,0,0,0,0,0|2,0,0]=3 113 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [1,0,0,0,0,0|2,0,1]=4 114 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [1,0,0,0,0,0|2,0,1]=4 116 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.83 COCc1ccc(cc1)OC PI-35666 [1,0,0,0,0,0|0,0,1]=2 118 B11R1.83 COc1ccc(cc1)N=C=O PI-39302 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [1,0,0,0,0,0|2,0,1]=4 120 B13R1.36 CC(C(=O)C1=CC=C(C=C1)OC)Br PI-31563 [0,1,0,0,0,0|1,0,0]=2 121 B13R1.95 COc1ccc(C(=O)OC)c(O)c1 PI-10050 [0,1,0,0,0,0|0,0,0]=1 122 B13R1.139 CCOC1=CC=C(C=C1)C(=O)NN PI-50296 [0,1,0,0,0,0|2,0,0]=3 123 B13R1.139 CCOC1=CC=C(C=C1)C(=O)OC PI-25374 [0,1,0,0,0,0|0,0,0]=1 124 B13R1.139 COC(=O)C1=CC=C(C=C1)N=C=O PI-41820 [0,1,0,0,0,0|1,0,1]=3 125 B13R1.139 N#CCc1ccc(cc1)C(=O)OC PI-18888 [0,1,0,0,0,0|1,0,1]=3 126 B13R1.187 COC1=CC=C(C=C1)S(=O)(=O)NN PI-50363 [0,1,0,0,0,0|3,0,0]=4 127 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#N PI-18851 [0,1,0,0,0,0|2,0,0]=3 128 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C=C PI-49775 [0,1,0,0,0,0|1,0,1]=3 129 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr PI-22127 [0,1,0,0,0,0|2,0,0]=3 130 B13R1.452 CCOC(=O)C1=CN=C(N=C1)SC PI-40258 [0,1,0,0,0,0|2,1,0]=4 131 B13R1.452 CCOC(=O)c1ccc(OC)cc1 PI-31767 [0,1,0,0,0,0|0,0,0]=1 132 B13R1.452 CCOC(=O)c1ccc(cc1)CCl PI-24058 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N PI-29519 [0,1,0,0,0,0|1,0,1]=3 134 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl PI-12838 [0,1,0,0,0,0|1,0,0]=2 135 B13R1.452 COC1=CC=C(C=C1)C(CCO)N PI-30846 [0,1,0,0,0,0|2,0,1]=4 136 B13R1.537 BrCC(=O)c1ccc(cc1)N(C)C PI-38289 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.537 CC(=O)C1=CC=C(C=C1)C(=O)OC PI-29513 [0,1,0,0,0,0|1,0,0]=2 138 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)CBr PI-31562 [0,1,0,0,0,0|3,0,0]=4 139 B13R1.537 CCC(=O)C1=CC=C(C=C1)[N+](=O)[O-] PI-17061 [0,1,0,0,0,0|3,0,0]=4 140 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)NN PI-23371 [0,1,0,0,0,0|3,0,0]=4 141 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)Cl PI-17967 [0,1,0,0,0,0|2,0,0]=3 142 B13R1.537 COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] PI-50251 [0,1,0,0,0,0|2,0,0]=3 143 B13R1.537 COC(=O)C1=CN=C(C=C1)C(=O)O PI-33165 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.537 COC(=O)c1ccc(cc1)B(O)O PI-25993 [0,1,0,0,0,0|2,0,0]=3 145 B13R1.537 COC(=O)c1ccc(cc1)C(=O)O PI-31083 [0,1,0,0,0,0|2,0,0]=3 146 B13R1.3088 COC(=O)C1=CC(=C(C=C1)CBr)Cl PI-50478 [0,1,0,0,0,0|2,0,0]=3 147 B13R1.3088 COC(=O)C1=CN=C(OC)C(Br)=C1 PI-39699 [0,1,0,0,0,0|1,0,0]=2 148 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)Cl PI-30551 [0,1,0,0,0,0|0,0,0]=1 149 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)I PI-30513 [0,1,0,0,0,0|0,0,0]=1 150 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)N PI-10943 [0,1,0,0,0,0|0,0,0]=1 151 B13R1.3088 O=C(OC)C1=CN=C(OC)C(F)=C1 PI-46767 [0,1,0,0,0,0|1,0,0]=2 152 B13R2.2130 C1=CC(=CC2=C1C(CC2)=O)OC PI-11506 [0,0,0,1,0,0|1,0,0]=2 153 B13R2.2130 C1C2=C(C=CC(=C2)C#N)C(=O)O1 PI-10182 [0,0,0,1,0,0|2,0,0]=3 154 B13R2.2130 COc1ccc2c(c1)CCC2N PI-38852 [0,0,0,1,0,0|2,0,1]=4 155 B11R1.44 COC(=O)C1=CC=C(O1)C=O PI-44005 [0,0,0,0,1,0|3,0,0]=4 156 B11R1.44 COC(=O)c1ccc(o1)CCl PI-17913 [0,0,0,0,1,0|3,0,0]=4 157 B11R1.44 COC(=O)c1csc(c1)C=O PI-10166 [0,0,0,0,1,0|3,0,0]=4 158 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PI-27641 [0,0,0,0,0,1|3,0,0]=4 159 B13R1.5 COC(=O)CC1=CC=C(C=C1)C#N PI-50503 [0,0,0,0,0,1|2,0,0]=3 160 B13R1.5 COC(=O)CC1=CC=C(C=C1)CBr PI-43975 [0,0,0,0,0,1|2,0,0]=3 161 B13R1.5 