0 B12R1.77 CCc1cccnc1C(=O)OC DA-32690 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.77 COC(=O)c1c(cccn1)C=C DA-32655 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.77 COc1ccccc1C(=N)NO DA-41394 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.77 COc1ccccc1C(C#N)O DA-26152 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.41 COCc1ccccc1C=O DA-27659 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.53 C=Cc1cccnc1C(=O)O DA-23202 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.53 CCc1cccnc1C(=O)O DA-23623 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.53 CNc1cnccc1C(=O)O DA-24866 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.53 COc1c(cccn1)C(=N)N DA-26033 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.53 COc1c(cncn1)C(=O)O DA-23099 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.53 COc1ccccc1C(=C)I DA-31749 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.53 COc1cccnc1C(=O)O DA-23425 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.53 c1cc(c(nc1)CBr)C(=O)O DA-26741 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.53 c1cncc(c1C(=O)O)C#N DA-48066 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.222 CNC(=O)c1cccnc1Cl DA-26356 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.222 CNC(=O)c1ccncc1N DA-24139 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.222 CNC(=O)c1cnccc1N DA-21455 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.222 Cc1c(cccn1)C(=O)CBr DA-26975 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.222 Cc1cccnc1C(=O)NN DA-23314 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.222 Cc1ccncc1C(=O)CBr DA-26959 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.222 Cc1ccncc1C(=O)NN DA-39064 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.222 c1ccc(c(c1)C(=O)CO)Cl DA-31414 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.107 COC(=O)c1cccc(c1C=O)O DA-32969 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.382 CCC(c1ccccc1OCC)N DA-31396 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.382 COC(=O)c1ccccc1CCO DA-33249 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.382 COC(=O)c1cccnc1NC=O DA-42728 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.464 CCCC(c1ccccc1OC)N DA-31355 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.464 CCOC(=O)c1cccnc1CBr DA-34429 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.547 CC(C)c1ccccc1C(=O)OC DA-32954 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.2065 COC(=O)c1ccc(cc1C=O)Cl DA-48467 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.2065 COc1cc(ncc1C(=O)OC)N DA-42536 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.2065 Cc1ccc(c(c1)C=O)C(=O)OC DA-41864 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.2065 Cc1ccc(c(n1)C=C)C(=O)OC DA-47032 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.2209 CCc1ccc(cc1C(=O)OC)Cl DA-32335 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.2209 CCc1ccc(cc1C(=O)OC)N DA-32371 [0,1,0,0,0,0|1,0,0]=2 35 B13R1.2209 COC(=O)c1cc(ccc1C=O)Br DA-48371 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.2209 COc1c(nc(cn1)Cl)C(=O)OC DA-43218 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.2209 Cc1ccc(c(n1)C(=O)OC)C#C DA-32688 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.2357 COc1c(c(ccn1)Cl)C(=O)OC DA-32475 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.2357 Cc1cccc(c1C(=O)OC)CCl