0 B7R1.4 BrC1=C(CCC1)Br MCULE-2617233515 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.4 C=C1CCCC1O MCULE-3026250203 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.4 C=C1COCC1N MCULE-4632261286 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.4 C=C1COCC1N MCULE-7153575301 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.4 CC1=C(C=CO1)N MCULE-8304976100 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.4 CC1=C(C=NO1)N MCULE-4982899453 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.4 CC1=C(C=NO1)N MCULE-8792251798 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.4 CC1=NC=CN1N MCULE-7103111251 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.4 CC1=NN=CN1N MCULE-8780068025 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.4 CC1=NN=CN1N MCULE-9538506326 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.4 CC1CCCC1N MCULE-4318156403 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.4 CC1CCCC1N MCULE-4434172193 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.4 CC1OCCC1N MCULE-4343663724 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.4 CC1OCCC1N MCULE-9003879039 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.4 CC1OCCC1O MCULE-6904695721 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.4 CC1OCCC1S MCULE-9127694888 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.4 CC1SCCC1N MCULE-5160182865 [0,0,0,0,0,0|2,1,1]=4 34 B7R1.4 CC1SCCC1N MCULE-8827106279 [0,0,0,0,0,0|2,1,1]=4 35 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [0,0,0,0,0,0|2,0,2]=4 36 B7R1.4 CN1C=NNC1=O MCULE-2122203722 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [0,0,0,0,0,0|2,0,1]=3 38 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,0,0,0,0,0|2,0,0]=2 39 B7R1.4 CN1CCCC1=S MCULE-1990879544 [0,0,0,0,0,0|2,1,0]=3 40 B7R1.4 CN1CCN=C1N MCULE-2837197751 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.4 CN1CCN=C1N MCULE-3453498956 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.4 CN1CCN=C1N MCULE-5148335318 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,0,0,0,0,0|2,0,0]=2 44 B7R1.4 CN1CCNC1=S MCULE-5960493935 [0,0,0,0,0,0|2,1,0]=3 45 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,0,0,0,0,0|1,0,0]=1 46 B7R1.4 CN1CCSC1=N MCULE-4301061048 [0,0,0,0,0,0|2,1,0]=3 47 B7R1.4 CN1CCSC1=N MCULE-6525392774 [0,0,0,0,0,0|2,1,0]=3 48 B7R1.4 CN1CCSC1=S MCULE-4468510205 [0,0,0,0,0,0|1,2,0]=3 49 B7R1.4 CN1CNCC1=O MCULE-2252466841 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.4 CN1NC=NC1=O MCULE-2476320995 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.4 CN1SC=CC1=O MCULE-3887229553 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.4 CN1SC=CC1=O MCULE-5825912822 [0,0,0,0,0,0|3,0,1]=4 55 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-6206070680 [0,0,0,0,0,0|3,0,1]=4 56 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-9964938082 [0,0,0,0,0,0|3,0,1]=4 57 B7R1.4 C[C@@H]1CCC[C@H]1N MCULE-8385969474 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,0,0,0,0,0|3,0,0]=3 59 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [0,0,0,0,0,0|2,0,1]=3 60 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [0,0,0,0,0,0|2,0,1]=3 61 B7R1.4 C[C@H]1CCC[C@@H]1N MCULE-4150988023 [0,0,0,0,0,0|3,0,1]=4 62 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-3329868072 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-4186145172 [0,0,0,0,0,0|3,0,1]=4 64 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,0,0,0,0,0|3,0,0]=3 65 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [0,0,0,0,0,0|2,0,1]=3 66 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [0,0,0,0,0,0|2,0,1]=3 67 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [0,0,0,0,0,0|2,0,1]=3 68 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [0,0,0,0,0,0|2,0,1]=3 69 B7R1.4 ClC1CCOC1Cl MCULE-1186010832 [0,0,0,0,0,0|3,0,1]=4 70 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,0,0,0,0,0|1,0,1]=2 71 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [0,0,0,0,0,0|3,0,1]=4 72 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [0,0,0,0,0,0|3,0,1]=4 73 B7R1.4 NC1=NN=CN1N MCULE-4081315170 [0,0,0,0,0,0|3,0,1]=4 74 B7R1.4 NC1=NN=CN1N MCULE-8486970234 [0,0,0,0,0,0|3,0,1]=4 75 B7R1.4 NC1=NN=NN1N MCULE-1255388740 [0,0,0,0,0,0|4,0,0]=4 76 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,0,0,0,0,0|2,0,0]=2 77 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,0,0,0,0,0|2,0,0]=2 78 B7R1.4 NC1CCCC1F MCULE-2221939717 [0,0,0,0,0,0|3,0,1]=4 79 B7R1.4 NC1CCCC1F MCULE-7473190715 [0,0,0,0,0,0|3,0,1]=4 80 B7R1.4 NC1CCCC1N MCULE-5161769230 [0,0,0,0,0,0|3,0,1]=4 81 B7R1.4 NC1CCCC1N MCULE-7834445190 [0,0,0,0,0,0|3,0,1]=4 82 B7R1.4 NC1CCCC1O MCULE-1657591641 [0,0,0,0,0,0|2,0,2]=4 83 B7R1.4 NC1CCCC1O MCULE-6248992494 [0,0,0,0,0,0|2,0,2]=4 84 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,0,0,0,0,0|2,0,0]=2 85 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,0,0,0,0,0|2,0,0]=2 86 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,0,0,0,0,0|1,0,0]=1 87 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,0,0,0,0,0|1,0,0]=1 88 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,0,0,0,0,0|1,0,0]=1 89 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,0,0,0,0,0|1,0,0]=1 90 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,0,0,0,0,0|1,0,0]=1 91 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,0,0,0,0,0|1,0,0]=1 92 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,0,0,0,0,0|1,1,0]=2 93 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,0,0,0,0,0|1,1,0]=2 94 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,0,0,0,0,0|3,0,0]=3 95 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,0,0,0,0,0|3,0,0]=3 96 B7R1.4 NN1C=NN=C1S MCULE-7009873730 [0,0,0,0,0,0|2,1,1]=4 97 B7R1.4 NN1C=NNC1=O MCULE-1613661520 [0,0,0,0,0,0|2,0,1]=3 98 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,0,0,0,0,0|1,0,0]=1 99 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,0,0,0,0,0|1,0,0]=1 100 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,0,0,0,0,0|1,0,0]=1 101 B7R1.4 NN1CCNC1=S MCULE-6710971353 [0,0,0,0,0,0|1,1,0]=2 102 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,0,0,0,0,0|0,0,0]=0 103 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,0,0,0,0,0|0,0,0]=0 104 B7R1.4 N[C@@H]1CCC[C@@H]1F MCULE-5918995947 [0,0,0,0,0,0|3,0,1]=4 105 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [0,0,0,0,0,0|2,0,2]=4 106 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [0,0,0,0,0,0|2,0,2]=4 107 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [0,0,0,0,0,0|2,0,2]=4 108 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [0,0,0,0,0,0|2,0,2]=4 109 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [0,0,0,0,0,0|2,0,2]=4 110 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-1389039924 [0,0,0,0,0,0|3,0,1]=4 111 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-2197861570 [0,0,0,0,0,0|3,0,1]=4 112 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-3318849776 [0,0,0,0,0,0|3,0,1]=4 113 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-5395257521 [0,0,0,0,0,0|3,0,1]=4 114 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-8318262942 [0,0,0,0,0,0|3,0,1]=4 115 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-9877401480 [0,0,0,0,0,0|3,0,1]=4 116 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-1630250066 [0,0,0,0,0,0|3,0,1]=4 117 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5738867214 [0,0,0,0,0,0|3,0,1]=4 118 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5794367720 [0,0,0,0,0,0|3,0,1]=4 119 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-6079002018 [0,0,0,0,0,0|3,0,1]=4 120 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7332231839 [0,0,0,0,0,0|3,0,1]=4 121 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7604406385 [0,0,0,0,0,0|3,0,1]=4 122 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [0,0,0,0,0,0|2,0,2]=4 123 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [0,0,0,0,0,0|2,0,2]=4 124 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [0,0,0,0,0,0|2,0,2]=4 125 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [0,0,0,0,0,0|2,0,2]=4 126 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [0,0,0,0,0,0|2,0,2]=4 127 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [0,0,0,0,0,0|2,0,2]=4 128 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,0,0,0,0,0|2,0,0]=2 129 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,0,0,0,0,0|2,0,0]=2 130 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,0,0,0,0,0|2,0,0]=2 131 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,0,0,0,0,0|2,0,0]=2 132 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,0,0,0,0,0|1,0,0]=1 133 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,0,0,0,0,0|1,0,0]=1 134 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,0,0,0,0,0|1,0,0]=1 135 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,0,0,0,0,0|1,0,0]=1 136 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,0,0,0,0,0|1,1,0]=2 137 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,0,0,0,0,0|1,1,0]=2 138 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,0,0,0,0,0|1,1,0]=2 139 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,0,0,0,0,0|1,1,0]=2 140 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,0,0,0,0,0|3,0,0]=3 141 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,0,0,0,0,0|3,0,0]=3 142 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [0,0,0,0,0,0|2,0,2]=4 143 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [0,0,0,0,0,0|2,0,2]=4 144 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [0,0,0,0,0,0|2,0,2]=4 145 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [0,0,0,0,0,0|2,0,2]=4 146 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-1361897949 [0,0,0,0,0,0|3,0,1]=4 147 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-4545374374 [0,0,0,0,0,0|3,0,1]=4 148 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [0,0,0,0,0,0|2,0,2]=4 149 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [0,0,0,0,0,0|2,0,2]=4 150 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [0,0,0,0,0,0|2,0,2]=4 151 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [0,0,0,0,0,0|2,0,2]=4 152 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [0,0,0,0,0,0|2,0,2]=4 153 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,0,0,0,0,0|2,0,0]=2 154 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,0,0,0,0,0|2,0,0]=2 155 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,0,0,0,0,0|2,0,0]=2 156 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,0,0,0,0,0|2,0,0]=2 157 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,0,0,0,0,0|1,0,0]=1 158 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,0,0,0,0,0|1,0,0]=1 159 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,0,0,0,0,0|1,0,0]=1 160 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,0,0,0,0,0|1,0,0]=1 161 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,0,0,0,0,0|1,0,0]=1 162 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,0,0,0,0,0|1,1,0]=2 163 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,0,0,0,0,0|1,1,0]=2 164 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,0,0,0,0,0|1,1,0]=2 165 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,0,0,0,0,0|1,1,0]=2 166 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,0,0,0,0,0|3,0,0]=3 167 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,0,0,0,0,0|3,0,0]=3 168 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,0,0,0,0,0|3,0,1]=4 169 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,0,0,0,0,0|3,0,1]=4 170 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,0,0,0,0,0|3,0,1]=4 171 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,0,0,0,0,0|3,0,0]=3 172 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,0,0,0,0,0|3,0,0]=3 173 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,0,0,0,0,0|3,0,0]=3 174 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,0,0,0,0,0|3,0,0]=3 175 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,0,0,0,0,0|3,0,0]=3 176 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,0,0,0,0,0|3,0,0]=3 177 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,0,0,0,0,0|3,0,0]=3 178 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,0,0,0,0,0|3,0,0]=3 179 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,0,0,0,0,0|3,0,0]=3 180 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,0,0,0,0,0|3,0,0]=3 181 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,0,0,0,0,0|3,0,0]=3 182 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,0,0,0,0,0|3,0,0]=3 183 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,0,0,0,0,0|3,0,0]=3 184 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,0,0,0,0,0|3,0,0]=3 185 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,0,0,0,0,0|3,0,0]=3 186 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,0,0,0,0,0|2,0,1]=3 187 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,0,0,0,0,0|2,0,0]=2 188 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,0,0,0,0,0|2,0,0]=2 189 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,0,0,0,0,0|2,0,0]=2 190 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,0,0,0,0,0|2,0,0]=2 191 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,0,0,0,0,0|2,0,0]=2 192 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,0,0,0,0,0|2,0,0]=2 193 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,0,0,0,0,0|2,0,0]=2 194 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,0,0,0,0,0|4,0,0]=4 195 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-2430440513 [0,0,0,0,0,0|3,0,1]=4 196 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-8503171996 [0,0,0,0,0,0|3,0,1]=4 197 B7R1.4 [C@@H]1(CCC[C@H]1N)F MCULE-5545998720 [0,0,0,0,0,0|3,0,1]=4 198 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,0,0,0,0,0|1,0,1]=2 199 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [1,0,0,0,0,0|3,0,0]=4 200 B6R1.2 BrC1=COCC1 MCULE-8057569313 [1,0,0,0,0,0|2,0,0]=3 201 B6R1.2 BrC1CCOC1 MCULE-7037144528 [1,0,0,0,0,0|2,0,1]=4 202 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [1,0,0,0,0,0|2,0,1]=4 203 B6R1.2 C1(CCOC1)I MCULE-4877322062 [1,0,0,0,0,0|2,0,1]=4 204 B6R1.2 C1(CCOC1)N MCULE-2221007915 [1,0,0,0,0,0|1,0,1]=3 205 B6R1.2 C1(CCOC1)N MCULE-3972931474 [1,0,0,0,0,0|1,0,1]=3 206 B6R1.2 C1(CCOC1)O MCULE-3631749536 [1,0,0,0,0,0|2,0,1]=4 207 B6R1.2 C=C1CCCC1 MCULE-4115373196 [1,0,0,0,0,0|3,0,0]=4 208 B6R1.2 CC1=CCCC1 MCULE-8508688474 [1,0,0,0,0,0|3,0,0]=4 209 B6R1.2 CC1=CCCO1 MCULE-7276659214 [1,0,0,0,0,0|2,0,0]=3 210 B6R1.2 CC1=NCCC1 MCULE-5009170423 [1,0,0,0,0,0|2,0,1]=4 211 B6R1.2 CC1=NCCN1 MCULE-4787238872 [1,0,0,0,0,0|2,0,0]=3 212 B6R1.2 CC1=NCCO1 MCULE-8564633040 [1,0,0,0,0,0|1,0,1]=3 213 B6R1.2 CC1=NCCS1 MCULE-1701303405 [1,0,0,0,0,0|1,1,1]=4 214 B6R1.2 CC1C=CCC1 MCULE-1638534048 [1,0,0,0,0,0|3,0,0]=4 215 B6R1.2 CC1CCCN1 MCULE-4853624560 [1,0,0,0,0,0|2,0,1]=4 216 B6R1.2 CC1CCCN1 MCULE-5939948024 [1,0,0,0,0,0|2,0,1]=4 217 B6R1.2 CC1CCCN1 MCULE-6020011445 [1,0,0,0,0,0|2,0,1]=4 218 B6R1.2 CC1CCCN1 MCULE-7855346849 [1,0,0,0,0,0|2,0,1]=4 219 B6R1.2 CC1CCCO1 MCULE-2526138687 [1,0,0,0,0,0|2,0,1]=4 220 B6R1.2 CC1CCOC1 MCULE-6424683416 [1,0,0,0,0,0|2,0,1]=4 221 B6R1.2 CC1NCCS1 MCULE-8457840375 [1,0,0,0,0,0|1,1,1]=4 222 B6R1.2 CC1OCCO1 MCULE-2943809591 [1,0,0,0,0,0|2,0,1]=4 223 B6R1.2 CN1CCCC1 MCULE-5387702231 [1,0,0,0,0,0|2,0,1]=4 224 B6R1.2 CN1CCNC1 MCULE-8059197564 [1,0,0,0,0,0|2,0,1]=4 225 B6R1.2 CN1CCNC1 MCULE-9818601515 [1,0,0,0,0,0|2,0,1]=4 226 B6R1.2 CN1CCOC1 MCULE-5504672404 [1,0,0,0,0,0|1,0,1]=3 227 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [1,0,0,0,0,0|2,0,1]=4 228 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [1,0,0,0,0,0|2,0,1]=4 229 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [1,0,0,0,0,0|2,0,1]=4 230 