COC(=O)CC1=CC=C(C=C1)CO PI-50593 [0,0,0,0,0,1|2,0,0]=3 162 B13R1.5 COC1=CC=C(C=C1)CC(=O)NN PI-50357 [0,0,0,0,0,1|2,0,0]=3 163 B13R1.5 COC1=CC=C(C=C1)CC(=O)OC PI-50355 [0,0,0,0,0,1|0,0,0]=1 164 B13R1.5 COC1=CC=C(C=C1)NC(=S)NN PI-29569 [0,0,0,0,0,1|2,1,0]=4 165 B10R1.3 C1=CC(=CC=C1C=O)C#N PI-31014 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [2,0,0,0,0,0|1,0,0]=3 170 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [2,0,0,0,0,0|1,0,1]=4 171 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [2,0,0,0,0,0|0,1,1]=4 172 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [2,0,0,0,0,0|0,0,1]=3 173 B10R1.3 COC1=NC=C(C=C1)C=O PI-10317 [2,0,0,0,0,0|1,0,0]=3 174 B10R1.3 COc1ccc(cc1)C#C PI-30919 [2,0,0,0,0,0|0,0,2]=4 175 B10R1.3 COc1ccc(cc1)C=C PI-34180 [2,0,0,0,0,0|0,0,1]=3 176 B10R1.3 COc1ccc(cc1)SC PI-12000 [2,0,0,0,0,0|0,1,0]=3 177 B10R1.3 COc1ccc(nc1)C=O PI-39039 [2,0,0,0,0,0|1,0,0]=3 178 B10R1.3 CSC1=CC=C(C=C1)CO PI-30503 [2,0,0,0,0,0|0,1,1]=4 179 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [2,0,0,0,0,0|0,1,0]=3 180 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [2,0,0,0,0,0|1,0,1]=4 181 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [2,0,0,0,0,0|1,0,1]=4 182 B10R1.3 NNc1ccc(cc1)OC PI-25299 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.3 O=Cc1ccc(C#C)cc1 PI-26824 [2,0,0,0,0,0|1,0,1]=4 184 B10R1.3 O=Cc1ccc(cc1)C=O PI-38472 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [2,0,0,0,0,0|1,0,1]=4 186 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [2,0,0,0,0,0|1,0,0]=3 192 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [2,0,0,0,0,0|1,0,0]=3 193 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [2,0,0,0,0,0|0,1,0]=3 194 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [2,0,0,0,0,0|1,0,1]=4 195 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [2,0,0,0,0,0|1,0,1]=4 200 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [2,0,0,0,0,0|1,0,1]=4 201 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [2,0,0,0,0,0|1,0,1]=4 202 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [2,0,0,0,0,0|1,0,0]=3 203 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [2,0,0,0,0,0|1,0,0]=3 204 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [2,0,0,0,0,0|1,0,0]=3 207 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [2,0,0,0,0,0|0,0,0]=2 208 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [2,0,0,0,0,0|0,0,0]=2 210 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [2,0,0,0,0,0|1,0,0]=3 211 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [2,0,0,0,0,0|1,1,0]=4 212 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [2,0,0,0,0,0|0,0,2]=4 213 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [2,0,0,0,0,0|0,0,2]=4 214 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [2,0,0,0,0,0|0,0,2]=4 215 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [2,0,0,0,0,0|1,0,0]=3 216 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [2,0,0,0,0,0|0,0,2]=4 217 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [2,0,0,0,0,0|1,0,1]=4 218 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [2,0,0,0,0,0|1,0,0]=3 220 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [2,0,0,0,0,0|1,0,0]=3 225 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [2,0,0,0,0,0|1,0,0]=3 226 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [2,0,0,0,0,0|1,1,0]=4 228 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [2,0,0,0,0,0|1,0,1]=4 235 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [2,0,0,0,0,0|1,0,1]=4 238 B10R1.1 CCOc1ccc(cc1)O PI-27806 