DA-33124 [0,1,0,0,0,0|2,0,0]=3 40 B11R0.41 COC=C(C(=O)OC)C(=O)OC DA-34833 [0,0,1,0,0,0|2,0,1]=4 41 B13R2.371 Cc1c[nH]c(=O)c2c1cccc2 DA-39181 [0,0,0,1,0,0|2,0,1]=4 42 B11R1.59 CNc1c(ncs1)C(=O)OC DA-32395 [0,0,0,0,1,0|3,0,0]=4 43 B11R1.59 COC(=O)c1ccsc1C=O DA-43083 [0,0,0,0,1,0|3,0,0]=4 44 B13R1.91 COC(=O)Cc1ccccc1CCl DA-40150 [0,0,0,0,0,1|2,0,0]=3 45 B13R1.91 COC(=O)Cc1ccccc1CN DA-41469 [0,0,0,0,0,1|2,0,0]=3 46 B10R0.51 COC(=O)C(=CO)C(=O)OC DA-34834 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.20 CNc1ccccc1CO DA-42883 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.20 COc1cnccc1CO DA-48332 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.61 CC(=O)c1cnccc1Br DA-31034 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.61 CS(=O)c1ccccc1N DA-27649 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.61 Cc1ccccc1C(=C)I DA-31748 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.61 Cc1cccnc1C(=O)Cl DA-23313 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.61 c1c(c(cnn1)O)C(=O)O DA-37308 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.61 c1cc(c(=O)oc1)C(=O)O DA-25731 [2,0,0,0,0,0|1,0,1]=4 55 B10R1.15 CNC(=N)c1ccccc1 DA-42718 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.15 COC(=N)c1cccnc1 DA-42038 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.75 CC(C)Oc1ccccc1OC DA-29291 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.268 COCc1cc(ccc1OC)Br DA-21371 [1,1,0,0,0,0|0,0,1]=3 59 B12R1.268 COCc1cc(ccc1OC)N DA-39223 [1,1,0,0,0,0|0,0,1]=3 60 B12R1.268 COc1ccc(cc1CSC)N DA-39218 [1,1,0,0,0,0|0,1,1]=4 61 B12R1.46 COc1ccc(cc1C(=O)Cl)Br DA-37821 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.46 COc1ccc(cc1C(=O)N)Br DA-37822 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.46 Cc1ccc(c(n1)C(=O)O)OC DA-23436 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.46 c1cc(c(cc1Br)C(=O)O)C=O DA-42353 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.57 CC(=C)c1ccc(nc1OC)N DA-36067 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.57 CC(=O)c1ccc(cc1OC)Br DA-31739 [1,1,0,0,0,0|0,0,0]=2 67 B12R1.57 CC(=O)c1ccc(nc1OC)Br DA-46206 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.57 CCc1cc(ccc1C(=O)O)Br DA-39942 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.57 CNc1cc(ccc1C(=O)O)Br DA-39973 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.57 CNc1cc(ccc1C(=O)O)N DA-21478 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.57 COc1c(ccc(n1)Cl)C(=O)N DA-36321 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.57 COc1cc(ccc1C(=O)Cl)Br DA-42214 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.57 COc1cc(ccc1C(=O)N)Br DA-39924 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.57 COc1cc(cnc1C(=O)O)Cl DA-46646 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.57 Cc1ccc(c(n1)OC)C(=O)O DA-25986 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.57 c1cc(c(cc1Br)C=O)C(=O)O DA-39935 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.87 COc1c(cccc1Br)C(=O)N DA-24051 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.87 COc1c(cccc1F)C(=O)N DA-40986 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.261 CC(=O)c1cccnc1C(=O)O DA-24371 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.261 CC(C)c1cccnc1C(=O)O DA-23482 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.261 CS(=O)c1ccccc1C(=O)O DA-27648 [1,1,0,0,0,0|0,1,0]=3 82 B12R1.24 COC(=O)c1ccnc(c1F)Br