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [1,0,0,0,0,0|2,0,1]=4 231 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [1,0,0,0,0,0|2,0,1]=4 232 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [1,0,0,0,0,0|2,0,1]=4 233 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [1,0,0,0,0,0|2,0,1]=4 234 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [1,0,0,0,0,0|2,0,1]=4 235 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [1,0,0,0,0,0|3,0,0]=4 236 B6R1.2 ClC1=NCCN1 MCULE-2043711677 [1,0,0,0,0,0|2,0,0]=3 237 B6R1.2 ClC1=NCCN1 MCULE-2296476673 [1,0,0,0,0,0|2,0,0]=3 238 B6R1.2 ClC1CCOC1 MCULE-6903762147 [1,0,0,0,0,0|2,0,1]=4 239 B6R1.2 ClP1OCCO1 MCULE-2550894251 [1,0,0,0,0,0|3,0,0]=4 240 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [1,0,0,0,0,0|2,0,1]=4 241 B6R1.2 IC1=CCCC1 MCULE-5953451970 [1,0,0,0,0,0|3,0,0]=4 242 B6R1.2 IC1=COCC1 MCULE-3076361502 [1,0,0,0,0,0|2,0,0]=3 243 B6R1.2 IC1CCOC1 MCULE-1379775972 [1,0,0,0,0,0|2,0,1]=4 244 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [1,0,0,0,0,0|2,0,1]=4 245 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [1,0,0,0,0,0|2,0,1]=4 246 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [1,0,0,0,0,0|2,0,1]=4 247 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [1,0,0,0,0,0|2,0,1]=4 248 B6R1.2 N=C1CCCS1 MCULE-4228855265 [1,0,0,0,0,0|2,1,0]=4 249 B6R1.2 N=C1CCCS1 MCULE-7496124035 [1,0,0,0,0,0|2,1,0]=4 250 B6R1.2 N=C1NCCN1 MCULE-4983030911 [1,0,0,0,0,0|2,0,0]=3 251 B6R1.2 NC1=CCNN1 MCULE-1539779543 [1,0,0,0,0,0|3,0,0]=4 252 B6R1.2 NC1=CCNN1 MCULE-3460056890 [1,0,0,0,0,0|3,0,0]=4 253 B6R1.2 NC1=CCNN1 MCULE-5423983278 [1,0,0,0,0,0|3,0,0]=4 254 B6R1.2 NC1=COC=C1 MCULE-1858324031 [1,0,0,0,0,0|1,0,2]=4 255 B6R1.2 NC1=COC=C1 MCULE-3985426542 [1,0,0,0,0,0|1,0,2]=4 256 B6R1.2 NC1=COC=N1 MCULE-2511021171 [1,0,0,0,0,0|2,0,1]=4 257 B6R1.2 NC1=COC=N1 MCULE-3099880728 [1,0,0,0,0,0|2,0,1]=4 258 B6R1.2 NC1=CON=C1 MCULE-2373604754 [1,0,0,0,0,0|2,0,1]=4 259 B6R1.2 NC1=CON=C1 MCULE-7932471087 [1,0,0,0,0,0|2,0,1]=4 260 B6R1.2 NC1=NCCC1 MCULE-6089369366 [1,0,0,0,0,0|2,0,1]=4 261 B6R1.2 NC1=NCCC1 MCULE-8979618464 [1,0,0,0,0,0|2,0,1]=4 262 B6R1.2 NC1=NCCN1 MCULE-1788173657 [1,0,0,0,0,0|2,0,0]=3 263 B6R1.2 NC1=NCCN1 MCULE-9804694628 [1,0,0,0,0,0|2,0,0]=3 264 B6R1.2 NC1=NCCO1 MCULE-1257431295 [1,0,0,0,0,0|1,0,1]=3 265 B6R1.2 NC1=NCCO1 MCULE-9912511107 [1,0,0,0,0,0|1,0,1]=3 266 B6R1.2 NC1=NCCS1 MCULE-3397143190 [1,0,0,0,0,0|1,1,1]=4 267 B6R1.2 NC1=NCCS1 MCULE-9466856269 [1,0,0,0,0,0|1,1,1]=4 268 B6R1.2 NC1=NCCS1 MCULE-9984008966 [1,0,0,0,0,0|1,1,1]=4 269 B6R1.2 NC1=NNCC1 MCULE-4665265929 [1,0,0,0,0,0|3,0,0]=4 270 B6R1.2 NC1=NOCC1 MCULE-4971355735 [1,0,0,0,0,0|2,0,0]=3 271 B6R1.2 NC1C=CCC1 MCULE-2537724380 [1,0,0,0,0,0|2,0,0]=3 272 B6R1.2 NC1C=CCC1 MCULE-5017993489 [1,0,0,0,0,0|2,0,0]=3 273 B6R1.2 NC1CCCC1 MCULE-2292038009 [1,0,0,0,0,0|2,0,1]=4 274 B6R1.2 NC1CCNC1 MCULE-2237528072 [1,0,0,0,0,0|2,0,1]=4 275 B6R1.2 NC1CCNC1 MCULE-5167920547 [1,0,0,0,0,0|2,0,1]=4 276 B6R1.2 NC1CCNC1 MCULE-5837785719 [1,0,0,0,0,0|2,0,1]=4 277 B6R1.2 NC1CCOC1 MCULE-1276945018 [1,0,0,0,0,0|1,0,1]=3 278 B6R1.2 NC1CCOC1 MCULE-8146259495 [1,0,0,0,0,0|1,0,1]=3 279 B6R1.2 NC1CCSC1 MCULE-8972229387 [1,0,0,0,0,0|1,1,1]=4 280 B6R1.2 NC1CCSC1 MCULE-9186640582 [1,0,0,0,0,0|1,1,1]=4 281 B6R1.2 NN1C=CC=C1 MCULE-9328309132 [1,0,0,0,0,0|1,0,2]=4 282 B6R1.2 NN1C=CC=N1 MCULE-1897324593 [1,0,0,0,0,0|2,0,1]=4 283 B6R1.2 NN1C=CN=C1 MCULE-6804632943 [1,0,0,0,0,0|1,0,2]=4 284 B6R1.2 NN1C=CN=C1 MCULE-9704502703 [1,0,0,0,0,0|1,0,2]=4 285 B6R1.2 NN1C=CN=N1 MCULE-2003837529 [1,0,0,0,0,0|3,0,0]=4 286 B6R1.2 NN1C=CN=N1 MCULE-2708002414 [1,0,0,0,0,0|3,0,0]=4 287 B6R1.2 NN1C=NC=N1 MCULE-2428153714 [1,0,0,0,0,0|2,0,1]=4 288 B6R1.2 NN1C=NN=C1 MCULE-4400137781 [1,0,0,0,0,0|2,0,1]=4 289 B6R1.2 NN1C=NN=C1 MCULE-5774472936 [1,0,0,0,0,0|2,0,1]=4 290 B6R1.2 NN1CCCC1 MCULE-1562593919 [1,0,0,0,0,0|1,0,1]=3 291 B6R1.2 NN1CCCC1 MCULE-2311855036 [1,0,0,0,0,0|1,0,1]=3 292 B6R1.2 NN1CCCC1 MCULE-5484008222 [1,0,0,0,0,0|1,0,1]=3 293 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [1,0,0,0,0,0|2,0,1]=4 294 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [1,0,0,0,0,0|2,0,1]=4 295 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [1,0,0,0,0,0|2,0,1]=4 296 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [1,0,0,0,0,0|2,0,1]=4 297 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [1,0,0,0,0,0|1,0,1]=3 298 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [1,0,0,0,0,0|1,0,1]=3 299 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [1,0,0,0,0,0|1,0,1]=3 300 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [1,0,0,0,0,0|1,0,1]=3 301 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [1,0,0,0,0,0|2,0,1]=4 302 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [1,0,0,0,0,0|2,0,1]=4 303 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [1,0,0,0,0,0|2,0,1]=4 304 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [1,0,0,0,0,0|2,0,1]=4 305 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [1,0,0,0,0,0|1,0,1]=3 306 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [1,0,0,0,0,0|1,0,1]=3 307 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [1,0,0,0,0,0|1,0,1]=3 308 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [1,0,0,0,0,0|1,0,1]=3 309 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,0,0,0|2,0,1]=4 310 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,0,0,0|1,0,1]=3 311 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,0,0,0|1,0,1]=3 312 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [1,0,0,0,0,0|1,1,1]=4 313 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [1,0,0,0,0,0|2,0,1]=4 314 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [1,0,0,0,0,0|2,0,1]=4 315 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,0,0,0|2,0,1]=4 316 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,0,0,0|2,0,0]=3 317 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,0,0,0|1,0,0]=2 318 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,0,0,0|1,0,0]=2 319 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,0,0,0|1,1,0]=3 320 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,0,0,0|3,0,0]=4 321 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,0,0,0|3,0,0]=4 322 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,0,0,0|2,0,0]=3 323 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,0,0,0|2,0,1]=4 324 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,0,0,0|2,0,0]=3 325 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,0,0,0|3,0,0]=4 326 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,0,0,0|2,0,0]=3 327 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,0,0,0|2,0,0]=3 328 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,0,0,0|2,0,0]=3 329 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,0,0,0|2,0,0]=3 330 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [1,0,0,0,0,0|1,0,2]=4 331 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,0,0,0|0,0,2]=3 332 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [1,0,0,0,0,0|0,1,2]=4 333 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [1,0,0,0,0,0|2,0,1]=4 334 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,0,0,0|1,0,0]=2 335 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,0,0,0|0,0,0]=1 336 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,0,0,0|0,1,0]=2 337 B6R1.2 O=C1NN=NN1 MCULE-2843823671 [1,0,0,0,0,0|3,0,0]=4 338 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [1,0,0,0,0,0|1,0,2]=4 339 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,0,0,0|1,0,0]=2 340 B6R1.2 O=S1CCCC1 MCULE-2442126780 [1,0,0,0,0,0|3,0,0]=4 341 B6R1.2 O=S1OCCO1 MCULE-5773173321 [1,0,0,0,0,0|2,0,0]=3 342 B6R1.2 OC1C=CCC1 MCULE-3857764876 [1,0,0,0,0,0|3,0,0]=4 343 B6R1.2 OC1CCCN1 MCULE-4787168972 [1,0,0,0,0,0|1,0,2]=4 344 B6R1.2 OC1CCCO1 MCULE-9632627344 [1,0,0,0,0,0|1,0,2]=4 345 B6R1.2 OC1CCOC1 MCULE-4469581028 [1,0,0,0,0,0|2,0,1]=4 346 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [1,0,0,0,0,0|2,0,1]=4 347 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [1,0,0,0,0,0|2,0,1]=4 348 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [1,0,0,0,0,0|2,0,1]=4 349 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [1,0,0,0,0,0|2,0,1]=4 350 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [1,0,0,0,0,0|2,0,1]=4 351 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [1,0,0,0,0,0|2,0,0]=3 352 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,0,0,0|1,1,0]=3 353 B6R1.2 S=C1NC=CO1 MCULE-6706918798 [1,0,0,0,0,0|0,1,2]=4 354 B6R1.2 S=C1NCCN1 MCULE-3300710815 [1,0,0,0,0,0|1,1,0]=3 355 B6R1.2 S=C1SCCS1 MCULE-3003900032 [1,0,0,0,0,0|1,2,0]=4 356 B6R1.2 SC1=NCCO1 MCULE-6684545723 [1,0,0,0,0,0|0,1,1]=3 357 B6R1.2 SC1=NCCS1 MCULE-6840772268 [1,0,0,0,0,0|0,2,1]=4 358 B6R1.2 SC1CCOC1 MCULE-9247906418 [1,0,0,0,0,0|2,0,1]=4 359 B8R1.11 C=CN1CCCC1=O MCULE-3025814103 [0,1,0,0,0,0|2,0,0]=3 360 B8R1.11 CC1OCCC1CN MCULE-8319428027 [0,1,0,0,0,0|2,0,1]=4 361 B8R1.11 CC1OCCC1CN MCULE-9389911755 [0,1,0,0,0,0|2,0,1]=4 362 B8R1.11 CCC1CCCC1=O MCULE-1884299455 [0,1,0,0,0,0|3,0,0]=4 363 B8R1.11 CCC1CCNC1=O MCULE-8307536027 [0,1,0,0,0,0|3,0,0]=4 364 B8R1.11 CCC1CCOC1=O MCULE-2375464273 [0,1,0,0,0,0|2,0,0]=3 365 B8R1.11 CCN1CCCC1=O MCULE-7206309773 [0,1,0,0,0,0|2,0,0]=3 366 B8R1.11 CCN1CCCC1=O MCULE-7415495937 [0,1,0,0,0,0|2,0,0]=3 367 B8R1.11 CCN1CCNC1=O MCULE-8168665695 [0,1,0,0,0,0|2,0,0]=3 368 B8R1.11 CCN1CCNC1=S MCULE-5878192181 [0,1,0,0,0,0|2,1,0]=4 369 B8R1.11 CCN1CNCC1=O MCULE-2327338525 [0,1,0,0,0,0|3,0,0]=4 370 B8R1.11 CC[C@@H]1OCC[C@H]1N MCULE-6631183888 [0,1,0,0,0,0|2,0,1]=4 371 B8R1.11 CN1CCC[C@H]1C=O MCULE-5852490757 [0,1,0,0,0,0|2,0,1]=4 372 B8R1.11 CNC1CCNC1=O MCULE-1302732570 [0,1,0,0,0,0|2,0,0]=3 373 B8R1.11 CNC1CCNC1=O MCULE-7065523709 [0,1,0,0,0,0|2,0,0]=3 374 B8R1.11 COC1CCCC1=O MCULE-2741778082 [0,1,0,0,0,0|3,0,0]=4 375 B8R1.11 COC1CCOC1=O MCULE-6321591157 [0,1,0,0,0,0|2,0,0]=3 376 B8R1.11 CSC1=NCCN1C MCULE-4965821503 [0,1,0,0,0,0|2,1,0]=4 377 B8R1.11 CSC1=NCCN1C MCULE-9068098593 [0,1,0,0,0,0|2,1,0]=4 378 B8R1.11 C[C@@H]1OCC[C@H]1CN MCULE-1134549336 [0,1,0,0,0,0|2,0,1]=4 379 B8R1.11 C[C@@H]1OCC[C@H]1CN MCULE-7039232701 [0,1,0,0,0,0|2,0,1]=4 380 B8R1.11 C[C@H]1OCC[C@H]1CN MCULE-1227545702 [0,1,0,0,0,0|2,0,1]=4 381 B8R1.11 C[C@H]1OCC[C@H]1CN MCULE-9284060815 [0,1,0,0,0,0|2,0,1]=4 382 B8R1.11 N#CC1=C(CCC1)N MCULE-8457887126 [0,1,0,0,0,0|3,0,0]=4 383 B8R1.11 N#CC1=C(OCC1)N MCULE-5262860193 [0,1,0,0,0,0|2,0,1]=4 384 B8R1.11 N#CC1CCCC1=O MCULE-6254621629 [0,1,0,0,0,0|2,0,1]=4 385 B8R1.11 N#CC1CCOC1=O MCULE-4716981850 [0,1,0,0,0,0|1,0,1]=3 386 B8R1.11 NC1=C(OC=C1)C=O MCULE-6101864021 [0,1,0,0,0,0|1,0,2]=4 387 B8R1.11 NCC1CCCC1=O MCULE-4144323636 [0,1,0,0,0,0|2,0,0]=3 388 B8R1.11 NCC1CCCC1=O MCULE-8761719757 [0,1,0,0,0,0|2,0,0]=3 389 B8R1.11 NCC1CCOC1=O MCULE-5843107965 [0,1,0,0,0,0|1,0,0]=2 390 B8R1.11 NCC1CCOC1=O MCULE-6077637171 [0,1,0,0,0,0|1,0,0]=2 391 B8R1.11 NN1CCCC1CO MCULE-1842894120 [0,1,0,0,0,0|1,0,2]=4 392 B8R1.11 NN1CCC[C@H]1CO MCULE-2058705707 [0,1,0,0,0,0|1,0,2]=4 393 B8R1.11 NOC1CCOC1=O MCULE-1912651031 [0,1,0,0,0,0|1,0,0]=2 394 B8R1.11 O=C1CCCC1CO MCULE-9171970685 [0,1,0,0,0,0|3,0,0]=4 395 B8R1.11 O=C1CCCN1CBr MCULE-1337183945 [0,1,0,0,0,0|2,0,0]=3 396 B8R1.11 O=C1CCCN1CCl MCULE-6204630639 [0,1,0,0,0,0|2,0,0]=3 397 B8R1.11 O=C1CCCN1CO MCULE-6508920438 [0,1,0,0,0,0|2,0,0]=3 398 B8R1.11 O=C1CNCN1CO MCULE-1880077159 [0,1,0,0,0,0|3,0,0]=4 399 B8R1.11 O=C1CNCN1CO MCULE-4265247225 [0,1,0,0,0,0|3,0,0]=4 400 B8R1.11 O=C1NCCC1CO MCULE-8442279545 [0,1,0,0,0,0|3,0,0]=4 401 B8R1.11 O=C1NCC[C@@H]1CO MCULE-5339343040 [0,1,0,0,0,0|3,0,0]=4 402 B8R1.11 O=C1OCCC1=NO MCULE-1241579763 [0,1,0,0,0,0|1,0,1]=3 403 B8R1.11 O=CC1=C(CCC1)Cl MCULE-2468041387 [0,1,0,0,0,0|3,0,0]=4 404 B8R1.11 O=CC1CCOC1=O MCULE-6358043470 [0,1,0,0,0,0|2,0,0]=3 405 B8R1.11 O=CN1CCCC1=O MCULE-1097328464 [0,1,0,0,0,0|2,0,0]=3 406 B8R1.11 [C@H]1(CCO[C@@H]1C)CN MCULE-6798476466 [0,1,0,0,0,0|2,0,1]=4 407 B8R1.11 [C@H]1(CCO[C@@H]1C)CN MCULE-9186622307 [0,1,0,0,0,0|2,0,1]=4 408 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,1,0,0,0,0|2,0,1]=4 409 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [0,1,0,0,0,0|2,0,0]=3 410 B8R1.18 CC1=CC(OC1=O)Br MCULE-3845731354 [0,1,0,0,0,0|2,0,1]=4 411 B8R1.18 CC1=CC(OC1=O)Cl MCULE-5657964064 [0,1,0,0,0,0|2,0,1]=4 412 B8R1.18 CC1=CC(OC1=O)O MCULE-9085952542 [0,1,0,0,0,0|2,0,1]=4 413 B8R1.18 CC1CC(=O)N(C1)C MCULE-2164356802 [0,1,0,0,0,0|2,0,0]=3 414 B8R1.18 CC1CC(=O)N(N1)C MCULE-3951114099 [0,1,0,0,0,0|3,0,0]=4 415 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,0,0,0|2,0,1]=4 416 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [0,1,0,0,0,0|2,0,0]=3 417 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [0,1,0,0,0,0|1,0,0]=2 418 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [0,1,0,0,0,0|1,0,0]=2 419 B8R1.18 CC1CC(C(O1)C)N MCULE-3274169856 [0,1,0,0,0,0|2,0,1]=4 420 B8R1.18 CC1CC(C(O1)C)N MCULE-9455862703 [0,1,0,0,0,0|2,0,1]=4 421 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,1,0,0,0,0|2,0,1]=4 422 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,1,0,0,0,0|2,0,1]=4 423 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,0,0,0|1,0,1]=3 424 B8R1.18 CN1CC(CC1=O)I MCULE-4945824576 [0,1,0,0,0,0|2,0,0]=3 425 B8R1.18 CN1CC(CC1=O)N MCULE-2463085778 [0,1,0,0,0,0|2,0,0]=3 426 B8R1.18 CN1CC(CC1=O)N MCULE-2958084133 [0,1,0,0,0,0|2,0,0]=3 427 B8R1.18 CN1CC(CC1=O)O MCULE-3900359646 [0,1,0,0,0,0|2,0,0]=3 428 B8R1.18 CN1C[C@@H](CC1=O)N MCULE-5898871508 [0,1,0,0,0,0|2,0,0]=3 429 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-6983684031 [0,1,0,0,0,0|2,0,0]=3 430 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-9036883490 [0,1,0,0,0,0|2,0,0]=3 431 B8R1.18 CN1C[C@H](CC1=O)N MCULE-6260844558 [0,1,0,0,0,0|2,0,0]=3 432 B8R1.18 CN1C[C@H](CC1=O)N MCULE-9464195407 [0,1,0,0,0,0|2,0,0]=3 433 B8R1.18 CN1C[C@H](CC1=O)O MCULE-1129246553 [0,1,0,0,0,0|2,0,0]=3 434 B8R1.18 CN1C[C@H](CC1=O)O MCULE-3762455862 [0,1,0,0,0,0|2,0,0]=3 435 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,0,0,0|2,0,1]=4 436 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,1,0,0,0,0|2,0,1]=4 437 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,1,0,0,0,0|2,0,1]=4 438 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,0,0,0|1,0,1]=3 439 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,0,0,0|1,0,1]=3 440 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,1,0,0,0,0|1,0,1]=3 441 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,1,0,0,0,0|1,0,1]=3 442 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,1,0,0,0,0|2,0,1]=4 443 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,1,0,0,0,0|2,0,1]=4 444 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,0,0,0|1,0,1]=3 445 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,0,0,0|1,0,1]=3 446 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,0,0,0|1,0,1]=3 447 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,0,0,0|1,0,1]=3 448 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,1,0,0,0,0|2,0,1]=4 449 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,1,0,0,0,0|2,0,1]=4 450 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,0,0,0|1,0,1]=3 451 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,0,0,0|1,0,1]=3 452 B8R1.19 CC1(CCCC1=O)C MCULE-2010694408 [0,1,0,0,0,0|3,0,0]=4 453 B8R1.19 CC1(CCCC1=O)F MCULE-5382994089 [0,1,0,0,0,0|3,0,0]=4 454 B8R1.19 CC1(CCNC1=O)C MCULE-6714447777 [0,1,0,0,0,0|3,0,0]=4 455 B8R1.19 CC1(CCNC1=O)C MCULE-7206545498 [0,1,0,0,0,0|3,0,0]=4 456 B8R1.19 CC1(CCNC1=O)N MCULE-2999548291 [0,1,0,0,0,0|2,0,0]=3 457 B8R1.19 CC1(CCNC1=O)O MCULE-2802989638 [0,1,0,0,0,0|3,0,0]=4 458 B8R1.19 CC1(CCOC1=O)Br MCULE-3061445898 [0,1,0,0,0,0|2,0,0]=3 459 B8R1.19 CC1(CCOC1=O)C MCULE-4294599964 [0,1,0,0,0,0|2,0,0]=3 460 B8R1.19 CC1(CCOC1=O)N MCULE-5332143573 [0,1,0,0,0,0|1,0,0]=2 461 B8R1.19 