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [2,0,0,0,0,0|1,0,0]=3 244 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [2,0,0,0,0,0|1,0,0]=3 245 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [2,0,0,0,0,0|2,0,0]=4 246 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [2,0,0,0,0,0|1,0,0]=3 247 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [2,0,0,0,0,0|2,0,0]=4 248 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.15 COC(=O)c1ccccn1 PI-33273 [2,0,0,0,0,0|1,0,0]=3 250 B10R1.15 COC(=O)c1ccncn1 PI-36498 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [2,0,0,0,0,0|2,0,0]=4 253 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)O PI-45415 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)Cl PI-24684 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.48 B(C1=CC(=C(C=C1)OC)C)(O)O PI-19231 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.48 B(C1=CC(=C(C=C1)OC)Cl)(O)O PI-49984 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.48 B(C1=CC(=C(C=C1)OC)F)(O)O PI-31069 [1,1,0,0,0,0|1,0,1]=4 258 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl PI-30545 [1,1,0,0,0,0|0,0,0]=2 259 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)I PI-30933 [1,1,0,0,0,0|0,0,0]=2 260 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)O PI-27034 [1,1,0,0,0,0|1,0,0]=3 261 B12R1.48 COC1=C(C=C(C=C1)C(=O)Cl)F PI-23716 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N PI-11538 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br PI-30998 [1,1,0,0,0,0|0,0,0]=2 264 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F PI-13362 [1,1,0,0,0,0|0,0,0]=2 265 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N PI-30426 [1,1,0,0,0,0|0,0,0]=2 266 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O PI-10869 [1,1,0,0,0,0|0,0,0]=2 267 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Br PI-22191 [1,1,0,0,0,0|1,0,1]=4 268 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-29624 [1,1,0,0,0,0|1,0,1]=4 269 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])F PI-28551 [1,1,0,0,0,0|1,0,1]=4 270 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])[O-] PI-27834 [1,1,0,0,0,0|1,0,1]=4 271 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)F PI-50022 [1,1,0,0,0,0|1,0,0]=3 272 B12R1.48 COc1ccc(cc1Br)C(=O)C PI-21565 [1,1,0,0,0,0|0,0,0]=2 273 B12R1.48 COc1ccc(cc1Cl)C(=O)O PI-30550 [1,1,0,0,0,0|0,0,0]=2 274 B12R1.48 COc1ccc(cc1F)C(=O)C PI-16157 [1,1,0,0,0,0|0,0,0]=2 275 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] PI-13703 [1,1,0,0,0,0|1,0,1]=4 276 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] PI-15695 [1,1,0,0,0,0|1,0,1]=4 277 B12R1.48 COc1ccc(nc1Br)C(=O)O PI-38347 [1,1,0,0,0,0|1,0,0]=3 278 B12R1.48 O=C(O)C1=CC=C(C#N)C(F)=C1 PI-37119 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.48 O=C(O)C1=CC=C(C=O)C(O)=C1 PI-33362 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.113 B(C1=CC=C(C=C1)OCC)(O)O PI-29355 [1,1,0,0,0,0|1,0,1]=4 281 B12R1.113 C1=CC(=CC=C1C(=O)O)N=C=S PI-23095 [1,1,0,0,0,0|1,0,1]=4 282 B12R1.113 CC(=O)C1=CC=C(C=C1)CCBr PI-29574 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.113 CC(=O)C1=CC=C(C=C1)CCCl PI-29851 [1,1,0,0,0,0|1,0,0]=3 284 B12R1.113 CCCC1=CC=C(C=C1)C(=O)C PI-12355 [1,1,0,0,0,0|1,0,0]=3 285 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C PI-12228 [1,1,0,0,0,0|0,0,0]=2 286 B12R1.113 CCOC1=CC=C(C=C1)C(=O)Cl PI-25220 [1,1,0,0,0,0|1,0,0]=3 287 B12R1.113 CCOC1=CC=C(C=C1)C(=O)N PI-25676 [1,1,0,0,0,0|1,0,0]=3 288 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O PI-50295 [1,1,0,0,0,0|0,0,0]=2 289 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O