DA-33017 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.24 COC(=O)c1ccnc(c1N)Cl DA-32780 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.24 COC(=O)c1cncc(c1O)Br DA-32351 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.24 Cc1c(cccc1Br)C(=O)NC DA-23913 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.24 Cc1c(cccc1F)C(=O)OC DA-43140 [1,1,0,0,0,0|0,0,0]=2 87 B12R1.124 CC(C(=O)c1ccccc1Cl)Br DA-26978 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.308 CCCC(=O)c1ccccc1Br DA-31450 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.308 CCOC(=O)c1c[nH]ccc1=O DA-33849 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.308 CCOC(=O)c1ccc[nH]c1=O DA-34260 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.308 CCOC(=O)c1cccnc1I DA-34286 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.308 CCOC(=O)c1cnccc1Cl DA-33889 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.354 COC(=O)c1c(ccc(n1)Cl)Br DA-32718 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.354 COC(=O)c1c(ccc(n1)F)Br DA-32717 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.354 COC(=O)c1cc(ccc1F)O DA-32974 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.354 COC(=O)c1cc(cnc1Br)Br DA-33080 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.354 COC(=O)c1cc(ncc1N)N DA-33081 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.354 Cc1ccc(c(c1)C(=O)CBr)O DA-26976 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.354 Cc1ccc(c(c1)C(=O)CCl)C DA-26707 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.354 Cc1ccc(c(c1)C(=O)OC)C DA-33078 [1,1,0,0,0,0|0,0,0]=2 101 B12R1.354 Cc1ccc(c(n1)C(=O)OC)Cl DA-32704 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.354 Cc1ccc(c(n1)C(=O)OC)N DA-32735 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.354 Cc1ccc(cc1C(=O)CCl)Br DA-30872 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.354 Cc1ccc(cc1C(=O)CCl)N DA-30881 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.354 Cc1ccc(cc1C(=O)NC)Br DA-46357 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.1703 CCC(=O)c1ccc(cc1C)Br DA-31081 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br DA-43569 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.1703 COC(=O)c1c(cc(cn1)Br)Cl DA-32354 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.1703 COC(=O)c1c(cc(cn1)O)Cl DA-46643 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.1703 COC(=O)c1ccc(cc1Cl)I DA-33004 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.1703 COC(=O)c1ccc(cc1F)I DA-43315 [1,1,0,0,0,0|1,0,0]=3 112 B12R1.1703 COC(=O)c1ccc(cc1N)O DA-42525 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.1703 COC(=O)c1cnc(cc1N)Cl DA-46647 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.1703 Cc1c(cnc(n1)Cl)C(=O)OC DA-33001 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.1703 c1cc(c(cc1Br)O)C(=O)NO DA-39810 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.1703 c1cc(c(cc1I)O)C(=O)NO DA-41774 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.3441 Cc1c(c(ccn1)Cl)C(=O)OC DA-32474 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.3441 Cc1cccc(c1C(=O)OC)Cl DA-39979 [1,1,0,0,0,0|0,0,0]=2 119 B12R1.3441 Cc1ccnc(c1C(=O)OC)Br DA-33014 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.1926 CCn1cc(cc1C(=O)OC)I DA-33331 [0,1,0,0,1,0|2,0,0]=4 121 B14R1.95 CN(C(=O)c1ccccc1OC)OC DA-27069 [0,1,0,0,0,1|2,0,0]=4 122 B14R1.95 