CC1(CCOC1=O)N MCULE-6557455932 [0,1,0,0,0,0|1,0,0]=2 462 B8R1.19 CC1(OCCC1N)C MCULE-6592845715 [0,1,0,0,0,0|2,0,1]=4 463 B8R1.19 CC1(OCCC1N)C MCULE-6909756281 [0,1,0,0,0,0|2,0,1]=4 464 B8R1.19 CC1CCOS1(=O)=O MCULE-6608589153 [0,1,0,0,0,0|3,0,0]=4 465 B8R1.19 CC1OCCC1(C)N MCULE-3604874294 [0,1,0,0,0,0|2,0,1]=4 466 B8R1.19 CN1CCCS1(=O)=O MCULE-2950650087 [0,1,0,0,0,0|3,0,0]=4 467 B8R1.19 CN1CCNS1(=O)=O MCULE-4746336008 [0,1,0,0,0,0|3,0,0]=4 468 B8R1.19 CN1CCOS1(=O)=O MCULE-3125124642 [0,1,0,0,0,0|2,0,0]=3 469 B8R1.19 O=C1CCCC1(F)F MCULE-7191261042 [0,1,0,0,0,0|3,0,0]=4 470 B8R1.19 O=C1NCCC1(F)F MCULE-6135502988 [0,1,0,0,0,0|3,0,0]=4 471 B8R1.50 C=C1N(CCN1C)C MCULE-4257807805 [0,1,0,0,0,0|3,0,0]=4 472 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,1,0,0,0,0|2,0,1]=4 473 B8R1.50 CC1=C(COC1=O)Br MCULE-6953448957 [0,1,0,0,0,0|2,0,1]=4 474 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,1,0,0,0,0|2,0,1]=4 475 B8R1.50 CC1=C(N(CC1)C)Cl MCULE-2584612545 [0,1,0,0,0,0|3,0,0]=4 476 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,1,0,0,0,0|2,0,1]=4 477 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,1,0,0,0,0|3,0,0]=4 478 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,1,0,0,0,0|2,0,0]=3 479 B8R1.50 CC1CCC(C1=O)C MCULE-1473375660 [0,1,0,0,0,0|3,0,0]=4 480 B8R1.50 CC1CCN(C1=O)C MCULE-1499213360 [0,1,0,0,0,0|2,0,0]=3 481 B8R1.50 CC1CNC(=O)C1C MCULE-7439537346 [0,1,0,0,0,0|3,0,0]=4 482 B8R1.50 CC1NCN(C1=O)C MCULE-2390134887 [0,1,0,0,0,0|3,0,0]=4 483 B8R1.50 CC1NCN(C1=O)C MCULE-7463423136 [0,1,0,0,0,0|3,0,0]=4 484 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [0,1,0,0,0,0|2,0,1]=4 485 B8R1.50 CN1C(=O)CCC1O MCULE-1070053575 [0,1,0,0,0,0|2,0,0]=3 486 B8R1.50 CN1C(=O)CNC1=O MCULE-8997643894 [0,1,0,0,0,0|2,0,1]=4 487 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,1,0,0,0,0|1,0,1]=3 488 B8R1.50 CN1C(=O)CSC1=O MCULE-8837313577 [0,1,0,0,0,0|1,1,1]=4 489 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [0,1,0,0,0,0|2,0,0]=3 490 B8R1.50 CN1CCC(C1=O)Br MCULE-9857530514 [0,1,0,0,0,0|2,0,0]=3 491 B8R1.50 CN1CCC(C1=O)Cl MCULE-5732339719 [0,1,0,0,0,0|2,0,0]=3 492 B8R1.50 CN1CCC(C1=O)N MCULE-2896853309 [0,1,0,0,0,0|2,0,0]=3 493 B8R1.50 CN1CCC(C1=O)N MCULE-5951659989 [0,1,0,0,0,0|2,0,0]=3 494 B8R1.50 CN1CCC(C1=O)O MCULE-6867263123 [0,1,0,0,0,0|2,0,0]=3 495 B8R1.50 CN1CCN(C1=N)C MCULE-4613554750 [0,1,0,0,0,0|3,0,0]=4 496 B8R1.50 CN1CCN(C1=N)C MCULE-7908771693 [0,1,0,0,0,0|3,0,0]=4 497 B8R1.50 CN1CCN(C1=N)C MCULE-9738111026 [0,1,0,0,0,0|3,0,0]=4 498 B8R1.50 CN1CCN(C1=O)C MCULE-4012400107 [0,1,0,0,0,0|2,0,0]=3 499 B8R1.50 CN1CCN(C1=S)C MCULE-2289522173 [0,1,0,0,0,0|2,1,0]=4 500 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-3820062607 [0,1,0,0,0,0|2,0,0]=3 501 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-7270649984 [0,1,0,0,0,0|2,0,0]=3 502 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-8015311112 [0,1,0,0,0,0|2,0,0]=3 503 B8R1.50 CN1CC[C@H](C1=O)N MCULE-1278006515 [0,1,0,0,0,0|2,0,0]=3 504 B8R1.50 CN1CC[C@H](C1=O)N MCULE-3751335664 [0,1,0,0,0,0|2,0,0]=3 505 B8R1.50 CN1CC[C@H](C1=O)N MCULE-4883949932 [0,1,0,0,0,0|2,0,0]=3 506 B8R1.50 CN1CC[C@H](C1=O)N MCULE-7143065464 [0,1,0,0,0,0|2,0,0]=3 507 B8R1.50 CN1CC[N+](=C1Cl)C MCULE-1969931985 [0,1,0,0,0,0|3,0,0]=4 508 B8R1.50 CN1CC[N+](=C1Cl)C MCULE-2051839058 [0,1,0,0,0,0|3,0,0]=4 509 B8R1.50 CN1CC[N+](=C1Cl)C MCULE-2497049505 [0,1,0,0,0,0|3,0,0]=4 510 B8R1.50 CN1CC[N+](=C1Cl)C MCULE-5029027615 [0,1,0,0,0,0|3,0,0]=4 511 B8R1.50 CN1CC[N+](=C1F)C MCULE-4276021270 [0,1,0,0,0,0|3,0,0]=4 512 B8R1.50 CN1CC[N+](=C1F)C MCULE-8595075810 [0,1,0,0,0,0|3,0,0]=4 513 B8R1.50 CN1N=CN(C1=O)N MCULE-8289494181 [0,1,0,0,0,0|2,0,1]=4 514 B8R1.50 NC1CCN(C1=O)O MCULE-3774736319 [0,1,0,0,0,0|2,0,0]=3 515 B8R1.50 NN1C(=O)CCC1=O MCULE-4432056181 [0,1,0,0,0,0|1,0,1]=3 516 B8R1.50 NN1C(=O)CCC1=O MCULE-8224510852 [0,1,0,0,0,0|1,0,1]=3 517 B8R1.50 NN1C(=O)CNC1=O MCULE-3172416594 [0,1,0,0,0,0|1,0,1]=3 518 B8R1.50 NN1C(=O)CSC1=S MCULE-7853752310 [0,1,0,0,0,0|0,2,1]=4 519 B8R1.50 NN1C(=O)NNC1=O MCULE-6234762498 [0,1,0,0,0,0|2,0,1]=4 520 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O MCULE-6840872048 [0,1,0,0,0,0|2,0,0]=3 521 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-1260256164 [0,1,0,0,0,0|2,0,0]=3 522 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-9067133595 [0,1,0,0,0,0|2,0,0]=3 523 B8R1.50 N[C@H]1CCN(C1=O)O MCULE-1056806464 [0,1,0,0,0,0|2,0,0]=3 524 B8R1.50 O=C1CCC(=O)N1Br MCULE-6561724377 [0,1,0,0,0,0|2,0,1]=4 525 B8R1.50 O=C1CCC(=O)N1Cl MCULE-3093539402 [0,1,0,0,0,0|2,0,1]=4 526 B8R1.50 O=C1CCC(=O)N1I MCULE-8261967194 [0,1,0,0,0,0|2,0,1]=4 527 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [0,1,0,0,0,0|2,0,1]=4 528 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,1,0,0,0,0|2,0,1]=4 529 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,1,0,0,0,0|2,0,1]=4 530 B8R1.50 O=C1OCC(=C1Br)Br MCULE-4636963042 [0,1,0,0,0,0|2,0,1]=4 531 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,1,0,0,0,0|2,0,1]=4 532 B8R1.50 O=C1OCC(=C1Cl)Cl MCULE-1730099484 [0,1,0,0,0,0|2,0,1]=4 533 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,1,0,0,0,0|2,0,0]=3 534 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,1,0,0,0,0|2,0,0]=3 535 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,1,0,0,0,0|2,0,0]=3 536 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,1,0,0,0,0|2,0,0]=3 537 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,1,0,0,0,0|2,0,0]=3 538 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,1,0,0,0,0|2,0,0]=3 539 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,1,0,0,0,0|2,0,0]=3 540 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,1,0,0,0,0|2,0,0]=3 541 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [0,0,1,0,0,0|3,0,0]=4 542 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [0,0,1,0,0,0|3,0,0]=4 543 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [0,0,1,0,0,0|2,0,0]=3 544 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,0,1,0,0,0|3,0,0]=4 545 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,0,1,0,0,0|3,0,0]=4 546 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,0,1,0,0,0|2,0,0]=3 547 B6R0.1 C=CC(C)CCO MCULE-2890369298 [0,0,1,0,0,0|3,0,0]=4 548 B6R0.1 C=CC(N)CCO MCULE-7781906138 [0,0,1,0,0,0|2,0,0]=3 549 B6R0.1 CC#CC(=O)NN MCULE-2475728417 [0,0,1,0,0,0|1,0,1]=3 550 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [0,0,1,0,0,0|3,0,0]=4 551 B6R0.1 CCC(N)CCO MCULE-1511155206 [0,0,1,0,0,0|2,0,1]=4 552 B6R0.1 CCC(N)CCO MCULE-5525302643 [0,0,1,0,0,0|2,0,1]=4 553 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,0,1,0,0,0|3,0,0]=4 554 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,0,1,0,0,0|3,0,0]=4 555 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,0,1,0,0,0|3,0,0]=4 556 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,0,1,0,0,0|2,0,0]=3 557 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,0,1,0,0,0|2,0,0]=3 558 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,0,1,0,0,0|3,0,0]=4 559 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,0,1,0,0,0|2,0,0]=3 560 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,0,1,0,0,0|1,0,0]=2 561 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,0,1,0,0,0|2,0,0]=3 562 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,0,1,0,0,0|3,0,0]=4 563 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,0,1,0,0,0|3,0,0]=4 564 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,0,1,0,0,0|3,0,0]=4 565 B6R0.1 CCN(C)CCO MCULE-5519271145 [0,0,1,0,0,0|2,0,1]=4 566 B6R0.1 CCN(N)CCO MCULE-7988723724 [0,0,1,0,0,0|1,0,1]=3 567 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,0,1,0,0,0|3,0,0]=4 568 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,0,1,0,0,0|3,0,0]=4 569 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,0,1,0,0,0|3,0,0]=4 570 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,0,1,0,0,0|2,0,0]=3 571 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,0,1,0,0,0|2,0,0]=3 572 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,0,1,0,0,0|3,0,0]=4 573 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,0,1,0,0,0|2,0,0]=3 574 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,0,1,0,0,0|1,0,0]=2 575 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,0,1,0,0,0|2,0,0]=3 576 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,0,1,0,0,0|3,0,0]=4 577 B6R0.1 CCNC(=S)NN MCULE-9599210899 [0,0,1,0,0,0|1,1,0]=3 578 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,0,1,0,0,0|2,0,1]=4 579 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,0,1,0,0,0|2,0,1]=4 580 B6R0.1 CCOC(=N)CC MCULE-4645506860 [0,0,1,0,0,0|3,0,0]=4 581 B6R0.1 CCOC(=N)CC MCULE-9526837631 [0,0,1,0,0,0|3,0,0]=4 582 B6R0.1 CCOC(=N)CCl MCULE-6291047852 [0,0,1,0,0,0|3,0,0]=4 583 B6R0.1 CCOC(=N)CCl MCULE-9207251975 [0,0,1,0,0,0|3,0,0]=4 584 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,0,1,0,0,0|2,0,1]=4 585 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [0,0,1,0,0,0|1,0,1]=3 586 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,0,1,0,0,0|2,0,0]=3 587 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,0,1,0,0,0|2,0,0]=3 588 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,0,1,0,0,0|2,0,0]=3 589 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,0,1,0,0,0|2,0,0]=3 590 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,0,1,0,0,0|2,0,0]=3 591 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,0,1,0,0,0|2,0,0]=3 592 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,0,1,0,0,0|1,0,0]=2 593 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,0,1,0,0,0|1,0,0]=2 594 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,0,1,0,0,0|2,0,0]=3 595 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,0,1,0,0,0|2,0,0]=3 596 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,0,1,0,0,0|1,0,0]=2 597 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,0,1,0,0,0|0,0,0]=1 598 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,0,1,0,0,0|1,0,0]=2 599 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,0,1,0,0,0|2,0,0]=3 600 B6R0.1 CCOC(=S)SC MCULE-6959447720 [0,0,1,0,0,0|2,1,0]=4 601 B6R0.1 CCOC(C)CN MCULE-2322112215 [0,0,1,0,0,0|2,0,1]=4 602 B6R0.1 CCOC(C)CN MCULE-7307949125 [0,0,1,0,0,0|2,0,1]=4 603 B6R0.1 CCOS(=O)CC MCULE-4858180441 [0,0,1,0,0,0|3,0,0]=4 604 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,0,1,0,0,0|2,1,0]=4 605 B6R0.1 CN(C=O)CCO MCULE-3588371476 [0,0,1,0,0,0|1,0,0]=2 606 B6R0.1 CN(CCO)N=O MCULE-3975606321 [0,0,1,0,0,0|2,0,0]=3 607 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,0,1,0,0,0|3,0,0]=4 608 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,0,1,0,0,0|3,0,0]=4 609 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,0,1,0,0,0|3,0,0]=4 610 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,0,1,0,0,0|3,0,0]=4 611 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,0,1,0,0,0|3,0,0]=4 612 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,0,1,0,0,0|3,0,0]=4 613 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,0,1,0,0,0|3,0,0]=4 614 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,0,1,0,0,0|3,0,0]=4 615 B6R0.1 CNCC(=O)NN MCULE-8639164023 [0,0,1,0,0,0|2,0,0]=3 616 B6R0.1 COC(=O)OCCl MCULE-7856529986 [0,0,1,0,0,0|3,0,0]=4 617 B6R0.1 COC(=O)OCF MCULE-4705008675 [0,0,1,0,0,0|3,0,0]=4 618 B6R0.1 COC(=O)OCI MCULE-8692720175 [0,0,1,0,0,0|3,0,0]=4 619 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,0,1,0,0,0|2,0,0]=3 620 B6R0.1 CSCC(=O)NN MCULE-8151954663 [0,0,1,0,0,0|2,0,0]=3 621 B6R0.1 N#CCC(=O)NN MCULE-9203133961 [0,0,1,0,0,0|2,0,1]=4 622 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,0,1,0,0,0|2,0,1]=4 623 B6R0.1 NC(CO)CCO MCULE-3703088648 [0,0,1,0,0,0|1,0,2]=4 624 B6R0.1 NC(CO)CCO MCULE-7609576462 [0,0,1,0,0,0|1,0,2]=4 625 B6R0.1 NCC(N)CCO MCULE-2965554481 [0,0,1,0,0,0|2,0,1]=4 626 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,0,1,0,0,0|3,0,0]=4 627 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,0,1,0,0,0|3,0,0]=4 628 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,0,1,0,0,0|2,0,0]=3 629 B6R0.1 NNC(=O)CCS MCULE-9322963076 [0,0,1,0,0,0|2,0,0]=3 630 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [0,0,1,0,0,0|1,0,2]=4 631 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [0,0,1,0,0,0|1,0,2]=4 632 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [0,0,1,0,0,0|1,0,2]=4 633 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [0,0,1,0,0,0|1,0,2]=4 634 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [0,0,1,0,0,0|3,0,0]=4 635 B6R0.3 C#CC(=O)N(C)C MCULE-6032188951 [0,0,1,0,0,0|2,0,1]=4 636 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,0,1,0,0,0|3,0,0]=4 637 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,0,1,0,0,0|3,0,0]=4 638 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,0,1,0,0,0|3,0,0]=4 639 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,0,1,0,0,0|2,0,1]=4 640 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,0,1,0,0,0|2,0,1]=4 641 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,0,1,0,0,0|2,0,1]=4 642 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,0,1,0,0,0|2,0,1]=4 643 B6R0.3 C=C(Br)C(=O)OC MCULE-6192595524 [0,0,1,0,0,0|2,0,1]=4 644 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,0,1,0,0,0|3,0,0]=4 645 B6R0.3 C=C(C)C(=O)OC MCULE-9286083206 [0,0,1,0,0,0|2,0,0]=3 646 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,0,1,0,0,0|3,0,0]=4 647 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,0,1,0,0,0|2,0,0]=3 648 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,0,1,0,0,0|3,0,0]=4 649 B6R0.3 C=C(Cl)C(=O)OC MCULE-6494333767 [0,0,1,0,0,0|2,0,1]=4 650 B6R0.3 C=C(F)C(=O)OC MCULE-8485282148 [0,0,1,0,0,0|2,0,1]=4 651 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,0,1,0,0,0|3,0,0]=4 652 B6R0.3 C=CC(=O)N(C)C MCULE-3105693382 [0,0,1,0,0,0|2,0,1]=4 653 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,0,1,0,0,0|1,0,2]=4 654 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,0,1,0,0,0|1,0,2]=4 655 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,0,1,0,0,0|1,0,2]=4 656 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,0,1,0,0,0|1,0,2]=4 657 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,0,1,0,0,0|1,0,2]=4 658 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,0,1,0,0,0|1,0,2]=4 659 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,0,1,0,0,0|1,0,2]=4 660 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,0,1,0,0,0|1,0,2]=4 661 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,0,1,0,0,0|1,0,2]=4 662 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,0,1,0,0,0|1,0,2]=4 663 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,0,1,0,0,0|1,0,2]=4 664 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,0,1,0,0,0|3,0,0]=4 665 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,0,1,0,0,0|3,0,0]=4 666 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,0,1,0,0,0|3,0,0]=4 667 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,0,1,0,0,0|3,0,0]=4 668 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,0,1,0,0,0|3,0,0]=4 669 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,0,1,0,0,0|3,0,0]=4 670 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,0,1,0,0,0|3,0,0]=4 671 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,0,1,0,0,0|3,0,0]=4 672 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,0,1,0,0,0|2,0,1]=4 673 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,0,1,0,0,0|2,0,1]=4 674 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,0,1,0,0,0|2,0,1]=4 675 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,0,1,0,0,0|2,0,1]=4 676 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,0,1,0,0,0|2,0,1]=4 677 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,0,1,0,0,0|3,0,0]=4 678 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,0,1,0,0,0|2,0,0]=3 