PI-49822 [1,1,0,0,0,0|0,0,2]=4 290 B12R1.113 COCc1ccc(cc1)B(O)O PI-36858 [1,1,0,0,0,0|1,0,1]=4 291 B12R1.113 O=C=Nc1ccc(cc1)C(=O)C PI-29630 [1,1,0,0,0,0|1,0,1]=4 292 B12R1.256 B(C1=CC=C(C=C1)C(=O)C)(O)O PI-16433 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.256 CC(=C)C1=CC=C(C=C1)C(=C)C PI-50178 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C PI-29027 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C PI-29338 [1,1,0,0,0,0|1,0,0]=3 296 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O PI-10308 [1,1,0,0,0,0|1,0,0]=3 297 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C PI-12756 [1,1,0,0,0,0|1,0,0]=3 298 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O PI-10224 [1,1,0,0,0,0|1,0,0]=3 299 B12R1.256 CC(C)C1=NC=C(C=C1)C(=O)C PI-44046 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.256 CC(C1=CC=C(C=C1)C(=O)N)O PI-44117 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.256 CN(c1ccc(cc1)C(=O)O)C PI-33461 [1,1,0,0,0,0|1,0,0]=3 302 B12R1.256 NC(=O)c1ccc(cc1)C(=O)O PI-24516 [1,1,0,0,0,0|2,0,0]=4 303 B12R1.256 OB(c1ccc(cc1)C(=O)O)O PI-10310 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.452 B(C1=C(C=C(C=C1)OC)Cl)(O)O PI-40453 [1,1,0,0,0,0|1,0,1]=4 305 B12R1.452 B(C1=C(C=C(C=C1)OC)F)(O)O PI-27223 [1,1,0,0,0,0|1,0,1]=4 306 B12R1.452 C1=CC(=C(C=C1C#N)F)C(=O)O PI-20302 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC PI-41092 [1,1,0,0,0,0|0,0,0]=2 308 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F PI-12716 [1,1,0,0,0,0|0,0,0]=2 309 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N PI-30608 [1,1,0,0,0,0|0,0,0]=2 310 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O PI-11034 [1,1,0,0,0,0|0,0,0]=2 311 B12R1.452 CC1=C(C=CC(=C1)OC)[N+](=O)[O-] PI-26719 [1,1,0,0,0,0|1,0,1]=4 312 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl PI-33352 [1,1,0,0,0,0|0,0,0]=2 313 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I PI-50080 [1,1,0,0,0,0|0,0,0]=2 314 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O PI-10049 [1,1,0,0,0,0|0,0,0]=2 315 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])F PI-29599 [1,1,0,0,0,0|1,0,1]=4 316 B12R1.452 COc1ccc(C(=O)N)c(O)c1 PI-32435 [1,1,0,0,0,0|1,0,0]=3 317 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] PI-36894 [1,1,0,0,0,0|1,0,1]=4 318 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] PI-29347 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] PI-29863 [1,1,0,0,0,0|1,0,1]=4 320 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Cl)[O-] PI-41816 [1,1,0,0,0,0|1,0,1]=4 321 B12R1.452 OB(C1=CC=C(OC)C=C1C)O PI-25327 [1,1,0,0,0,0|1,0,1]=4 322 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)NC PI-33427 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br PI-17566 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl PI-12841 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F PI-28418 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N PI-29894 [1,1,0,0,0,0|1,0,1]=4 327 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl PI-12818 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F PI-26766 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [1,1,0,0,0,0|1,0,0]=3 330 B12R1.16 CCOC(=N)c1ccc(cc1)Br PI-36927 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br PI-50243 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C PI-50598 [1,1,0,0,0,0|0,0,0]=2 333 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl PI-34232 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F PI-16489 [1,1,0,0,0,0|1,0,0]=3 335 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N