CN(C(=O)c1ccccc1OC)OC DA-46285 [0,1,0,0,0,1|2,0,0]=4 123 B14R1.3417 COC(=O)Cc1ccc(cc1C#N)O DA-33254 [0,1,0,0,0,1|2,0,0]=4 124 B14R1.1711 CN(C)S(=O)(=O)c1ccccc1OC DA-25977 [0,2,0,0,0,0|2,0,0]=4 125 B14R1.1153 COC(=O)c1cccc(c1C(=O)O)F DA-46650 [0,2,0,0,0,0|2,0,0]=4 126 B14R1.1153 COC(=O)c1cccc(c1[N+](=O)[O-])Cl DA-42467 [0,2,0,0,0,0|2,0,0]=4 127 B14R1.3101 CCCc1c(cccc1O)C(=O)OC DA-32685 [0,2,0,0,0,0|1,0,0]=3 128 B14R1.7255 CCOC(=O)c1cc[nH]c(=O)c1OC DA-34696 [0,2,0,0,0,0|1,0,0]=3 129 B14R1.12530 COc1c(nc(nc1N)Cl)C(=O)OC DA-47813 [0,2,0,0,0,0|2,0,0]=4 130 B14R1.263 CCOC(=O)c1ccccc1CCBr DA-29008 [0,2,0,0,0,0|1,0,0]=3 131 B14R1.5122 CCOc1cc(ccc1C(=O)NC)N DA-21345 [0,2,0,0,0,0|1,0,0]=3 132 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Br DA-32501 [0,2,0,0,0,0|0,0,0]=2 133 B14R1.5122 CCOc1cc(ccc1C(=O)OC)I DA-32979 [0,2,0,0,0,0|0,0,0]=2 134 B14R1.5122 CCOc1cc(ncc1C(=O)NC)C DA-39454 [0,2,0,0,0,0|2,0,0]=4 135 B14R1.840 CC(C)OC(=O)c1ccccc1C=O DA-33491 [0,2,0,0,0,0|2,0,0]=4 136 B14R1.7233 CCOC(=O)c1ccc(cc1CBr)Br DA-33913 [0,2,0,0,0,0|2,0,0]=4 137 B14R1.7233 CCOC(=O)c1ccc(cc1OC)C DA-39980 [0,2,0,0,0,0|0,0,0]=2 138 B14R1.707 CN(C)c1c(cc(cn1)Br)C(=O)OC DA-32358 [0,2,0,0,0,0|2,0,0]=4 139 B14R1.707 COC(=O)c1cc(ccc1[N+](=O)[O-])O DA-32304 [0,2,0,0,0,0|2,0,0]=4 140 B14R1.1126 CN(C)c1cc(ccc1C(=O)OC)Br DA-32502 [0,2,0,0,0,0|1,0,0]=3 141 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])O DA-32451 [0,2,0,0,0,0|2,0,0]=4 142 B14R1.1164 COC(=O)c1c(cccc1Cl)[N+](=O)[O-] DA-41320 [0,2,0,0,0,0|2,0,0]=4 143 B14R1.1164 COC(=O)c1c(cccc1F)C(=O)Cl DA-46649 [0,2,0,0,0,0|2,0,0]=4 144 B14R1.346 Cc1c(c(nc(n1)Cl)OC)C(=O)OC DA-33002 [0,2,0,0,0,0|2,0,0]=4 145 B14R1.2287 COc1c(nc(c(n1)Cl)Cl)C(=O)OC DA-32388 [0,2,0,0,0,0|2,0,0]=4 146 B14R1.2287 COc1cc(c(cc1C(=O)OC)Br)F DA-32352 [0,2,0,0,0,0|0,0,0]=2 147 B14R1.2334 COc1c(cnc(n1)SC)C(=O)OC DA-32441 [0,2,0,0,0,0|2,0,0]=4 148 B14R1.2334 COc1cc(ccc1C(=O)OC)C=C DA-45139 [0,2,0,0,0,0|0,0,0]=2 149 B14R1.2304 COc1ccc(c(c1C(=O)OC)N)N DA-33086 [0,2,0,0,0,0|0,0,0]=2 150 B14R1.2167 COc1cccc(c1C(=O)OC)CBr DA-33125 [0,2,0,0,0,0|0,0,0]=2 151 B12R1.435 COC(=O)c1cc(cnc1)C=C DA-32279 [0,0,1,1,0,0|1,0,1]=4 152 B12R2.2028 c1ccc2c(c1)C(CC2=O)N DA-24334 [1,0,0,1,0,0|2,0,0]=4 153 B12R2.2403 CC1(COc2c1cccc2)C DA-24800 [1,0,0,1,0,0|1,0,1]=4 154 B14R2.95 COC(=O)C1CSc2c1cccc2 DA-42532 [0,0,0,1,0,1|0,1,0]=3 155 B14R2.11690 CN1Cc2cccc(c2C1=O)OC DA-35615 [0,1,0,1,0,0|1,0,0]=3 156 B14R2.8051 CC1CNC(=O)c2c1cccc2N DA-40933 [0,1,0,1,0,0|2,0,0]=4 157 B14R2.10782 COC(=O)c1cccc2c1csn2 DA-27557 [0,1,0,1,0,0|1,1,0]=4 158 B14R2.10782 COC(=O)c1cccc2c1ocn2 DA-47957 [0,1,0,1,0,0|0,0,1]=3 159 B14R2.92 COC1COc2ccccc2C1=O DA-23431 [0,1,0,1,0,0|0,0,0]=2 160 B14R2.11635 COc1cccc2c1C(=O)NCC2 DA-41486 [0,1,0,1,0,0|1,0,0]=3 161 B14R2.11691 COc1cccc2c1C(=O)NC2=O DA-39191 [0,1,0,1,0,0|1,0,1]=4 162 B14R2.29285 CC1(CNC(=O)c2c1cccc2)C DA-42953 [0,1,0,1,0,0|2,0,0]=4 163 B14R2.8719 c1cc2c(cc1Br)CCCCC2=O DA-26760 [0,1,0,1,0,0|2,0,0]=4 164 B14R2.29369 CN1CCc2cc(ccc2C1=O)O DA-24712 [0,1,0,1,0,0|2,0,0]=4 165 B10R1.39 CCc1ccoc1C(=O)O DA-23646 [1,0,0,0,1,0|2,0,0]=4 166 B10R1.149 COC(=O)c1c(cc[nH]1)Br DA-32727 [1,0,0,0,1,0|2,0,0]=4 167 B10R1.149 COC(=O)c1ccsc1Cl DA-32989 [1,0,0,0,1,0|2,0,0]=4 168 B10R1.149 Cc1cc[nH]c1C(=O)OC DA-32671 [1,0,0,0,1,0|1,0,0]=3 169 B10R1.149 Cc1cscc1C(=O)OC DA-32435 [1,0,0,0,1,0|1,0,0]=3 170 B14R1.863 COc1ccccc1OCC(=O)OC DA-33246 [0,0,0,0,0,2|0,0,0]=2