679 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,0,1,0,0,0|2,0,1]=4 680 B6R0.3 CCC(=O)C(C)Br MCULE-2803556971 [0,0,1,0,0,0|3,0,0]=4 681 B6R0.3 CCC(=O)C(C)C MCULE-9576230007 [0,0,1,0,0,0|3,0,0]=4 682 B6R0.3 CCC(=O)C(C)Cl MCULE-8346980404 [0,0,1,0,0,0|3,0,0]=4 683 B6R0.3 CCC(=O)C(C)N MCULE-5434634349 [0,0,1,0,0,0|2,0,0]=3 684 B6R0.3 CCC(=O)C(C)N MCULE-8408562669 [0,0,1,0,0,0|2,0,0]=3 685 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [0,0,1,0,0,0|3,0,0]=4 686 B6R0.3 CCC(=O)C(C)S MCULE-3934356624 [0,0,1,0,0,0|3,0,0]=4 687 B6R0.3 CCC(=O)N(C)C MCULE-1734001200 [0,0,1,0,0,0|2,0,0]=3 688 B6R0.3 CCC(=S)N(C)C MCULE-7026282622 [0,0,1,0,0,0|2,1,0]=4 689 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,0,1,0,0,0|3,0,0]=4 690 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,0,1,0,0,0|3,0,0]=4 691 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,0,1,0,0,0|3,0,0]=4 692 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,0,1,0,0,0|3,0,0]=4 693 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,0,1,0,0,0|2,0,0]=3 694 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,0,1,0,0,0|3,0,0]=4 695 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,0,1,0,0,0|3,0,0]=4 696 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,0,1,0,0,0|3,0,0]=4 697 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,0,1,0,0,0|2,0,0]=3 698 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,0,1,0,0,0|2,0,0]=3 699 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,0,1,0,0,0|3,0,0]=4 700 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,0,1,0,0,0|3,0,0]=4 701 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,0,1,0,0,0|2,0,0]=3 702 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,0,1,0,0,0|2,0,0]=3 703 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,0,1,0,0,0|2,0,0]=3 704 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,0,1,0,0,0|2,0,0]=3 705 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,0,1,0,0,0|2,0,0]=3 706 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,0,1,0,0,0|2,0,0]=3 707 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,0,1,0,0,0|1,0,0]=2 708 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,0,1,0,0,0|1,0,0]=2 709 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,0,1,0,0,0|1,0,0]=2 710 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,0,1,0,0,0|1,0,0]=2 711 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,0,1,0,0,0|2,0,1]=4 712 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,0,1,0,0,0|2,0,1]=4 713 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,0,1,0,0,0|3,0,0]=4 714 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,0,1,0,0,0|2,0,0]=3 715 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,0,1,0,0,0|2,0,0]=3 716 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,0,1,0,0,0|2,0,1]=4 717 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,0,1,0,0,0|2,0,1]=4 718 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,0,1,0,0,0|3,0,0]=4 719 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,0,1,0,0,0|2,0,0]=3 720 B6R0.3 CCN(C)C(=N)N MCULE-1941465818 [0,0,1,0,0,0|3,0,0]=4 721 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,0,1,0,0,0|2,0,0]=3 722 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,0,1,0,0,0|2,0,0]=3 723 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,0,1,0,0,0|1,0,0]=2 724 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,0,1,0,0,0|2,0,0]=3 725 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,0,1,0,0,0|2,0,0]=3 726 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,0,1,0,0,0|2,0,0]=3 727 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,0,1,0,0,0|3,0,0]=4 728 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,0,1,0,0,0|3,0,0]=4 729 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,0,1,0,0,0|2,0,0]=3 730 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,0,1,0,0,0|2,0,0]=3 731 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,0,1,0,0,0|2,0,0]=3 732 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,0,1,0,0,0|2,0,0]=3 733 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,0,1,0,0,0|2,0,0]=3 734 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,0,1,0,0,0|2,0,0]=3 735 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,0,1,0,0,0|2,0,0]=3 736 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,0,1,0,0,0|2,0,0]=3 737 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,0,1,0,0,0|1,0,0]=2 738 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,0,1,0,0,0|1,0,0]=2 739 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,0,1,0,0,0|1,0,0]=2 740 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,0,1,0,0,0|1,0,0]=2 741 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,0,1,0,0,0|2,0,1]=4 742 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,0,1,0,0,0|2,0,1]=4 743 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,0,1,0,0,0|2,0,0]=3 744 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,0,1,0,0,0|2,0,0]=3 745 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,0,1,0,0,0|2,0,0]=3 746 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,0,1,0,0,0|2,0,0]=3 747 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,0,1,0,0,0|2,0,0]=3 748 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,0,1,0,0,0|2,0,0]=3 749 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,0,1,0,0,0|2,0,0]=3 750 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,0,1,0,0,0|2,0,0]=3 751 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,0,1,0,0,0|2,0,0]=3 752 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,0,1,0,0,0|2,0,0]=3 753 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,0,1,0,0,0|2,0,0]=3 754 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,0,1,0,0,0|1,0,0]=2 755 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,0,1,0,0,0|1,0,0]=2 756 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,0,1,0,0,0|1,0,0]=2 757 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,0,1,0,0,0|1,0,0]=2 758 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,0,1,0,0,0|1,1,0]=3 759 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,0,1,0,0,0|1,1,0]=3 760 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,0,1,0,0,0|2,0,1]=4 761 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,0,1,0,0,0|2,0,1]=4 762 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,0,1,0,0,0|2,0,1]=4 763 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,0,1,0,0,0|2,0,1]=4 764 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,0,1,0,0,0|2,0,1]=4 765 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,0,1,0,0,0|2,0,1]=4 766 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,0,1,0,0,0|2,0,0]=3 767 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,0,1,0,0,0|2,0,0]=3 768 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,0,1,0,0,0|2,0,1]=4 769 B6R0.3 CN(C)C(=O)CBr MCULE-8318415267 [0,0,1,0,0,0|3,0,0]=4 770 B6R0.3 CN(C)C(=O)CCl MCULE-7153641042 [0,0,1,0,0,0|3,0,0]=4 771 B6R0.3 CN(C)C(=O)CI MCULE-4437173749 [0,0,1,0,0,0|3,0,0]=4 772 B6R0.3 CN(C)C(=O)CN MCULE-2195526798 [0,0,1,0,0,0|3,0,0]=4 773 B6R0.3 CN(C)C(=O)CN MCULE-4999236521 [0,0,1,0,0,0|3,0,0]=4 774 B6R0.3 CN(C)C(=O)CN MCULE-7091962350 [0,0,1,0,0,0|3,0,0]=4 775 B6R0.3 CN(C)C(=O)CO MCULE-8470749078 [0,0,1,0,0,0|3,0,0]=4 776 B6R0.3 CN(C)C(=O)CS MCULE-2815493030 [0,0,1,0,0,0|3,0,0]=4 777 B6R0.3 CN(C)C(=O)NN MCULE-1456206497 [0,0,1,0,0,0|3,0,0]=4 778 B6R0.3 CN(C)C(=O)NO MCULE-7406409363 [0,0,1,0,0,0|3,0,0]=4 779 B6R0.3 CN(N)C(=O)NO MCULE-9258932516 [0,0,1,0,0,0|2,0,0]=3 780 B6R0.3 CN(O)C(=O)CN MCULE-6904940710 [0,0,1,0,0,0|3,0,0]=4 781 B6R0.3 CN(O)C(=O)CN MCULE-7352809793 [0,0,1,0,0,0|3,0,0]=4 782 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,0,1,0,0,0|3,0,0]=4 783 B6R0.3 CNC(=O)C(C)Br MCULE-8111267694 [0,0,1,0,0,0|3,0,0]=4 784 B6R0.3 CNC(=O)C(C)C MCULE-9646758802 [0,0,1,0,0,0|3,0,0]=4 785 B6R0.3 CNC(=O)C(C)Cl MCULE-6524637023 [0,0,1,0,0,0|3,0,0]=4 786 B6R0.3 CNC(=O)C(C)N MCULE-2283707986 [0,0,1,0,0,0|2,0,0]=3 787 B6R0.3 CNC(=O)C(C)N MCULE-2976078375 [0,0,1,0,0,0|2,0,0]=3 788 B6R0.3 CNC(=O)C(C)N MCULE-5544490576 [0,0,1,0,0,0|2,0,0]=3 789 B6R0.3 CNC(=O)C(C)N MCULE-8815196909 [0,0,1,0,0,0|2,0,0]=3 790 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,0,1,0,0,0|3,0,0]=4 791 B6R0.3 CNC(=O)N(C)C MCULE-3799320827 [0,0,1,0,0,0|2,0,0]=3 792 B6R0.3 CNC(=O)[C@@H](C)N MCULE-4498032248 [0,0,1,0,0,0|2,0,0]=3 793 B6R0.3 CNC(=O)[C@@H](C)N MCULE-6909082129 [0,0,1,0,0,0|2,0,0]=3 794 B6R0.3 CNC(=O)[C@@H](C)N MCULE-7642558844 [0,0,1,0,0,0|2,0,0]=3 795 B6R0.3 CNC(=O)[C@@H](C)N MCULE-8543898121 [0,0,1,0,0,0|2,0,0]=3 796 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,0,1,0,0,0|3,0,0]=4 797 B6R0.3 CNC(=O)[C@H](C)N MCULE-5297375743 [0,0,1,0,0,0|2,0,0]=3 798 B6R0.3 CNC(=O)[C@H](C)N MCULE-6807150828 [0,0,1,0,0,0|2,0,0]=3 799 B6R0.3 CNC(=O)[C@H](C)N MCULE-8365508630 [0,0,1,0,0,0|2,0,0]=3 800 B6R0.3 CNC(=O)[C@H](C)N MCULE-9773818316 [0,0,1,0,0,0|2,0,0]=3 801 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,0,1,0,0,0|3,0,0]=4 802 B6R0.3 CNC(=S)N(C)C MCULE-5004489808 [0,0,1,0,0,0|2,1,0]=4 803 B6R0.3 CNC(=S)N(C)N MCULE-5065441902 [0,0,1,0,0,0|1,1,0]=3 804 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,0,1,0,0,0|3,0,0]=4 805 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,0,1,0,0,0|3,0,0]=4 806 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,0,1,0,0,0|3,0,0]=4 807 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,0,1,0,0,0|3,0,0]=4 808 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,0,1,0,0,0|3,0,0]=4 809 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,0,1,0,0,0|3,0,0]=4 810 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,0,1,0,0,0|3,0,0]=4 811 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,0,1,0,0,0|3,0,0]=4 812 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,0,1,0,0,0|3,0,0]=4 813 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,0,1,0,0,0|3,0,0]=4 814 B6R0.3 COC(=N)C(C)C MCULE-2061399513 [0,0,1,0,0,0|3,0,0]=4 815 B6R0.3 COC(=N)C(C)C MCULE-9270611186 [0,0,1,0,0,0|3,0,0]=4 816 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,0,1,0,0,0|2,0,0]=3 817 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,0,1,0,0,0|2,0,0]=3 818 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,0,1,0,0,0|2,0,0]=3 819 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [0,0,1,0,0,0|3,0,0]=4 820 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,0,1,0,0,0|3,0,0]=4 821 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [0,0,1,0,0,0|3,0,0]=4 822 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,0,1,0,0,0|2,0,0]=3 823 B6R0.3 COC(=O)C(Br)Br MCULE-7917032365 [0,0,1,0,0,0|3,0,0]=4 824 B6R0.3 COC(=O)C(C)Br MCULE-8218697195 [0,0,1,0,0,0|2,0,0]=3 825 B6R0.3 COC(=O)C(C)C MCULE-8740211817 [0,0,1,0,0,0|2,0,0]=3 826 B6R0.3 COC(=O)C(C)Cl MCULE-5874523100 [0,0,1,0,0,0|2,0,0]=3 827 B6R0.3 COC(=O)C(C)Cl MCULE-7725109837 [0,0,1,0,0,0|2,0,0]=3 828 B6R0.3 COC(=O)C(C)F MCULE-2381396302 [0,0,1,0,0,0|2,0,0]=3 829 B6R0.3 COC(=O)C(C)N MCULE-6823731158 [0,0,1,0,0,0|1,0,0]=2 830 B6R0.3 COC(=O)C(C)N MCULE-7003387212 [0,0,1,0,0,0|1,0,0]=2 831 B6R0.3 COC(=O)C(C)N MCULE-8331503444 [0,0,1,0,0,0|1,0,0]=2 832 B6R0.3 COC(=O)C(C)N MCULE-8860467123 [0,0,1,0,0,0|1,0,0]=2 833 B6R0.3 COC(=O)C(C)O MCULE-7040827393 [0,0,1,0,0,0|2,0,0]=3 834 B6R0.3 COC(=O)C(C)O MCULE-7872489483 [0,0,1,0,0,0|2,0,0]=3 835 B6R0.3 COC(=O)C(C)S MCULE-8499044680 [0,0,1,0,0,0|2,0,0]=3 836 B6R0.3 COC(=O)C(Cl)Cl MCULE-4062853805 [0,0,1,0,0,0|3,0,0]=4 837 B6R0.3 COC(=O)C(F)F MCULE-9701476276 [0,0,1,0,0,0|3,0,0]=4 838 B6R0.3 COC(=O)N(C)C MCULE-7772743169 [0,0,1,0,0,0|1,0,0]=2 839 B6R0.3 COC(=O)N(C)N MCULE-4131925989 [0,0,1,0,0,0|0,0,0]=1 840 B6R0.3 COC(=O)[C@@H](C)Br MCULE-8118895575 [0,0,1,0,0,0|2,0,0]=3 841 B6R0.3 COC(=O)[C@@H](C)Cl MCULE-1037727130 [0,0,1,0,0,0|2,0,0]=3 842 B6R0.3 COC(=O)[C@@H](C)F MCULE-4776326501 [0,0,1,0,0,0|2,0,0]=3 843 B6R0.3 COC(=O)[C@@H](C)F MCULE-8049982812 [0,0,1,0,0,0|2,0,0]=3 844 B6R0.3 COC(=O)[C@@H](C)N MCULE-6142127864 [0,0,1,0,0,0|1,0,0]=2 845 B6R0.3 COC(=O)[C@@H](C)N MCULE-6606835410 [0,0,1,0,0,0|1,0,0]=2 846 B6R0.3 COC(=O)[C@@H](C)N MCULE-7979979694 [0,0,1,0,0,0|1,0,0]=2 847 B6R0.3 COC(=O)[C@@H](C)N MCULE-9290287586 [0,0,1,0,0,0|1,0,0]=2 848 B6R0.3 COC(=O)[C@@H](C)O MCULE-5441095431 [0,0,1,0,0,0|2,0,0]=3 849 B6R0.3 COC(=O)[C@@H](C)O MCULE-6924152779 [0,0,1,0,0,0|2,0,0]=3 850 B6R0.3 COC(=O)[C@H](C)Cl MCULE-1009662992 [0,0,1,0,0,0|2,0,0]=3 851 B6R0.3 COC(=O)[C@H](C)Cl MCULE-7624485295 [0,0,1,0,0,0|2,0,0]=3 852 B6R0.3 COC(=O)[C@H](C)N MCULE-1665306037 [0,0,1,0,0,0|1,0,0]=2 853 B6R0.3 COC(=O)[C@H](C)N MCULE-2941352505 [0,0,1,0,0,0|1,0,0]=2 854 B6R0.3 COC(=O)[C@H](C)N MCULE-5314047552 [0,0,1,0,0,0|1,0,0]=2 855 B6R0.3 COC(=O)[C@H](C)N MCULE-7930428859 [0,0,1,0,0,0|1,0,0]=2 856 B6R0.3 COC(=O)[C@H](C)O MCULE-2590929895 [0,0,1,0,0,0|2,0,0]=3 857 B6R0.3 COC(=O)[C@H](C)O MCULE-3292709954 [0,0,1,0,0,0|2,0,0]=3 858 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,0,1,0,0,0|3,0,0]=4 859 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,0,1,0,0,0|3,0,0]=4 860 B6R0.3 COC(C)[C@@H](C)N MCULE-2029978265 [0,0,1,0,0,0|2,0,1]=4 861 B6R0.3 COC(C)[C@@H](C)N MCULE-4755003017 [0,0,1,0,0,0|2,0,1]=4 862 B6R0.3 COC(C)[C@@H](C)N MCULE-9820337483 [0,0,1,0,0,0|2,0,1]=4 863 B6R0.3 COC(C)[C@@H](C)N MCULE-9820818995 [0,0,1,0,0,0|2,0,1]=4 864 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,0,1,0,0,0|3,0,0]=4 865 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,0,1,0,0,0|3,0,0]=4 866 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,0,1,0,0,0|3,0,0]=4 867 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,0,1,0,0,0|3,0,0]=4 868 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,0,1,0,0,0|3,0,0]=4 869 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,0,1,0,0,0|3,0,0]=4 870 B6R0.3 CSC(=O)C(C)C MCULE-3533547228 [0,0,1,0,0,0|2,1,0]=4 871 B6R0.3 CSC(=S)N(C)C MCULE-5137103210 [0,0,1,0,0,0|1,2,0]=4 872 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,0,1,0,0,0|3,0,0]=4 873 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,0,1,0,0,0|3,0,0]=4 874 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,0,1,0,0,0|3,0,0]=4 875 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,0,1,0,0,0|3,0,0]=4 876 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,0,1,0,0,0|3,0,0]=4 877 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,0,1,0,0,0|3,0,0]=4 878 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,0,1,0,0,0|3,0,0]=4 879 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,0,1,0,0,0|3,0,0]=4 880 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,0,1,0,0,0|3,0,0]=4 881 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,0,1,0,0,0|3,0,0]=4 882 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,0,1,0,0,0|3,0,0]=4 883 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,0,1,0,0,0|3,0,0]=4 884 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,0,1,0,0,0|3,0,0]=4 885 B6R0.3 C[C@H](N)C(=O)CCl MCULE-1387458909 [0,0,1,0,0,0|3,0,0]=4 886 B6R0.3 C[C@H](N)C(=O)CCl MCULE-3307546885 [0,0,1,0,0,0|3,0,0]=4 887 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,0,1,0,0,0|3,0,0]=4 888 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,0,1,0,0,0|3,0,0]=4 889 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,0,1,0,0,0|3,0,0]=4 890 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,0,1,0,0,0|3,0,0]=4 891 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,0,1,0,0,0|3,0,0]=4 892 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,0,1,0,0,0|3,0,0]=4 893 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,0,1,0,0,0|3,0,0]=4 894 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,0,1,0,0,0|3,0,0]=4 895 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,0,1,0,0,0|3,0,0]=4 896 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,0,1,0,0,0|3,0,0]=4 897 