PI-12742 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.16 CCOC(=O)C1=CN=C(C=C1)C PI-40838 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl PI-16734 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.16 CCOC(=O)C1=CN=C(C=C1)N PI-31799 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N PI-31925 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.16 CCOC(=O)C1=NC=C(N=C1)C PI-50302 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.16 CCOC(=O)c1ccc(cc1)N PI-38042 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.16 COCC(=O)C1=CC=C(C=C1)O PI-44114 [1,1,0,0,0,0|0,0,0]=2 343 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Br PI-46942 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Cl PI-20114 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.20 CC(C(=O)C1=CC=C(C=C1)O)Br PI-31561 [1,1,0,0,0,0|1,0,0]=3 346 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Cl PI-12317 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)N PI-30814 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O PI-12891 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.367 C1=CC(=C(C=C1C(=O)NN)O)O PI-30566 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Br PI-30048 [1,1,0,0,0,0|0,0,0]=2 351 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)C PI-30556 [1,1,0,0,0,0|0,0,0]=2 352 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Cl PI-32079 [1,1,0,0,0,0|0,0,0]=2 353 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44887 [1,1,0,0,0,0|0,0,0]=2 354 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44912 [1,1,0,0,0,0|0,0,0]=2 355 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)N PI-28231 [1,1,0,0,0,0|0,0,0]=2 356 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)Br PI-22130 [1,1,0,0,0,0|1,0,0]=3 357 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)N PI-20693 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)Cl PI-12719 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)Br PI-17446 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F PI-17410 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)O PI-17412 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)O PI-50476 [1,1,0,0,0,0|1,0,0]=3 363 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Cl PI-18437 [1,1,0,0,0,0|1,0,0]=3 364 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)F PI-50576 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.367 COC(=O)C1=CC(=C(C=C1)I)N PI-40951 [1,1,0,0,0,0|1,0,0]=3 366 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Br PI-50477 [1,1,0,0,0,0|1,0,0]=3 367 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O PI-30817 [1,1,0,0,0,0|1,0,0]=3 368 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)Br PI-34712 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)O PI-48213 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 PI-41936 [1,1,0,0,0,0|1,0,0]=3 371 B12R1.367 COC(=O)c1ccc(O)c(C)c1 PI-36002 [1,1,0,0,0,0|0,0,0]=2 372 B12R1.367 COC(=O)c1ccc(O)c(I)c1 PI-36756 [1,1,0,0,0,0|0,0,0]=2 373 B12R1.367 COC(=O)c1ccc(O)c(O)c1 PI-18336 [1,1,0,0,0,0|0,0,0]=2 374 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O PI-30567 [1,1,0,0,0,0|0,0,0]=2 375 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl PI-18531 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.367 COC(=O)c1ccc(c(c1)N)N PI-30534 [1,1,0,0,0,0|1,0,0]=3 377 B12R1.367 COC(=O)c1ccc(c(c1)N)O PI-39416 [1,1,0,0,0,0|0,0,0]=2 378 B12R1.367 O=C(OC)C1=CN=C(N)C(Br)=C1 PI-37123 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.367 OC1=CC=C(C([O-4][K+2])=O)C=C1O PI-50444 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CBr PI-30376 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CCl PI-50684 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN PI-50279 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.1703 CC1=C(C=CC(=C1)Cl)C(=O)OC PI-50465 [1,1,0,0,0,0|1,0,0]=3 384 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC PI-50475 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PI-29413 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.1703 CC1=CC(=C(C=C1)C(=O)OC)O PI-28558 [1,1,0,0,0,0|0,0,0]=2 387 B12R1.1703 CC1=CC(=CN=C1C(=O)OC)Br PI-48295 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Cl)Cl PI-17228 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.1703 CCC(=O)c1ccc(cc1F)F PI-28864 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 PI-39273 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)Cl PI-50469 [1,1,0,0,0,0|1,0,0]=3 392 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)N PI-33943 [1,1,0,0,0,0|1,0,0]=3 393 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)O PI-43951 [1,1,0,0,0,0|1,0,0]=3 394 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl PI-30511 [1,1,0,0,0,0|1,0,0]=3 395 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)F PI-44533 [1,1,0,0,0,0|1,0,0]=3 396 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)N PI-11781 [1,1,0,0,0,0|1,0,0]=3 397 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl PI-33820 [1,1,0,0,0,0|1,0,0]=3 398 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)F PI-28041 [1,1,0,0,0,0|1,0,0]=3 399 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PI-33942 [1,1,0,0,0,0|1,0,0]=3 400 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PI-18539 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl PI-36171 [1,1,0,0,0,0|0,0,0]=2 402 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O PI-10048 [1,1,0,0,0,0|0,0,0]=2 403 B12R1.1703 COC(=O)C1=NC=C(C=C1Cl)Br PI-44607 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PI-33141 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C PI-42589 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F PI-42389 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [1,1,0,0,0,0|1,0,1]=4 408 B12R1.4 COc1ccc(cc1)CC(=O)C PI-12198 [1,1,0,0,0,0|1,0,1]=4 409 B12R1.71 COC1=CC=C(C=C1)CCCCl PI-19747 [1,1,0,0,0,0|1,0,1]=4 410 B12R1.71 OCCCc1ccc(cc1)OC PI-40026 [1,1,0,0,0,0|1,0,1]=4 411 B12R1.116 COCc1ccc(cc1)COC PI-31993 [1,1,0,0,0,0|0,0,1]=3 412 B12R1.608 CCC1=CC(=C(S1)N)C(=O)OC PI-15915 [0,1,0,0,1,0|2,0,0]=4 413 B14R1.3 CN(C)C(=O)CC1=CC=C(C=C1)OC PI-10961 [0,1,0,0,0,1|1,0,0]=3 414 B14R1.24 CCOC1=CC=C(C=C1)CC(=O)NN PI-50453 [0,1,0,0,0,1|2,0,0]=4 415 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)OC PI-50356 [0,1,0,0,0,1|0,0,0]=2 416 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)SC PI-32850 [0,1,0,0,0,1|0,1,0]=3 417 B14R1.2879 COC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] PI-50437 [0,1,0,0,0,1|2,0,0]=4 418 B14R1.2879 COC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] PI-50523 [0,1,0,0,0,1|2,0,0]=4 419 B14R1.1128 B(C1=CC(=C(C=C1)C(=O)OC)F)(O)O PI-25615 [0,2,0,0,0,0|2,0,0]=4 420 B14R1.1128 COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-30117 [0,2,0,0,0,0|2,0,0]=4 421 B14R1.1128 COC(=O)c1ccc(cc1Br)[N+](=O)[O-] PI-18044 [0,2,0,0,0,0|2,0,0]=4 422 B14R1.1128 COC(=O)c1ccc(cc1Cl)B(O)O PI-25721 [0,2,0,0,0,0|2,0,0]=4 423 B14R1.1128 COC(=O)c1ccc(cc1N)C(=O)O PI-17293 [0,2,0,0,0,0|2,0,0]=4 424 B14R1.2334 COC1=CC(=C(C=C1)C(=O)CBr)OC PI-21662 [0,2,0,0,0,0|2,0,0]=4 425 B14R1.2334 COC1=CC(=C(C=C1)C(=O)NN)OC PI-50381 [0,2,0,0,0,0|2,0,0]=4 426 B14R1.2334 