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,0,1,0,0,0|3,0,0]=4 898 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,0,1,0,0,0|3,0,0]=4 899 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,0,1,0,0,0|2,0,0]=3 900 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,0,1,0,0,0|2,0,0]=3 901 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,0,1,0,0,0|2,0,0]=3 902 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,0,1,0,0,0|2,0,0]=3 903 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,0,1,0,0,0|2,0,0]=3 904 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,0,1,0,0,0|2,0,0]=3 905 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,0,1,0,0,0|2,0,0]=3 906 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,0,1,0,0,0|2,0,0]=3 907 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,0,1,0,0,0|2,0,0]=3 908 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,0,1,0,0,0|2,0,0]=3 909 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,0,1,0,0,0|3,0,0]=4 910 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,0,1,0,0,0|3,0,0]=4 911 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,0,1,0,0,0|3,0,0]=4 912 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,0,1,0,0,0|3,0,0]=4 913 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,0,1,0,0,0|2,0,0]=3 914 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,0,1,0,0,0|2,0,0]=3 915 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,0,1,0,0,0|2,0,0]=3 916 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,0,1,0,0,0|2,0,0]=3 917 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,0,1,0,0,0|2,0,0]=3 918 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,0,1,0,0,0|3,0,0]=4 919 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,0,1,0,0,0|3,0,0]=4 920 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,0,1,0,0,0|3,0,0]=4 921 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,0,1,0,0,0|3,0,0]=4 922 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,0,1,0,0,0|3,0,0]=4 923 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,0,1,0,0,0|3,0,0]=4 924 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,0,1,0,0,0|2,0,0]=3 925 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,0,1,0,0,0|2,0,0]=3 926 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,0,1,0,0,0|2,0,0]=3 927 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,0,1,0,0,0|3,0,0]=4 928 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,0,1,0,0,0|3,0,0]=4 929 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,0,1,0,0,0|3,0,0]=4 930 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,0,1,0,0,0|3,0,0]=4 931 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,0,1,0,0,0|3,0,0]=4 932 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,0,1,0,0,0|3,0,0]=4 933 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,0,1,0,0,0|2,0,0]=3 934 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,0,1,0,0,0|2,0,0]=3 935 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,0,1,0,0,0|2,0,0]=3 936 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,0,1,0,0,0|2,0,0]=3 937 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,0,1,0,0,0|2,0,0]=3 938 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,0,1,0,0,0|2,0,0]=3 939 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,0,1,0,0,0|3,0,0]=4 940 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,0,1,0,0,0|3,0,0]=4 941 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,0,1,0,0,0|2,0,0]=3 942 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,0,1,0,0,0|2,0,0]=3 943 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,0,1,0,0,0|2,0,0]=3 944 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,0,1,0,0,0|2,0,0]=3 945 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,0,1,0,0,0|2,0,0]=3 946 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,0,1,0,0,0|2,0,0]=3 947 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,0,1,0,0,0|2,0,0]=3 948 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,0,1,0,0,0|2,0,0]=3 949 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,0,1,0,0,0|2,0,0]=3 950 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,0,1,0,0,0|2,0,0]=3 951 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,0,1,0,0,0|2,0,0]=3 952 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,0,1,0,0,0|2,0,0]=3 953 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,0,1,0,0,0|2,0,0]=3 954 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,0,1,0,0,0|2,0,0]=3 955 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,0,1,0,0,0|2,0,0]=3 956 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,0,1,0,0,0|2,0,0]=3 957 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,0,1,0,0,0|2,0,0]=3 958 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,0,1,0,0,0|2,0,0]=3 959 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,0,1,0,0,0|2,0,0]=3 960 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,0,1,0,0,0|2,0,0]=3 961 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,0,1,0,0,0|2,0,0]=3 962 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,0,1,0,0,0|2,0,0]=3 963 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,0,1,0,0,0|2,0,0]=3 964 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,0,1,0,0,0|2,0,0]=3 965 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,0,1,0,0,0|3,0,0]=4 966 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,0,1,0,0,0|3,0,0]=4 967 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,0,1,0,0,0|3,0,0]=4 968 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,0,1,0,0,0|3,0,0]=4 969 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,0,1,0,0,0|3,0,0]=4 970 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,0,1,0,0,0|3,0,0]=4 971 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,0,1,0,0,0|3,0,0]=4 972 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,0,1,0,0,0|3,0,0]=4 973 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,0,1,0,0,0|3,0,0]=4 974 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,0,1,0,0,0|3,0,0]=4 975 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,0,1,0,0,0|3,0,0]=4 976 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,0,1,0,0,0|3,0,0]=4 977 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,0,1,0,0,0|3,0,0]=4 978 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,0,1,0,0,0|3,0,0]=4 979 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,0,1,0,0,0|3,0,0]=4 980 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,0,1,0,0,0|3,0,0]=4 981 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,0,1,0,0,0|3,0,0]=4 982 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,0,1,0,0,0|3,0,0]=4 983 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,0,1,0,0,0|3,0,0]=4 984 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,0,1,0,0,0|3,0,0]=4 985 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,0,1,0,0,0|3,0,0]=4 986 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,0,1,0,0,0|3,0,0]=4 987 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,0,1,0,0,0|1,0,2]=4 988 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,0,1,0,0,0|2,0,0]=3 989 B6R0.3 [C@H](C)(Cl)C(=O)OC MCULE-7212330759 [0,0,1,0,0,0|2,0,0]=3 990 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,0,1,0,0,0|3,0,0]=4 991 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,0,1,0,0,0|3,0,0]=4 992 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,0,1,0,0,0|2,0,0]=3 993 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,0,1,0,0,0|2,0,0]=3 994 B6R0.6 C#CCCCC=O MCULE-4075029417 [0,0,1,0,0,0|3,0,0]=4 995 B6R0.6 C=CCCCC=O MCULE-8676840281 [0,0,1,0,0,0|3,0,0]=4 996 B6R0.6 C=CCCCCN MCULE-1489231988 [0,0,1,0,0,0|3,0,0]=4 997 B6R0.6 C=CCCCCN MCULE-4288584778 [0,0,1,0,0,0|3,0,0]=4 998 B6R0.6 C=CCCCNC MCULE-6696525157 [0,0,1,0,0,0|3,0,0]=4 999 B6R0.6 C=CCCCNC MCULE-7417274044 [0,0,1,0,0,0|3,0,0]=4 1000 B6R0.6 C=CCCCON MCULE-6496647420 [0,0,1,0,0,0|3,0,0]=4 1001 B6R0.6 C=CCCCON MCULE-7055713530 [0,0,1,0,0,0|3,0,0]=4 1002 B6R0.6 C=COCCCC MCULE-2025922328 [0,0,1,0,0,0|3,0,0]=4 1003 B6R0.6 C=COCCCN MCULE-1669664157 [0,0,1,0,0,0|2,0,0]=3 1004 B6R0.6 C=COCCCO MCULE-8325617945 [0,0,1,0,0,0|3,0,0]=4 1005 B6R0.6 C=COCCOC MCULE-6845218696 [0,0,1,0,0,0|3,0,0]=4 1006 B6R0.6 C=COCCON MCULE-8247202981 [0,0,1,0,0,0|2,0,0]=3 1007 B6R0.6 CCCCCC=O MCULE-6770578514 [0,0,1,0,0,0|3,0,0]=4 1008 B6R0.6 CCCCCNN MCULE-5089668540 [0,0,1,0,0,0|2,0,1]=4 1009 B6R0.6 CCCCCNN MCULE-7265120524 [0,0,1,0,0,0|2,0,1]=4 1010 B6R0.6 CCCCNC=O MCULE-8821792924 [0,0,1,0,0,0|3,0,0]=4 1011 B6R0.6 CCCCOC=O MCULE-4633421026 [0,0,1,0,0,0|2,0,0]=3 1012 B6R0.6 CCCCON=O MCULE-9992790020 [0,0,1,0,0,0|3,0,0]=4 1013 B6R0.6 CCOCCCN MCULE-3491529722 [0,0,1,0,0,0|2,0,1]=4 1014 B6R0.6 CCOCCNC MCULE-5244682559 [0,0,1,0,0,0|2,0,1]=4 1015 B6R0.6 CCOCCNC MCULE-9344296133 [0,0,1,0,0,0|2,0,1]=4 1016 B6R0.6 CCOCCNN MCULE-2995792378 [0,0,1,0,0,0|1,0,1]=3 1017 B6R0.6 CCOCCNN MCULE-7756116612 [0,0,1,0,0,0|1,0,1]=3 1018 B6R0.6 CCOCCON MCULE-6072859154 [0,0,1,0,0,0|2,0,1]=4 1019 B6R0.6 CCOCCON MCULE-7716477934 [0,0,1,0,0,0|2,0,1]=4 1020 B6R0.6 COCCCC=O MCULE-2055914202 [0,0,1,0,0,0|3,0,0]=4 1021 B6R0.6 COCCCNN MCULE-5097653856 [0,0,1,0,0,0|3,0,0]=4 1022 B6R0.6 COCCCNN MCULE-7758841774 [0,0,1,0,0,0|3,0,0]=4 1023 B6R0.6 COCCNC=O MCULE-9003279073 [0,0,1,0,0,0|3,0,0]=4 1024 B6R0.6 CSCCCC=O MCULE-6353729217 [0,0,1,0,0,0|3,0,0]=4 1025 B6R0.6 NCCCNC=O MCULE-9651299205 [0,0,1,0,0,0|2,0,0]=3 1026 B6R0.6 NNCCCCO MCULE-3928748589 [0,0,1,0,0,0|1,0,2]=4 1027 B6R0.6 O=CCCCC=O MCULE-6802048757 [0,0,1,0,0,0|3,0,0]=4 1028 B6R0.6 O=CCCCCCl MCULE-1257670284 [0,0,1,0,0,0|3,0,0]=4 1029 B6R0.6 O=CCCCCO MCULE-7959082228 [0,0,1,0,0,0|3,0,0]=4 1030 B6R0.6 O=CNCCCO MCULE-7926485528 [0,0,1,0,0,0|3,0,0]=4 1031 B8R2.4 O=C1CC2CC1C2 MCULE-5372379094 [0,0,0,1,0,0|3,0,0]=4 1032 B8R2.38 O=C1CCC2C1C2 MCULE-4714285285 [0,0,0,1,0,0|3,0,0]=4 1033 B8R2.38 O=C1CCC2C1O2 MCULE-5532735099 [0,0,0,1,0,0|3,0,0]=4 1034 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 MCULE-7728867768 [0,0,0,1,0,0|3,0,0]=4 1035 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-1007541778 [0,0,0,1,0,0|3,0,0]=4 1036 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-8077752466 [0,0,0,1,0,0|3,0,0]=4 1037 B8R2.38 O=C1NCC2C1C2 MCULE-5593114305 [0,0,0,1,0,0|3,0,0]=4 1038 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 MCULE-6438081695 [0,0,0,1,0,0|3,0,0]=4 1039 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,0,1,0|2,0,0]=3 1040 B6R1.4 CC1CCC1N MCULE-9634057678 [0,0,0,0,1,0|2,0,1]=4 1041 B6R1.4 CC1CCC1N MCULE-9849489304 [0,0,0,0,1,0|2,0,1]=4 1042 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,0,1,0|3,0,0]=4 1043 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,0,1,0|2,0,0]=3 1044 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,0,1,0|3,0,0]=4 1045 B6R1.4 C[C@@H]1CC[C@@H]1N MCULE-9803413081 [0,0,0,0,1,0|2,0,1]=4 1046 B6R1.4 C[C@@H]1CC[C@H]1N MCULE-3888655890 [0,0,0,0,1,0|2,0,1]=4 1047 B6R1.4 C[C@H]1CC[C@@H]1N MCULE-1445146965 [0,0,0,0,1,0|2,0,1]=4 1048 B6R1.4 C[C@H]1CC[C@H]1N MCULE-3329522369 [0,0,0,0,1,0|2,0,1]=4 1049 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,0,1,0|1,0,0]=2 1050 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,0,1,0|1,0,0]=2 1051 B6R1.4 NC1CCC1F MCULE-1403984623 [0,0,0,0,1,0|2,0,1]=4 1052 B6R1.4 NC1CCC1F MCULE-8216841286 [0,0,0,0,1,0|2,0,1]=4 1053 B6R1.4 NC1CCC1N MCULE-6052332328 [0,0,0,0,1,0|2,0,1]=4 1054 B6R1.4 NC1CCC1O MCULE-4636397534 [0,0,0,0,1,0|1,0,2]=4 1055 B6R1.4 NC1CCC1O MCULE-7148132261 [0,0,0,0,1,0|1,0,2]=4 1056 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,0,0,0,1,0|2,0,0]=3 1057 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,0,0,0,1,0|2,0,0]=3 1058 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,0,0,0,1,0|2,0,0]=3 1059 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,0,1,0|1,0,0]=2 1060 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,0,1,0|0,0,0]=1 1061 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,0,1,0|0,0,0]=1 1062 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,0,0,0,1,0|1,0,2]=4 1063 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,0,0,0,1,0|1,0,2]=4 1064 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,0,0,0,1,0|1,0,2]=4 1065 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,0,0,0,1,0|1,0,2]=4 1066 B6R1.4 N[C@@H]1CC[C@H]1N MCULE-6204977772 [0,0,0,0,1,0|2,0,1]=4 1067 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,0,0,0,1,0|1,0,2]=4 1068 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,0,0,0,1,0|1,0,2]=4 1069 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,0,0,0,1,0|1,0,2]=4 1070 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,0,0,0,1,0|1,0,2]=4 1071 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,0,0,0,1,0|2,0,0]=3 1072 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,0,0,0,1,0|2,0,0]=3 1073 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,0,0,0,1,0|2,0,0]=3 1074 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,0,0,0,1,0|2,0,0]=3 1075 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,0,1,0|1,0,0]=2 1076 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,0,1,0|1,0,0]=2 1077 B6R1.4 N[C@H]1CC[C@@H]1N MCULE-3551063683 [0,0,0,0,1,0|2,0,1]=4 1078 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,0,0,0,1,0|1,0,2]=4 1079 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,0,0,0,1,0|1,0,2]=4 1080 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,0,0,0,1,0|1,0,2]=4 1081 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,0,0,0,1,0|1,0,2]=4 1082 B6R1.4 N[C@H]1CC[C@H]1N MCULE-2823061893 [0,0,0,0,1,0|2,0,1]=4 1083 B6R1.4 N[C@H]1CC[C@H]1N MCULE-6752412872 [0,0,0,0,1,0|2,0,1]=4 1084 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,0,0,0,1,0|1,0,2]=4 1085 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,0,0,0,1,0|1,0,2]=4 1086 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,0,0,0,1,0|2,0,0]=3 1087 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,0,0,0,1,0|2,0,0]=3 1088 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,0,0,0,1,0|2,0,0]=3 1089 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,0,0,0,1,0|2,0,0]=3 1090 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,0,1,0|1,0,0]=2 1091 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,0,0,0,1,0|2,0,0]=3 1092 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,0,0,0,1,0|2,0,0]=3 1093 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,0,1,0|2,0,0]=3 1094 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,0,0,0,1,0|2,0,0]=3 1095 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,0,1,0|1,0,0]=2 1096 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,0,0,0,0,1|3,0,0]=4 1097 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,0,0,0,0,1|3,0,0]=4 1098 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,0,0,0,0,1|2,0,0]=3 1099 B8R1.4 CC1CC(CCO1)N MCULE-6804148880 [0,0,0,0,0,1|2,0,1]=4 1100 B8R1.4 CC1CC(CCO1)N MCULE-8648516718 [0,0,0,0,0,1|2,0,1]=4 1101 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,0,0,1|3,0,0]=4 1102 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,0,0,1|3,0,0]=4 1103 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,0,0,0,0,1|3,0,0]=4 1104 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,0,0,0,0,1|3,0,0]=4 1105 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,0,0,1|3,0,0]=4 1106 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,0,0,0,0,1|3,0,0]=4 1107 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,0,0,1|2,0,0]=3 1108 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,0,0,1|2,0,0]=3 1109 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [0,0,0,0,0,1|3,0,0]=4 1110 B8R1.4 CN1CCC=C(C1)Br MCULE-2257933393 [0,0,0,0,0,1|3,0,0]=4 1111 B8R1.4 CN1CCC=C(C1)Br MCULE-5744160461 [0,0,0,0,0,1|3,0,0]=4 1112 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,0,0,0,0,1|2,0,0]=3 1113 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,0,0,0,0,1|2,0,0]=3 1114 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,0,0,0,0,1|2,0,0]=3 1115 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,0,0,0,0,1|1,0,0]=2 1116 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,0,0,0,0,1|1,0,0]=2 1117 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,0,0,1|3,0,0]=4 1118 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,0,0,1|3,0,0]=4 1119 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,0,0,0,0,1|3,0,0]=4 1120 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,0,0,0,0,1|3,0,0]=4 1121 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,0,0,0,0,1|3,0,0]=4 1122 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,0,0,0,0,1|3,0,0]=4 1123 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-5401313109 [0,0,0,0,0,1|2,0,1]=4 1124 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-6369939467 [0,0,0,0,0,1|2,0,1]=4 1125 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-3414529082 [0,0,0,0,0,1|2,0,1]=4 1126 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-9424615508 [0,0,0,0,0,1|2,0,1]=4 1127 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,0,0,1|3,0,0]=4 1128 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,0,0,1|3,0,0]=4 1129 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,0,0,1|3,0,0]=4 1130 B8R1.4 C[C@H]1C[C@@H](CCO1)N MCULE-1731421927 [0,0,0,0,0,1|2,0,1]=4 1131 B8R1.4 C[C@H]1C[C@H](CCO1)N MCULE-6954386064 [0,0,0,0,0,1|2,0,1]=4 1132 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,0,0,0,0,1|2,0,0]=3 1133 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,0,0,0,0,1|3,0,0]=4 1134 B8R1.4 NC1=NCCC(=O)N1 MCULE-1616157929 [0,0,0,0,0,1|3,0,0]=4 1135 B8R1.4 NC1C=C(CCC1)F MCULE-7477602128 [0,0,0,0,0,1|3,0,0]=4 1136 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,0,0,1|2,0,0]=3 1137 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,0,0,1|2,0,0]=3 1138 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,0,0,1|2,0,0]=3 1139 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,0,0,1|2,0,0]=3 1140 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,0,0,1|2,0,0]=3 1141 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,0,0,1|2,0,0]=3 1142 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,0,0,1|3,0,0]=4 1143 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,0,0,1|3,0,0]=4 1144 B8R1.4 NN1CCCC(C1)O MCULE-4022389356 [0,0,0,0,0,1|1,0,2]=4 1145 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,0,0,1|2,0,0]=3 1146 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,0,0,1|2,0,0]=3 1147 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,0,0,1|3,0,0]=4 1148 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,0,0,1|3,0,0]=4 1149 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,0,0,1|2,0,0]=3 1150 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,0,0,1|2,0,0]=3 1151 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,0,0,1|2,0,0]=3 1152 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,0,0,1|2,0,0]=3 1153 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [0,0,0,0,0,1|3,0,0]=4 1154 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [0,0,0,0,0,1|3,0,0]=4 1155 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [0,0,0,0,0,1|3,0,0]=4 1156 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [0,0,0,0,0,1|3,0,0]=4 1157 B8R1.4 O=C1C=C(CCN1)Br MCULE-5356952780 [0,0,0,0,0,1|3,0,0]=4 1158 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,0,0,1|3,0,0]=4 1159 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,0,0,1|3,0,0]=4 1160 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,0,0,1|3,0,0]=4 1161 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,0,0,1|3,0,0]=4 1162 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,0,0,0,0,1|3,0,0]=4 1163 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [0,0,0,0,0,1|3,0,0]=4 1164 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,0,0,0,0,1|3,0,0]=4 1165 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,0,0,1|3,0,0]=4 1166 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,0,0,1|3,0,0]=4 1167 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,0,0,0,0,1|3,0,0]=4 1168 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [0,0,0,0,0,1|3,0,0]=4 1169 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,0,0,0,0,1|3,0,0]=4 1170 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,0,0,0,0,1|2,0,0]=3 1171 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,0,0,1|3,0,0]=4 1172 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,0,0,1|3,0,0]=4 1173 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,0,0,1|3,0,0]=4 1174 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,0,0,1|3,0,0]=4 1175 B8R1.4 O=C1NC(=S)CCS1 MCULE-5745642312 [0,0,0,0,0,1|2,1,0]=4 1176 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,0,0,0,0,1|3,0,0]=4 1177 B8R1.5 C=C1CCCNC1=O MCULE-1867993758 [0,0,0,0,0,1|3,0,0]=4 1178 B8R1.5 C=C1COCCC1N MCULE-4966385224 [0,0,0,0,0,1|2,0,0]=3 1179 B8R1.5 CC1=CCCCC1=O MCULE-6245248136 [0,0,0,0,0,1|3,0,0]=4 1180 B8R1.5 CC1=NCCCN1C MCULE-1598225464 [0,0,0,0,0,1|3,0,0]=4 1181 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [0,0,0,0,0,1|3,0,0]=4 1182 B8R1.5 CC1CCCCN1N MCULE-8724967874 [0,0,0,0,0,1|2,0,1]=4 1183 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [0,0,0,0,0,1|3,0,0]=4 1184 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [0,0,0,0,0,1|2,0,0]=3 1185 B8R1.5 CC1CCNCC1=O MCULE-8618050685 [0,0,0,0,0,1|3,0,0]=4 1186 B8R1.5 CC1CCNCC1=O MCULE-9238977073 [0,0,0,0,0,1|3,0,0]=4 1187 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [0,0,0,0,0,1|2,0,0]=3 1188 B8R1.5 CC1CNCCC1=O MCULE-6306655160 [0,0,0,0,0,1|3,0,0]=4 1189 B8R1.5 CC1CNCCC1=O MCULE-9018912988 [0,0,0,0,0,1|3,0,0]=4 1190 B8R1.5 CC1COCCC1=O MCULE-2694187526 [0,0,0,0,0,1|3,0,0]=4 1191 B8R1.5 CC1COCCC1N MCULE-6236890728 [0,0,0,0,0,1|2,0,1]=4 1192 B8R1.5 CC1COCCC1N MCULE-7497946239 [0,0,0,0,0,1|2,0,1]=4 1193 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [0,0,0,0,0,1|3,0,0]=4 1194 B8R1.5 CC1NCCCC1=O MCULE-1303642695 [0,0,0,0,0,1|3,0,0]=4 1195 B8R1.5 CC1NCCCC1=O MCULE-6618358169 [0,0,0,0,0,1|3,0,0]=4 1196 B8R1.5 CC1NCCNC1=O MCULE-3078767867 [0,0,0,0,0,1|3,0,0]=4 1197 B8R1.5 CC1NCCNC1=O MCULE-9884862705 [0,0,0,0,0,1|3,0,0]=4 1198 B8R1.5 CC1OCCNC1=O MCULE-8812176499 [0,0,0,0,0,1|3,0,0]=4 1199 B8R1.5 CC1SCCCC1=O MCULE-7641066964 [0,0,0,0,0,1|3,0,0]=4 1200 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [0,0,0,0,0,1|3,0,0]=4 1201 B8R1.5 CN1CCCCC1=O MCULE-9619129797 [0,0,0,0,0,1|2,0,0]=3 1202 B8R1.5 CN1CCCNC1=O MCULE-3141639397 [0,0,0,0,0,1|2,0,0]=3 1203 B8R1.5 CN1CCCNC1=S MCULE-2262321761 [0,0,0,0,0,1|2,1,0]=4 1204 B8R1.5 CN1CCNCC1=O MCULE-4783963074 [0,0,0,0,0,1|2,0,0]=3 1205 B8R1.5 CN1CCNCC1=O MCULE-7251084542 [0,0,0,0,0,1|2,0,0]=3 1206 B8R1.5 CN1CCNCC1=O MCULE-9201460493 [0,0,0,0,0,1|2,0,0]=3 1207 B8R1.5 CN1CCNCC1=O MCULE-9789420240 [0,0,0,0,0,1|2,0,0]=3 1208 B8R1.5 CN1CCOCC1=O MCULE-8864378597 [0,0,0,0,0,1|1,0,0]=2 1209 B8R1.5 C[C@@H]1COCC[C@@H]1N MCULE-1854737385 [0,0,0,0,0,1|2,0,1]=4 1210 B8R1.5 C[C@@H]1COCC[C@@H]1N MCULE-5272955365 [0,0,0,0,0,1|2,0,1]=4 1211 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-1385721208 [0,0,0,0,0,1|2,0,1]=4 1212 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-1584947952 [0,0,0,0,0,1|2,0,1]=4 1213 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-3448920251 [0,0,0,0,0,1|2,0,1]=4 1214 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-7256484712 [0,0,0,0,0,1|2,0,1]=4 1215 B8R1.5 C[C@@H]1NCCNC1=O MCULE-1719923601 [0,0,0,0,0,1|3,0,0]=4 1216 B8R1.5 C[C@@H]1NCCNC1=O MCULE-3211216058 [0,0,0,0,0,1|3,0,0]=4 1217 B8R1.5 C[C@@H]1NCCNC1=O MCULE-4268624973 [0,0,0,0,0,1|3,0,0]=4 1218 B8R1.5 C[C@H]1CNCCC1=O MCULE-8062269317 [0,0,0,0,0,1|3,0,0]=4 1219 B8R1.5 C[C@H]1CNCCC1=O MCULE-9510433313 [0,0,0,0,0,1|3,0,0]=4 1220 B8R1.5 C[C@H]1COCCC1=O MCULE-3103478095 [0,0,0,0,0,1|3,0,0]=4 1221 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-3420685614 [0,0,0,0,0,1|2,0,1]=4 1222 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-4495690357 [0,0,0,0,0,1|2,0,1]=4 1223 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-9724547988 [0,0,0,0,0,1|2,0,1]=4 1224 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-9889716251 [0,0,0,0,0,1|2,0,1]=4 1225 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-3075216082 [0,0,0,0,0,1|2,0,1]=4 1226 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-4276602047 [0,0,0,0,0,1|2,0,1]=4 1227 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-6090606114 [0,0,0,0,0,1|2,0,1]=4 1228 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-6610603811 [0,0,0,0,0,1|2,0,1]=4 1229 B8R1.5 C[C@H]1NCCNC1=O MCULE-1350777729 [0,0,0,0,0,1|3,0,0]=4 1230 B8R1.5 C[C@H]1NCCNC1=O MCULE-3433713206 [0,0,0,0,0,1|3,0,0]=4 1231 B8R1.5 C[C@H]1NCCNC1=O MCULE-6014092524 [0,0,0,0,0,1|3,0,0]=4 1232 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [0,0,0,0,0,1|2,0,0]=3 1233 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [0,0,0,0,0,1|2,0,0]=3 1234 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [0,0,0,0,0,1|2,0,0]=3 1235 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [0,0,0,0,0,1|2,0,0]=3 1236 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [0,0,0,0,0,1|2,0,0]=3 1237 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [0,0,0,0,0,1|2,0,0]=3 1238 B8R1.5 NC1CCOCC1F MCULE-1016932578 [0,0,0,0,0,1|2,0,1]=4 1239 B8R1.5 NC1CCOCC1F MCULE-9622790392 [0,0,0,0,0,1|2,0,1]=4 1240 B8R1.5 NC1CCOCC1O MCULE-2815184899 [0,0,0,0,0,1|1,0,2]=4 1241 B8R1.5 NC1CCOCC1O MCULE-4548392204 [0,0,0,0,0,1|1,0,2]=4 1242 B8R1.5 NC1COCCC1=O MCULE-2621905094 [0,0,0,0,0,1|2,0,0]=3 1243 B8R1.5 NC1COCCC1=O MCULE-5417580672 [0,0,0,0,0,1|2,0,0]=3 1244 B8R1.5 NN1C=CC=CC1=O MCULE-6844638196 [0,0,0,0,0,1|1,0,2]=4 1245 B8R1.5 NN1CCCCC1=O MCULE-3663308028 [0,0,0,0,0,1|1,0,0]=2 1246 B8R1.5 NN1CCCCC1=O MCULE-9929233745 [0,0,0,0,0,1|1,0,0]=2 1247 B8R1.5 NN1CCCNC1=O MCULE-1690172508 [0,0,0,0,0,1|1,0,0]=2 1248 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [0,0,0,0,0,1|0,0,0]=1 1249 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [0,0,0,0,0,1|2,0,0]=3 1250 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [0,0,0,0,0,1|2,0,0]=3 1251 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [0,0,0,0,0,1|2,0,0]=3 1252 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [0,0,0,0,0,1|2,0,0]=3 1253 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-1239747130 [0,0,0,0,0,1|2,0,1]=4 1254 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-2720196545 [0,0,0,0,0,1|2,0,1]=4 1255 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-4681308404 [0,0,0,0,0,1|2,0,1]=4 1256 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-5510784592 [0,0,0,0,0,1|2,0,1]=4 1257 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-6118396691 [0,0,0,0,0,1|2,0,1]=4 1258 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-9001277868 [0,0,0,0,0,1|2,0,1]=4 1259 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-1888816293 [0,0,0,0,0,1|1,0,2]=4 1260 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3667258867 [0,0,0,0,0,1|1,0,2]=4 1261 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3915823883 [0,0,0,0,0,1|1,0,2]=4 1262 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-9959521476 [0,0,0,0,0,1|1,0,2]=4 1263 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-3556707940 [0,0,0,0,0,1|2,0,1]=4 1264 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-4525092522 [0,0,0,0,0,1|2,0,1]=4 1265 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-7086756183 [0,0,0,0,0,1|2,0,1]=4 1266 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-8506007792 [0,0,0,0,0,1|2,0,1]=4 1267 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-1071839837 [0,0,0,0,0,1|1,0,2]=4 1268 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-6051401821 [0,0,0,0,0,1|1,0,2]=4 1269 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-7013720281 [0,0,0,0,0,1|1,0,2]=4 1270 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-8477518337 [0,0,0,0,0,1|1,0,2]=4 1271 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [0,0,0,0,0,1|2,0,0]=3 1272 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [0,0,0,0,0,1|2,0,0]=3 1273 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [0,0,0,0,0,1|2,0,0]=3 1274 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [0,0,0,0,0,1|2,0,0]=3 1275 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-1493875164 [0,0,0,0,0,1|2,0,1]=4 1276 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-2102376472 [0,0,0,0,0,1|2,0,1]=4 1277 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-6109633704 [0,0,0,0,0,1|2,0,1]=4 1278 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-7337274868 [0,0,0,0,0,1|2,0,1]=4 1279 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-9740357152 [0,0,0,0,0,1|2,0,1]=4 1280 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-9831607120 [0,0,0,0,0,1|2,0,1]=4 1281 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-1217623714 [0,0,0,0,0,1|1,0,2]=4 1282 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4607259008 [0,0,0,0,0,1|1,0,2]=4 1283 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4749541215 [0,0,0,0,0,1|1,0,2]=4 1284 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-9683658087 [0,0,0,0,0,1|1,0,2]=4 1285 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-1550590585 [0,0,0,0,0,1|2,0,1]=4 1286 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-4067592428 [0,0,0,0,0,1|2,0,1]=4 1287 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-4649837852 [0,0,0,0,0,1|2,0,1]=4 1288 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-6334068028 [0,0,0,0,0,1|2,0,1]=4 1289 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1807586879 [0,0,0,0,0,1|1,0,2]=4 1290 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1937023434 [0,0,0,0,0,1|1,0,2]=4 1291 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4374635229 [0,0,0,0,0,1|1,0,2]=4 1292 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4873019238 [0,0,0,0,0,1|1,0,2]=4 1293 B8R1.5 O=C1CCCC=C1Br MCULE-3661382076 [0,0,0,0,0,1|3,0,0]=4 1294 B8R1.5 O=C1CCCC=C1I MCULE-5006563152 [0,0,0,0,0,1|3,0,0]=4 1295 B8R1.5 O=C1CCCCC1=O MCULE-5770827130 [0,0,0,0,0,1|3,0,0]=4 1296 B8R1.5 O=C1CCCCC1Br MCULE-9356057483 [0,0,0,0,0,1|3,0,0]=4 1297 B8R1.5 O=C1CCCCC1Cl MCULE-1580566298 [0,0,0,0,0,1|3,0,0]=4 1298 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [0,0,0,0,0,1|3,0,0]=4 1299 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [0,0,0,0,0,1|3,0,0]=4 1300 B8R1.5 O=C1CCCNC1=O MCULE-3369124759 [0,0,0,0,0,1|3,0,0]=4 1301 B8R1.5 O=C1CCNCC1Br MCULE-1607524353 [0,0,0,0,0,1|3,0,0]=4 1302 B8R1.5 O=C1CCNCC1Br MCULE-2623420651 [0,0,0,0,0,1|3,0,0]=4 1303 B8R1.5 O=C1CCNCC1Br MCULE-9921456309 [0,0,0,0,0,1|3,0,0]=4 1304 B8R1.5 O=C1CCNCC1F MCULE-4156323292 [0,0,0,0,0,1|3,0,0]=4 1305 B8R1.5 O=C1CCNCC1F MCULE-5488977269 [0,0,0,0,0,1|3,0,0]=4 1306 B8R1.5 O=C1CCNC[C@@H]1F MCULE-1703177711 [0,0,0,0,0,1|3,0,0]=4 1307 B8R1.5 O=C1CCNC[C@@H]1F MCULE-2722101377 [0,0,0,0,0,1|3,0,0]=4 1308 B8R1.5 O=C1CCNC[C@@H]1F MCULE-3843083136 [0,0,0,0,0,1|3,0,0]=4 1309 B8R1.5 O=C1CCNC[C@@H]1F MCULE-8423259867 [0,0,0,0,0,1|3,0,0]=4 1310 B8R1.5 O=C1CCNC[C@H]1F MCULE-4893691455 [0,0,0,0,0,1|3,0,0]=4 1311 B8R1.5 O=C1CCNC[C@H]1F MCULE-7014608979 [0,0,0,0,0,1|3,0,0]=4 1312 B8R1.5 O=C1CCOCC1Br MCULE-1103002154 [0,0,0,0,0,1|3,0,0]=4 1313 B8R1.5 O=C1CCOCC1Cl MCULE-6926183930 [0,0,0,0,0,1|3,0,0]=4 1314 B8R1.5 O=C1CCOCC1F MCULE-8590362767 [0,0,0,0,0,1|3,0,0]=4 1315 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [0,0,0,0,0,1|3,0,0]=4 1316 B8R1.5 O=C1CCOC[C@@H]1Br MCULE-8729201111 [0,0,0,0,0,1|3,0,0]=4 1317 B8R1.5 O=C1CCOC[C@@H]1F MCULE-3075219245 [0,0,0,0,0,1|3,0,0]=4 1318 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [0,0,0,0,0,1|3,0,0]=4 1319 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [0,0,0,0,0,1|3,0,0]=4 1320 