COC1=CC(=C(C=C1)C(=O)OC)OC PI-24237 [0,2,0,0,0,0|0,0,0]=2 427 B14R1.25 CCOC(=O)C1=CC=C(C=C1)N=C=O PI-19423 [0,2,0,0,0,0|1,0,1]=4 428 B14R1.25 CCOC(=O)C1=CC=C(C=C1)N=C=S PI-22029 [0,2,0,0,0,0|1,0,1]=4 429 B14R1.25 CCOC1=CC=C(C=C1)C(=O)OCC PI-13208 [0,2,0,0,0,0|0,0,0]=2 430 B14R1.717 CC(C)OC1=CC=C(C=C1)C(=O)OC PI-19493 [0,2,0,0,0,0|0,0,0]=2 431 B14R1.718 COC(=O)C1=CN=C(C=C1)C(=O)OC PI-29959 [0,2,0,0,0,0|1,0,0]=3 432 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)C PI-38960 [0,2,0,0,0,0|1,0,0]=3 433 B14R1.610 CCOC(=O)C1=CC=C(C=C1)N(C)C PI-32928 [0,2,0,0,0,0|1,0,0]=3 434 B14R1.610 CCOC(=O)c1ccc(cc1)B(O)O PI-25568 [0,2,0,0,0,0|2,0,0]=4 435 B14R1.926 CCCCC(=O)C1=CC=C(C=C1)OC PI-16248 [0,2,0,0,0,0|1,0,0]=3 436 B14R1.926 COC1=CC=C(C=C1)C(=O)CCCCl PI-13652 [0,2,0,0,0,0|1,0,0]=3 437 B14R1.719 C1=CC(=CC=C1C(F)(F)F)C(OC)=O PI-28352 [0,2,0,0,0,0|2,0,0]=4 438 B14R1.747 CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-] PI-18380 [0,2,0,0,0,0|2,0,0]=4 439 B14R1.747 COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O PI-30872 [0,2,0,0,0,0|2,0,0]=4 440 B14R1.747 COC(=O)c1ccc(c(c1)F)B(O)O PI-38226 [0,2,0,0,0,0|2,0,0]=4 441 B14R1.1864 BrCC(=O)c1ccc(OC)c(OC)c1 PI-21665 [0,2,0,0,0,0|2,0,0]=4 442 B14R1.1864 COC1=C(C=C(C=C1)C(=O)NN)OC PI-23189 [0,2,0,0,0,0|2,0,0]=4 443 B14R1.1864 COC1=C(C=CC(=C1)C(=O)OC)C=O PI-44122 [0,2,0,0,0,0|2,0,0]=4 444 B14R1.1864 COC1=C(C=CC(=C1)C(=O)OC)CBr PI-22126 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.24 CC1=C(C(=CC=C1)C(=O)OC)N PI-31514 [0,0,1,1,0,0|2,0,0]=4 446 B12R1.78 COc1cc(OC)ccc1C=O PI-10207 [0,0,1,1,0,0|2,0,0]=4 447 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O PI-40929 [1,0,0,1,0,0|1,0,0]=3 448 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [1,0,0,1,0,0|2,0,0]=4 449 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [1,0,0,1,0,0|2,0,0]=4 450 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [1,0,0,1,0,0|2,0,0]=4 451 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [1,0,0,1,0,0|1,0,0]=3 452 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [1,0,0,1,0,0|2,0,0]=4 453 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [1,0,0,1,0,0|1,0,0]=3 454 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [1,0,0,1,0,0|2,0,0]=4 455 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [1,0,0,1,0,0|2,0,0]=4 456 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [1,0,0,1,0,0|2,0,0]=4 457 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [1,0,0,1,0,0|2,0,0]=4 458 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [1,0,0,1,0,0|1,0,0]=3 459 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [1,0,0,1,0,0|1,0,0]=3 460 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [1,0,0,1,0,0|1,0,0]=3 461 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [1,0,0,1,0,0|1,0,0]=3 462 B12R2.44 COC1=CC2=C(C=C1)NCC2 PI-36188 [1,0,0,1,0,0|2,0,0]=4 463 B12R2.44 COC1=CC2=C(CNC2)C=C1 PI-48286 [1,0,0,1,0,0|1,0,1]=4 464 B12R2.44 COc1ccc2c(c1)[nH]cc2 PI-22794 [1,0,0,1,0,0|2,0,0]=4 465 B14R2.2332 COc1ccc2CC(=O)CCc2c1 PI-16454 [0,0,0,1,0,1|1,0,0]=3 466 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O PI-29557 [0,0,0,1,0,1|2,0,0]=4 467 B14R2.329 CCC1=CC=C(C=C1)C(=O)C2CC2 PI-17837 [0,1,0,1,0,0|2,0,0]=4 468 B14R2.329 COc1ccc(cc1)C(=O)C2CC2 PI-17839 [0,1,0,1,0,0|1,0,0]=3 469 B14R2.1815 COc1ccc2c(c1)NC(=O)C2=O PI-35970 [0,1,0,1,0,0|2,0,0]=4 470 B14R2.1801 COC1=CC2=C(C=C1)C(=O)COC2 PI-32722 [0,1,0,1,0,0|0,0,0]=2 471 B14R2.1801 COC1=CC=C2C(NCCC2=C1)=O PI-41879 [0,1,0,1,0,0|1,0,0]=3 472 B14R2.1801 COc1ccc2c(c1)CCCC2=O PI-12378 [0,1,0,1,0,0|1,0,0]=3 473 B14R2.1801 