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [0,0,0,0,0,1|3,0,0]=4 1321 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [0,0,0,0,0,1|3,0,0]=4 1322 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [0,0,0,0,0,1|3,0,0]=4 1323 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [0,0,0,0,0,1|3,0,0]=4 1324 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [0,0,0,0,0,1|3,0,0]=4 1325 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [0,0,0,0,0,1|3,0,0]=4 1326 B8R1.5 O=C1NCCNC1=O MCULE-5492631108 [0,0,0,0,0,1|3,0,0]=4 1327 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [0,0,0,0,0,1|2,0,0]=3 1328 B8R1.5 O=C1OCCC=C1Br MCULE-6619697801 [0,0,0,0,0,1|2,0,0]=3 1329 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [0,0,0,0,0,1|2,0,0]=3 1330 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [0,0,0,0,0,1|2,0,0]=3 1331 B8R1.5 [C@@H]1(CCOC[C@@H]1O)N MCULE-2201413833 [0,0,0,0,0,1|1,0,2]=4 1332 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-3291339796 [0,0,0,0,0,1|1,0,2]=4 1333 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-5641035715 [0,0,0,0,0,1|1,0,2]=4 1334 B8R1.5 [C@H]1(COCC[C@H]1N)C MCULE-2786096186 [0,0,0,0,0,1|2,0,1]=4 1335 B8R1.5 [C@H]1(COCC[C@H]1N)C MCULE-3516272365 [0,0,0,0,0,1|2,0,1]=4 1336 B8R1.5 [C@H]1(COCC[C@H]1N)O MCULE-2088495989 [0,0,0,0,0,1|1,0,2]=4 1337 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,0,1,0,0,0|1,0,1]=4 1338 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,1,0,0,0|1,0,1]=4 1339 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,1,0,0,0|1,0,1]=4 1340 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,1,0,0,0|2,0,0]=4 1341 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,1,0,0,0|2,0,0]=4 1342 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,0,1,0,0,0|2,0,0]=4 1343 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,1,0,0,0|1,0,1]=4 1344 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,1,0,0,0|2,0,0]=4 1345 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,1,0,0,0|2,0,0]=4 1346 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,1,0,0,0|2,0,0]=4 1347 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,1,0,0,0|2,0,0]=4 1348 B5R0.1 CC(N)CCO MCULE-1771399942 [1,0,1,0,0,0|1,0,1]=4 1349 B5R0.1 CC(N)CCO MCULE-7239872808 [1,0,1,0,0,0|1,0,1]=4 1350 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,1,0,0,0|1,0,1]=4 1351 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,1,0,0,0|1,0,1]=4 1352 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,1,0,0,0|2,0,0]=4 1353 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,1,0,0,0|2,0,0]=4 1354 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,1,0,0,0|2,0,0]=4 1355 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,1,0,0,0|2,0,0]=4 1356 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,1,0,0,0|1,0,0]=3 1357 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,1,0,0,0|1,0,0]=3 1358 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,1,0,0,0|1,0,1]=4 1359 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,1,0,0,0|1,0,1]=4 1360 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,1,0,0,0|1,1,0]=4 1361 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,1,0,0,0|1,1,0]=4 1362 B5R0.1 CCNC(=N)N MCULE-4729418155 [1,0,1,0,0,0|2,0,0]=4 1363 B5R0.1 CCNC(=N)N MCULE-5123343071 [1,0,1,0,0,0|2,0,0]=4 1364 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,1,0,0,0|1,0,0]=3 1365 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,1,0,0,0|1,0,0]=3 1366 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,1,0,0,0|1,0,0]=3 1367 B5R0.1 CCNC(=S)N MCULE-3849517146 [1,0,1,0,0,0|1,1,0]=4 1368 B5R0.1 CCOC(=N)C MCULE-3060267072 [1,0,1,0,0,0|1,0,1]=4 1369 B5R0.1 CCOC(=N)C MCULE-3943786182 [1,0,1,0,0,0|1,0,1]=4 1370 B5R0.1 CCOC(=N)N MCULE-3570858508 [1,0,1,0,0,0|1,0,0]=3 1371 B5R0.1 CCOC(=N)N MCULE-6061063856 [1,0,1,0,0,0|1,0,0]=3 1372 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,1,0,0,0|1,0,0]=3 1373 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,1,0,0,0|1,0,0]=3 1374 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,1,0,0,0|0,0,0]=2 1375 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,0,1,0,0,0|1,1,0]=4 1376 B5R0.1 CCOC(=S)N MCULE-4649285010 [1,0,1,0,0,0|0,1,0]=3 1377 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [1,0,1,0,0,0|1,1,0]=4 1378 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [1,0,1,0,0,0|1,1,0]=4 1379 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [1,0,1,0,0,0|1,1,0]=4 1380 B5R0.1 CCSC(=N)N MCULE-2161729152 [1,0,1,0,0,0|1,1,0]=4 1381 B5R0.1 CCSC(=N)N MCULE-2547252984 [1,0,1,0,0,0|1,1,0]=4 1382 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,1,0,0,0|1,1,0]=4 1383 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [1,0,1,0,0,0|2,0,0]=4 1384 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [1,0,1,0,0,0|1,0,1]=4 1385 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [1,0,1,0,0,0|1,0,1]=4 1386 B5R0.1 CN(C)CCO MCULE-5715813465 [1,0,1,0,0,0|1,0,1]=4 1387 B5R0.1 CN(C)CCO MCULE-7567469160 [1,0,1,0,0,0|1,0,1]=4 1388 B5R0.1 CN(C)CCO MCULE-9024108074 [1,0,1,0,0,0|1,0,1]=4 1389 B5R0.1 CN(N)CCN MCULE-2782966878 [1,0,1,0,0,0|1,0,1]=4 1390 B5R0.1 CN=CN(C)C MCULE-2522407175 [1,0,1,0,0,0|2,0,0]=4 1391 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,1,0,0,0|2,0,0]=4 1392 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,1,0,0,0|2,0,0]=4 1393 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,1,0,0,0|2,0,0]=4 1394 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,1,0,0,0|2,0,0]=4 1395 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,1,0,0,0|2,0,0]=4 1396 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,1,0,0,0|2,0,0]=4 1397 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,1,0,0,0|2,0,0]=4 1398 B5R0.1 COC=C(C)C MCULE-6348538911 [1,0,1,0,0,0|2,0,0]=4 1399 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,1,0,0,0|2,0,0]=4 1400 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,1,0,0,0|2,0,0]=4 1401 B5R0.1 COCC(C)N MCULE-1896873634 [1,0,1,0,0,0|1,0,1]=4 1402 B5R0.1 COCC(C)N MCULE-2549420211 [1,0,1,0,0,0|1,0,1]=4 1403 B5R0.1 COCC(C)N MCULE-3490410444 [1,0,1,0,0,0|1,0,1]=4 1404 B5R0.1 COCC(C)N MCULE-7089888882 [1,0,1,0,0,0|1,0,1]=4 1405 B5R0.1 COCN(C)C MCULE-1963225930 [1,0,1,0,0,0|1,0,1]=4 1406 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [1,0,1,0,0,0|1,0,1]=4 1407 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [1,0,1,0,0,0|1,0,1]=4 1408 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [1,0,1,0,0,0|1,0,1]=4 1409 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [1,0,1,0,0,0|1,0,1]=4 1410 B5R0.1 COC[C@H](C)N MCULE-2465679418 [1,0,1,0,0,0|1,0,1]=4 1411 B5R0.1 COC[C@H](C)N MCULE-2998593539 [1,0,1,0,0,0|1,0,1]=4 1412 B5R0.1 COC[C@H](C)N MCULE-3161045661 [1,0,1,0,0,0|1,0,1]=4 1413 B5R0.1 COC[C@H](C)N MCULE-9550165578 [1,0,1,0,0,0|1,0,1]=4 1414 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,1,0,0,0|2,0,0]=4 1415 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,1,0,0,0|2,0,0]=4 1416 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,1,0,0,0|2,0,0]=4 1417 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,1,0,0,0|2,0,0]=4 1418 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,1,0,0,0|2,0,0]=4 1419 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,1,0,0,0|2,0,0]=4 1420 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,0,1,0,0,0|1,0,1]=4 1421 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,0,1,0,0,0|1,0,1]=4 1422 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,0,1,0,0,0|1,0,1]=4 1423 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,0,1,0,0,0|1,0,1]=4 1424 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,0,1,0,0,0|1,0,1]=4 1425 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,0,1,0,0,0|1,0,1]=4 1426 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,1,0,0,0|2,0,0]=4 1427 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,0,1,0,0,0|2,0,0]=4 1428 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,0,1,0,0,0|2,0,0]=4 1429 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,1,0,0,0|2,0,0]=4 1430 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,1,0,0,0|2,0,0]=4 1431 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,1,0,0,0|1,0,0]=3 1432 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,1,0,0,0|1,1,0]=4 1433 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,1,0,0,0|2,0,0]=4 1434 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,1,0,0,0|2,0,0]=4 1435 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,1,0,0,0|2,0,0]=4 1436 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,1,0,0,0|2,0,0]=4 1437 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,1,0,0,0|2,0,0]=4 1438 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,1,0,0,0|2,0,0]=4 1439 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [1,0,1,0,0,0|2,0,0]=4 1440 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,1,0,0,0|2,0,0]=4 1441 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,1,0,0,0|2,0,0]=4 1442 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,1,0,0,0|2,0,0]=4 1443 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,1,0,0,0|2,0,0]=4 1444 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,1,0,0,0|2,0,0]=4 1445 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,1,0,0,0|2,0,0]=4 1446 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,1,0,0,0|2,0,0]=4 1447 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,0,1,0,0,0|1,0,1]=4 1448 B5R0.1 [NH+](=CN(C)C)C MCULE-8771175095 [1,0,1,0,0,0|2,0,0]=4 1449 B5R0.2 C#CCCC=O MCULE-9994552907 [1,0,1,0,0,0|2,0,0]=4 1450 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,0,1,0,0,0|2,0,0]=4 1451 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,0,1,0,0,0|2,0,0]=4 1452 B5R0.2 C=CCCC=O MCULE-7850336174 [1,0,1,0,0,0|2,0,0]=4 1453 B5R0.2 C=CCCCN MCULE-5787926547 [1,0,1,0,0,0|2,0,0]=4 1454 B5R0.2 C=CCCCN MCULE-7346989227 [1,0,1,0,0,0|2,0,0]=4 1455 B5R0.2 C=CCCCO MCULE-5946342321 [1,0,1,0,0,0|2,0,0]=4 1456 B5R0.2 C=CCCNC MCULE-2124263362 [1,0,1,0,0,0|2,0,0]=4 1457 B5R0.2 C=CCCNC MCULE-5024925990 [1,0,1,0,0,0|2,0,0]=4 1458 B5R0.2 C=CCCON MCULE-3476228435 [1,0,1,0,0,0|2,0,0]=4 1459 B5R0.2 C=CCCON MCULE-9206052895 [1,0,1,0,0,0|2,0,0]=4 1460 B5R0.2 C=CCNC=O MCULE-1911798514 [1,0,1,0,0,0|1,0,1]=4 1461 B5R0.2 C=CCOC=O MCULE-4161785970 [1,0,1,0,0,0|1,0,1]=4 1462 B5R0.2 C=COCCC MCULE-4423853666 [1,0,1,0,0,0|2,0,0]=4 1463 B5R0.2 C=COCCCl MCULE-7782311030 [1,0,1,0,0,0|2,0,0]=4 1464 B5R0.2 C=COCCN MCULE-8052872924 [1,0,1,0,0,0|1,0,0]=3 1465 B5R0.2 C=COCCN MCULE-8496820259 [1,0,1,0,0,0|1,0,0]=3 1466 B5R0.2 C=COCCO MCULE-9383372818 [1,0,1,0,0,0|2,0,0]=4 1467 B5R0.2 CC=CCCN MCULE-5129102475 [1,0,1,0,0,0|2,0,0]=4 1468 B5R0.2 CC=CCCN MCULE-8500001929 [1,0,1,0,0,0|2,0,0]=4 1469 B5R0.2 CC=CCCO MCULE-4302367089 [1,0,1,0,0,0|2,0,0]=4 1470 B5R0.2 CC=COCC MCULE-1473170404 [1,0,1,0,0,0|2,0,0]=4 1471 B5R0.2 CCCCC=O MCULE-4736782822 [1,0,1,0,0,0|2,0,0]=4 1472 B5R0.2 CCCCNN MCULE-6681305566 [1,0,1,0,0,0|1,0,1]=4 1473 B5R0.2 CCCCNN MCULE-6890760890 [1,0,1,0,0,0|1,0,1]=4 1474 B5R0.2 CCCCNN MCULE-7362497327 [1,0,1,0,0,0|1,0,1]=4 1475 B5R0.2 CCCCNN MCULE-8463623644 [1,0,1,0,0,0|1,0,1]=4 1476 B5R0.2 CCCNC=O MCULE-6344556391 [1,0,1,0,0,0|1,0,0]=3 1477 B5R0.2 CCCOC=O MCULE-3133604529 [1,0,1,0,0,0|1,0,0]=3 1478 B5R0.2 CCNCCO MCULE-2537734730 [1,0,1,0,0,0|1,0,1]=4 1479 B5R0.2 CCNCCO MCULE-3738714907 [1,0,1,0,0,0|1,0,1]=4 1480 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,0,1,0,0,0|2,0,0]=4 1481 B5R0.2 CCOC=CBr MCULE-5241125671 [1,0,1,0,0,0|2,0,0]=4 1482 B5R0.2 CCOCCN MCULE-1254431240 [1,0,1,0,0,0|1,0,1]=4 1483 B5R0.2 CCOCCN MCULE-4039110889 [1,0,1,0,0,0|1,0,1]=4 1484 B5R0.2 CCOCCN MCULE-4400456933 [1,0,1,0,0,0|1,0,1]=4 1485 B5R0.2 CNCCOC MCULE-2857904484 [1,0,1,0,0,0|1,0,1]=4 1486 B5R0.2 CNCCOC MCULE-5342712496 [1,0,1,0,0,0|1,0,1]=4 1487 B5R0.2 CNOCCN MCULE-3163962093 [1,0,1,0,0,0|2,0,0]=4 1488 B5R0.2 CNOCCN MCULE-7379538500 [1,0,1,0,0,0|2,0,0]=4 1489 B5R0.2 COCCC=O MCULE-2812117208 [1,0,1,0,0,0|2,0,0]=4 1490 B5R0.2 COCCCN MCULE-1421362990 [1,0,1,0,0,0|1,0,1]=4 1491 B5R0.2 COCCCN MCULE-4783132205 [1,0,1,0,0,0|1,0,1]=4 1492 B5R0.2 COCCNN MCULE-2086510453 [1,0,1,0,0,0|0,0,1]=3 1493 B5R0.2 COCCNN MCULE-4830987822 [1,0,1,0,0,0|0,0,1]=3 1494 B5R0.2 COCCNN MCULE-8361975855 [1,0,1,0,0,0|0,0,1]=3 1495 B5R0.2 COCCON MCULE-3507489398 [1,0,1,0,0,0|1,0,1]=4 1496 B5R0.2 COCCON MCULE-8506879697 [1,0,1,0,0,0|1,0,1]=4 1497 B5R0.2 CONCCO MCULE-9787830121 [1,0,1,0,0,0|2,0,0]=4 1498 B5R0.2 CSCCC=O MCULE-6273241704 [1,0,1,0,0,0|2,0,0]=4 1499 B5R0.2 N#CCCC=O MCULE-9521735106 [1,0,1,0,0,0|1,0,1]=4 1500 B5R0.2 N#CCCNN MCULE-2873114425 [1,0,1,0,0,0|1,0,1]=4 1501 B5R0.2 N#CCOC=O MCULE-4453241991 [1,0,1,0,0,0|0,0,2]=4 1502 B5R0.2 NCCCNN MCULE-7657257572 [1,0,1,0,0,0|1,0,1]=4 1503 B5R0.2 NCCCON MCULE-1071170242 [1,0,1,0,0,0|2,0,0]=4 1504 B5R0.2 NCCCON MCULE-7767315563 [1,0,1,0,0,0|2,0,0]=4 1505 B5R0.2 NNCCCO MCULE-5557482626 [1,0,1,0,0,0|0,0,2]=4 1506 B5R0.2 NNCCCO MCULE-7351853032 [1,0,1,0,0,0|0,0,2]=4 1507 B5R0.2 NNCCCO MCULE-7919314403 [1,0,1,0,0,0|0,0,2]=4 1508 B5R0.2 NOCCON MCULE-2027662613 [1,0,1,0,0,0|2,0,0]=4 1509 B5R0.2 NOCCON MCULE-3458073239 [1,0,1,0,0,0|2,0,0]=4 1510 B5R0.2 O=CCCC=O MCULE-3362810468 [1,0,1,0,0,0|2,0,0]=4 1511 B5R0.2 O=CCCC=O MCULE-3813951568 [1,0,1,0,0,0|2,0,0]=4 1512 B5R0.2 O=CCCCBr MCULE-7239613396 [1,0,1,0,0,0|2,0,0]=4 1513 B5R0.2 O=CCCCCl MCULE-3011225716 [1,0,1,0,0,0|2,0,0]=4 1514 B5R0.2 O=CCCCI MCULE-3153720790 [1,0,1,0,0,0|2,0,0]=4 1515 B5R0.2 O=CCCCO MCULE-8728420992 [1,0,1,0,0,0|1,0,0]=3 1516 B5R0.2 O=CNCCO MCULE-3688614090 [1,0,1,0,0,0|0,0,0]=2 1517 B5R0.2 O=COCCO MCULE-1922672843 [1,0,1,0,0,0|1,0,0]=3 1518 B5R0.2 OCCNCO MCULE-2141033453 [1,0,1,0,0,0|0,0,2]=4 1519 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,0,1,0,0,0|2,0,0]=4 1520 B5R0.3 C#CC(=O)NC MCULE-8852565705 [1,0,1,0,0,0|1,0,1]=4 1521 B5R0.3 C#CC(=O)OC MCULE-5108326717 [1,0,1,0,0,0|1,0,1]=4 1522 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,0,1,0,0,0|2,0,0]=4 1523 B5R0.3 C=C(CC)CN MCULE-2269385026 [1,0,1,0,0,0|2,0,0]=4 1524 B5R0.3 C=C(CC)CN MCULE-3033447984 [1,0,1,0,0,0|2,0,0]=4 1525 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,0,1,0,0,0|2,0,0]=4 1526 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,0,1,0,0,0|1,0,1]=4 1527 B5R0.3 C=CC(=O)NN MCULE-4327484127 [1,0,1,0,0,0|0,0,2]=4 1528 B5R0.3 C=CC(=O)NN MCULE-4961696321 [1,0,1,0,0,0|0,0,2]=4 1529 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,0,1,0,0,0|1,0,1]=4 1530 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,0,1,0,0,0|2,0,0]=4 1531 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,0,1,0,0,0|2,0,0]=4 1532 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,0,1,0,0,0|2,0,0]=4 1533 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,0,1,0,0,0|2,0,0]=4 1534 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,0,1,0,0,0|2,0,0]=4 1535 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,0,1,0,0,0|2,0,0]=4 1536 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,0,1,0,0,0|2,0,0]=4 1537 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,0,1,0,0,0|2,0,0]=4 1538 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,0,1,0,0,0|2,0,0]=4 1539 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,0,1,0,0,0|2,0,0]=4 1540 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,0,1,0,0,0|2,0,0]=4 1541 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,0,1,0,0,0|2,0,0]=4 1542 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,0,1,0,0,0|2,0,0]=4 1543 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,0,1,0,0,0|2,0,0]=4 1544 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,0,1,0,0,0|2,0,0]=4 1545 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,0,1,0,0,0|2,0,0]=4 1546 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,0,1,0,0,0|2,0,0]=4 1547 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,0,1,0,0,0|2,0,0]=4 