COc1ccc2c(c1)OCCC2=O PI-32701 [0,1,0,1,0,0|1,0,0]=3 474 B14R2.966 C1OC2=C(O1)C=C(C=C2)C(=O)CBr PI-14380 [0,1,0,1,0,0|2,0,0]=4 475 B14R2.966 C1OC2=C(O1)C=C(C=C2)C(=O)NN PI-50312 [0,1,0,1,0,0|2,0,0]=4 476 B14R2.966 COC(=O)C1=CC2=C(C=C1)C=CN2 PI-10019 [0,1,0,1,0,0|1,0,1]=4 477 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 PI-16831 [0,1,0,1,0,0|1,0,1]=4 478 B14R2.966 COC(=O)C1=CC2=C(C=C1)OCO2 PI-50676 [0,1,0,1,0,0|0,0,0]=2 479 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 PI-41676 [0,1,0,1,0,0|1,0,1]=4 480 B14R2.966 COC(=O)C1=CC2=NSN=C2C=C1 PI-29249 [0,1,0,1,0,0|1,1,0]=4 481 B14R2.966 COC(=O)c1ccc2CCNc2c1 PI-36076 [0,1,0,1,0,0|1,0,0]=3 482 B14R2.966 COC(=O)c1ccc2NCCc2c1 PI-36106 [0,1,0,1,0,0|1,0,0]=3 483 B14R2.966 COC(=O)c1ccc2[nH]nnc2c1 PI-29064 [0,1,0,1,0,0|2,0,0]=4 484 B14R2.966 COC(=O)c1ccc2c(c1)[nH]nc2 PI-38590 [0,1,0,1,0,0|2,0,0]=4 485 B14R2.966 COC(=O)c1ccc2c(c1)cn[nH]2 PI-38592 [0,1,0,1,0,0|1,0,1]=4 486 B14R2.1812 COC1=CC2=C(C=C1)C(=O)OC2=O PI-33847 [0,1,0,1,0,0|0,0,1]=3 487 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [1,0,0,0,1,0|2,0,0]=4 488 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [1,0,0,0,1,0|1,1,0]=4 489 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [1,0,0,0,1,0|1,0,0]=3 490 B10R1.14 CC1=NC(=CO1)C(=O)OC PI-48165 [1,0,0,0,1,0|2,0,0]=4 491 B10R1.14 CCC(=O)C1=CC=C(O1)C PI-17359 [1,0,0,0,1,0|2,0,0]=4 492 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [1,0,0,0,1,0|2,0,0]=4 493 B10R1.14 COC(=O)C1=CC=C(S1)Cl PI-45460 [1,0,0,0,1,0|2,0,0]=4 494 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [1,0,0,0,1,0|2,0,0]=4 495 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [1,0,0,0,1,0|2,0,0]=4 496 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [1,0,0,0,1,0|2,0,0]=4 497 B10R1.14 COC(=O)c1cc(no1)O PI-36768 [1,0,0,0,1,0|2,0,0]=4 498 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [1,0,0,0,1,0|1,0,0]=3 499 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [1,0,0,0,1,0|1,0,0]=3 500 B10R1.14 O=C(C1=CSC(Br)=C1)OC PI-46727 [1,0,0,0,1,0|2,0,0]=4 501 B10R1.14 O=C(C1=CSC(C)=N1)OC PI-40824 [1,0,0,0,1,0|2,0,0]=4 502 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [1,0,0,0,0,1|2,0,0]=4 503 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [1,0,0,0,0,1|2,0,0]=4 504 B12R1.49 CCC(=O)SC1=CC=C(C=C1)C PI-19241 [1,0,0,0,0,1|1,0,0]=3 505 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [1,0,0,0,0,1|1,0,0]=3 506 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [1,0,0,0,0,1|1,0,0]=3 507 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [1,0,0,0,0,1|1,0,0]=3 508 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [1,0,0,0,0,1|1,0,0]=3 509 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [1,0,0,0,0,1|0,0,0]=2 510 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [1,0,0,0,0,1|0,0,0]=2 511 B12R1.435 CCC(=O)C1=CC(=CC=C1)OC PI-49387 [0,0,0,0,1,1|1,0,0]=3 512 B12R1.435 COC(=O)C1=CC(=NC=C1)C#N PI-44381 [0,0,0,0,1,1|2,0,0]=4 513 B12R1.435 COC(=O)C1=CC=CC(=C1)C#N PI-45902 [0,0,0,0,1,1|2,0,0]=4 514 B12R1.435 COC(=O)C1=CC=CC(=C1)CBr PI-30071 [0,0,0,0,1,1|2,0,0]=4 515 B12R1.435 COC(=O)c1cccc(C=O)c1 PI-27667 [0,0,0,0,1,1|2,0,0]=4 516 B12R1.435 COC1=CC(=NC=C1)C(=O)OC PI-26535 [0,0,0,0,1,1|0,0,0]=2 517 B12R1.435 COC1=CC=CC(=C1)C(=O)CBr PI-21567 [0,0,0,0,1,1|2,0,0]=4 518 B12R1.435 COC1=CC=CC(=C1)C(=O)OC PI-50321 [0,0,0,0,1,1|0,0,0]=2 519 B14R1.5 COC(=O)\C=C\c1ccc(cc1)C=O PI-42622 [0,0,0,0,0,2|2,0,0]=4 520 B14R1.5 COC1=CC=C(C=C1)C=CC(=O)OC PI-12925 [0,0,0,0,0,2|0,0,0]=2 521 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NN PI-50408 [0,0,0,0,0,2|2,0,0]=4