1548 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,0,1,0,0,0|2,0,0]=4 1549 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,0,1,0,0,0|2,0,0]=4 1550 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,0,1,0,0,0|2,0,0]=4 1551 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,0,1,0,0,0|1,0,0]=3 1552 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,0,1,0,0,0|1,0,0]=3 1553 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,0,1,0,0,0|2,0,0]=4 1554 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,0,1,0,0,0|1,0,0]=3 1555 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,0,1,0,0,0|0,0,0]=2 1556 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,0,1,0,0,0|1,0,0]=3 1557 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,0,1,0,0,0|1,0,0]=3 1558 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,0,1,0,0,0|1,1,0]=4 1559 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,0,1,0,0,0|2,0,0]=4 1560 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,0,1,0,0,0|2,0,0]=4 1561 B5R0.3 CCC(C)NN MCULE-6074476998 [1,0,1,0,0,0|1,0,1]=4 1562 B5R0.3 CCC(C)NN MCULE-8130021960 [1,0,1,0,0,0|1,0,1]=4 1563 B5R0.3 CCC(C)NN MCULE-8519369369 [1,0,1,0,0,0|1,0,1]=4 1564 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,0,1,0,0,0|2,0,0]=4 1565 B5R0.3 CCC(N)CO MCULE-1135809021 [1,0,1,0,0,0|1,0,1]=4 1566 B5R0.3 CCC(N)CO MCULE-7588854111 [1,0,1,0,0,0|1,0,1]=4 1567 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,0,1,0,0,0|1,0,0]=3 1568 B5R0.3 CCN(N)CC MCULE-9853386945 [1,0,1,0,0,0|1,0,1]=4 1569 B5R0.3 CCN(N)CC MCULE-9962617398 [1,0,1,0,0,0|1,0,1]=4 1570 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [1,0,1,0,0,0|1,0,1]=4 1571 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [1,0,1,0,0,0|1,0,1]=4 1572 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [1,0,1,0,0,0|1,0,1]=4 1573 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [1,0,1,0,0,0|1,0,1]=4 1574 B5R0.3 CNC(=N)NC MCULE-7703075263 [1,0,1,0,0,0|2,0,0]=4 1575 B5R0.3 CNC(=N)NN MCULE-4836793349 [1,0,1,0,0,0|2,0,0]=4 1576 B5R0.3 CNC(=N)NN MCULE-5998297944 [1,0,1,0,0,0|2,0,0]=4 1577 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,0,1,0,0,0|2,0,0]=4 1578 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,0,1,0,0,0|2,0,0]=4 1579 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,0,1,0,0,0|2,0,0]=4 1580 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,0,1,0,0,0|2,0,0]=4 1581 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,0,1,0,0,0|2,0,0]=4 1582 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,0,1,0,0,0|2,0,0]=4 1583 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,0,1,0,0,0|2,0,0]=4 1584 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,0,1,0,0,0|1,0,0]=3 1585 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,0,1,0,0,0|1,0,0]=3 1586 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,0,1,0,0,0|0,0,0]=2 1587 B5R0.3 CNC(=S)NC MCULE-7998520647 [1,0,1,0,0,0|1,1,0]=4 1588 B5R0.3 CNC(=S)NN MCULE-3762018607 [1,0,1,0,0,0|1,1,0]=4 1589 B5R0.3 COC(=O)C#N MCULE-8762838190 [1,0,1,0,0,0|1,0,1]=4 1590 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,0,1,0,0,0|2,0,0]=4 1591 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,0,1,0,0,0|2,0,0]=4 1592 B5R0.3 COC(=O)CCl MCULE-5886832940 [1,0,1,0,0,0|2,0,0]=4 1593 B5R0.3 COC(=O)CF MCULE-4367430175 [1,0,1,0,0,0|2,0,0]=4 1594 B5R0.3 COC(=O)CI MCULE-9545584156 [1,0,1,0,0,0|2,0,0]=4 1595 B5R0.3 COC(=O)CN MCULE-7462799100 [1,0,1,0,0,0|1,0,0]=3 1596 B5R0.3 COC(=O)CN MCULE-8887061469 [1,0,1,0,0,0|1,0,0]=3 1597 B5R0.3 COC(=O)CO MCULE-8734582763 [1,0,1,0,0,0|2,0,0]=4 1598 B5R0.3 COC(=O)CS MCULE-3020830180 [1,0,1,0,0,0|2,0,0]=4 1599 B5R0.3 COC(=O)NN MCULE-2637794839 [1,0,1,0,0,0|0,0,0]=2 1600 B5R0.3 COC(=O)OC MCULE-7488725621 [1,0,1,0,0,0|1,0,0]=3 1601 B5R0.3 COC(=O)SCl MCULE-1018411491 [1,0,1,0,0,0|2,0,0]=4 1602 B5R0.3 COC(=S)NN MCULE-8717505617 [1,0,1,0,0,0|0,1,0]=3 1603 B5R0.3 COC(=S)SC MCULE-7665194168 [1,0,1,0,0,0|1,1,0]=4 1604 B5R0.3 CON(C)C=O MCULE-6743121315 [1,0,1,0,0,0|2,0,0]=4 1605 B5R0.3 COS(=O)OC MCULE-9352053920 [1,0,1,0,0,0|2,0,0]=4 1606 B5R0.3 CSC(=O)SC MCULE-7167992573 [1,0,1,0,0,0|1,1,0]=4 1607 B5R0.3 CSC(=S)NN MCULE-2798461411 [1,0,1,0,0,0|0,2,0]=4 1608 B5R0.3 NCC(=O)CN MCULE-2420991481 [1,0,1,0,0,0|2,0,0]=4 1609 B5R0.3 NCC(=O)CN MCULE-8626789745 [1,0,1,0,0,0|2,0,0]=4 1610 B5R0.3 NCC(=O)NN MCULE-2318099199 [1,0,1,0,0,0|1,0,0]=3 1611 B5R0.3 NCC(=O)NN MCULE-3392354502 [1,0,1,0,0,0|1,0,0]=3 1612 B5R0.3 NCC(=O)NO MCULE-5417617455 [1,0,1,0,0,0|2,0,0]=4 1613 B5R0.3 NNC(=O)CCl MCULE-2158347473 [1,0,1,0,0,0|1,0,0]=3 1614 B5R0.3 NNC(=O)CCl MCULE-9762553206 [1,0,1,0,0,0|1,0,0]=3 1615 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,0,1,0,0,0|1,0,0]=3 1616 B5R0.3 NNC(=O)CS MCULE-4913925166 [1,0,1,0,0,0|1,0,0]=3 1617 B5R0.3 NNC(=O)NN MCULE-8522412568 [1,0,1,0,0,0|2,0,0]=4 1618 B5R0.3 NNC(=O)NO MCULE-7106168898 [1,0,1,0,0,0|2,0,0]=4 1619 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,0,1,0,0,0|2,0,0]=4 1620 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,0,1,0,0,0|2,0,0]=4 1621 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,0,1,0,0,0|2,0,0]=4 1622 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,0,1,0,0,0|2,0,0]=4 1623 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,0,1,0,0,0|2,0,0]=4 1624 B5R0.3 P(=O)(OC)OC MCULE-7918891029 [1,0,1,0,0,0|2,0,0]=4 1625 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [1,0,1,0,0,0|2,0,0]=4 1626 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,0,1,0,0,0|2,0,0]=4 1627 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [1,0,1,0,0,0|2,0,0]=4 1628 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,0,1,0,0,0|2,0,0]=4 1629 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,0,1,0,0,0|2,0,0]=4 1630 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [1,0,1,0,0,0|2,0,0]=4 1631 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,0,1,0,0,0|2,0,0]=4 1632 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,0,1,0,0,0|2,0,0]=4 1633 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,0,1,0,0,0|2,0,0]=4 1634 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,0,1,0,0,0|2,0,0]=4 1635 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,0,1,0,0,0|1,0,0]=3 1636 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,0,1,0,0,0|1,0,0]=3 1637 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,0,1,0,0,0|2,0,0]=4 1638 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,0,1,0,0,0|2,0,0]=4 1639 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,0,1,0,0,0|1,0,0]=3 1640 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,0,1,0,0,0|0,0,0]=2 1641 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,0,1,0,0,0|1,0,0]=3 1642 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,0,1,0,0,0|1,0,0]=3 1643 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,0,1,0,0,0|1,0,0]=3 1644 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,0,1,0,0,0|1,0,0]=3 1645 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [1,0,1,0,0,0|1,1,0]=4 1646 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,0,1,0,0,0|2,0,0]=4 1647 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,0,1,0,0,0|2,0,0]=4 1648 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,0,1,0,0,0|2,0,0]=4 1649 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,0,1,0,0,0|2,0,0]=4 1650 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,0,1,0,0,0|2,0,0]=4 1651 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,0,1,0,0,0|2,0,0]=4 1652 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,0,1,0,0,0|2,0,0]=4 1653 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,0,1,0,0,0|2,0,0]=4 1654 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,0,1,0,0,0|2,0,0]=4 1655 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,0,1,0,0,0|2,0,0]=4 1656 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,0,1,0,0,0|2,0,0]=4 1657 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,0,1,0,0,0|2,0,0]=4 1658 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,0,1,0,0,0|1,0,0]=3 1659 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,0,1,0,0,0|1,0,0]=3 1660 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,0,1,0,0,0|1,0,0]=3 1661 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,0,1,0,0,0|1,0,0]=3 1662 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,0,1,0,0,0|2,0,0]=4 1663 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,0,1,0,0,0|2,0,0]=4 1664 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,0,1,0,0,0|2,0,0]=4 1665 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [1,0,1,0,0,0|2,0,0]=4 1666 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,0,1,0,0,0|2,0,0]=4 1667 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,0,1,0,0,0|1,0,0]=3 1668 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [1,0,1,0,0,0|1,0,1]=4 1669 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,0,1,0,0,0|1,0,0]=3 1670 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [1,0,1,0,0,0|1,1,0]=4 1671 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,0,1,0,0,0|2,0,0]=4 1672 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,0,1,0,0,0|2,0,0]=4 1673 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,0,1,0,0,0|2,0,0]=4 1674 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,0,1,0,0,0|2,0,0]=4 1675 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,0,1,0,0,0|2,0,0]=4 1676 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,0,1,0,0,0|2,0,0]=4 1677 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,0,1,0,0,0|2,0,0]=4 1678 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,0,1,0,0,0|2,0,0]=4 1679 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,0,1,0,0,0|1,0,0]=3 1680 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,0,1,0,0,0|1,0,0]=3 1681 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,0,1,0,0,0|2,0,0]=4 1682 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,0,1,0,0,0|2,0,0]=4 1683 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,0,1,0,0,0|2,0,0]=4 1684 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,0,1,0,0,0|2,0,0]=4 1685 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,0,1,0,0,0|2,0,0]=4 1686 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,0,1,0,0,0|2,0,0]=4 1687 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,0,1,0,0,0|2,0,0]=4 1688 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,0,1,0,0,0|2,0,0]=4 1689 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,0,1,0,0,0|2,0,0]=4 1690 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,0,1,0,0,0|2,0,0]=4 1691 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,0,1,0,0,0|2,0,0]=4 1692 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,0,1,0,0,0|2,0,0]=4 1693 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,0,1,0,0,0|2,0,0]=4 1694 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,0,1,0,0,0|2,0,0]=4 1695 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,0,1,0,0,0|1,0,0]=3 1696 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,0,1,0,0,0|1,0,0]=3 1697 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,0,1,0,0,0|1,0,0]=3 1698 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,0,1,0,0,0|1,0,0]=3 1699 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,0,1,0,0,0|2,0,0]=4 1700 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,0,1,0,0,0|2,0,0]=4 1701 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,0,1,0,0,0|2,0,0]=4 1702 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,0,1,0,0,0|2,0,0]=4 1703 B5R1.1 B1CCOO1 MCULE-4859234466 [2,0,0,0,0,0|2,0,0]=4 1704 B5R1.1 C1=CCCC1 MCULE-8785635218 [2,0,0,0,0,0|2,0,0]=4 1705 B5R1.1 C1=COCC1 MCULE-7714726225 [2,0,0,0,0,0|1,0,0]=3 1706 B5R1.1 C1=NCCN1 MCULE-6281004177 [2,0,0,0,0,0|1,0,0]=3 1707 B5R1.1 C1=NNCC1 MCULE-2270087414 [2,0,0,0,0,0|2,0,0]=4 1708 B5R1.1 C1CCNC1 MCULE-2816679267 [2,0,0,0,0,0|1,0,1]=4 1709 B5R1.1 C1CCNC1 MCULE-8439725600 [2,0,0,0,0,0|1,0,1]=4 1710 B5R1.1 C1CCNC1 MCULE-8653165010 [2,0,0,0,0,0|1,0,1]=4 1711 B5R1.1 C1CCNC1 MCULE-9053007443 [2,0,0,0,0,0|1,0,1]=4 1712 B5R1.1 C1CCOC1 MCULE-3873245085 [2,0,0,0,0,0|1,0,1]=4 1713 B5R1.1 C1CNCN1 MCULE-6666768806 [2,0,0,0,0,0|1,0,1]=4 1714 B5R1.1 C1CNNC1 MCULE-9192384720 [2,0,0,0,0,0|2,0,0]=4 1715 B5R1.1 C1CNNC1 MCULE-9418244562 [2,0,0,0,0,0|2,0,0]=4 1716 B5R1.1 C1CNOC1 MCULE-3922840312 [2,0,0,0,0,0|2,0,0]=4 1717 B5R1.1 C1CNOC1 MCULE-6084499894 [2,0,0,0,0,0|2,0,0]=4 1718 B5R1.1 C1COCN1 MCULE-4693733872 [2,0,0,0,0,0|0,0,1]=3 1719 B5R1.1 C1COCO1 MCULE-3967810235 [2,0,0,0,0,0|1,0,1]=4 1720 B5R1.1 C1CSCN1 MCULE-1445529876 [2,0,0,0,0,0|0,1,1]=4 1721 B5R1.1 C1CSCN1 MCULE-8646299838 [2,0,0,0,0,0|0,1,1]=4 1722 B7R0.2 C#CC(=O)OC(C)C MCULE-2260869211 [0,1,1,0,0,0|2,0,0]=4 1723 B7R0.2 C=CC(=O)OC(C)C MCULE-8852781082 [0,1,1,0,0,0|2,0,0]=4 1724 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,1,1,0,0,0|2,0,0]=4 1725 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,1,1,0,0,0|2,0,0]=4 1726 B7R0.2 CC(C)CC(=O)NN MCULE-7719387931 [0,1,1,0,0,0|1,0,0]=3 1727 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [0,1,1,0,0,0|2,0,0]=4 1728 B7R0.2 CC(C)NC(=O)CN MCULE-7188824856 [0,1,1,0,0,0|2,0,0]=4 1729 B7R0.2 CC(C)NC(=O)CN MCULE-8867435369 [0,1,1,0,0,0|2,0,0]=4 1730 B7R0.2 CC(C)NC(=S)NN MCULE-9711818578 [0,1,1,0,0,0|1,1,0]=4 1731 B7R0.2 CC(C)OC(=O)CBr MCULE-1610339208 [0,1,1,0,0,0|2,0,0]=4 1732 B7R0.2 CC(C)OC(=O)CCl MCULE-3017211046 [0,1,1,0,0,0|2,0,0]=4 1733 B7R0.2 CC(C)OC(=O)CN MCULE-4475626262 [0,1,1,0,0,0|1,0,0]=3 1734 B7R0.2 CC(C)OC(=O)CN MCULE-5696337645 [0,1,1,0,0,0|1,0,0]=3 1735 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [0,1,1,0,0,0|2,0,0]=4 1736 B7R0.2 CC(C)OC(=O)CS MCULE-5298940210 [0,1,1,0,0,0|2,0,0]=4 1737 B7R0.2 CC(C)OC(=O)NN MCULE-5311288998 [0,1,1,0,0,0|0,0,0]=2 1738 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [0,1,1,0,0,0|1,0,0]=3 1739 B7R0.2 CCC(=O)OC(C)C MCULE-6546381101 [0,1,1,0,0,0|2,0,0]=4 1740 B7R0.2 CN(C)CC(=O)NN MCULE-4271340398 [0,1,1,0,0,0|2,0,0]=4 1741 B7R0.2 CN(C)CC(=O)NN MCULE-8010840162 [0,1,1,0,0,0|2,0,0]=4 1742 B7R0.2 CN(C)CC(=O)NN MCULE-9920503081 [0,1,1,0,0,0|2,0,0]=4 1743 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,1,0,0,0|1,0,1]=4 1744 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,1,1,0,0,0|2,0,0]=4 1745 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,1,1,0,0,0|2,0,0]=4 1746 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,1,1,0,0,0|2,0,0]=4 1747 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [0,1,1,0,0,0|2,0,0]=4 1748 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,1,1,0,0,0|1,0,1]=4 1749 B7R0.3 C=CC(=O)OCCBr MCULE-3258133915 [0,1,1,0,0,0|2,0,0]=4 1750 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [0,1,1,0,0,0|2,0,0]=4 1751 B7R0.3 C=CC(=O)OCCCl MCULE-6902160724 [0,1,1,0,0,0|2,0,0]=4 1752 B7R0.3 C=CC(=O)OCCF MCULE-6798260659 [0,1,1,0,0,0|2,0,0]=4 1753 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [0,1,1,0,0,0|2,0,0]=4 1754 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [0,1,1,0,0,0|2,0,0]=4 1755 B7R0.3 C=CCCC(=O)NN MCULE-1170308182 [0,1,1,0,0,0|1,0,1]=4 1756 B7R0.3 C=CCOC(=O)CN MCULE-2053601318 [0,1,1,0,0,0|1,0,1]=4 1757 B7R0.3 C=CCOC(=O)CN MCULE-8513191813 [0,1,1,0,0,0|1,0,1]=4 1758 B7R0.3 CCC(=O)OCCCl MCULE-7825392065 [0,1,1,0,0,0|2,0,0]=4 1759 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [0,1,1,0,0,0|2,0,0]=4 1760 B7R0.3 CCC(=O)OCOC MCULE-8101176829 [0,1,1,0,0,0|2,0,0]=4 1761 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [0,1,1,0,0,0|2,0,0]=4 1762 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [0,1,1,0,0,0|1,0,0]=3 1763 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [0,1,1,0,0,0|2,0,0]=4 1764 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [0,1,1,0,0,0|2,0,0]=4 1765 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [0,1,1,0,0,0|1,0,0]=3 1766 B7R0.3 CCCNC(=S)NN MCULE-3677693813 [0,1,1,0,0,0|1,1,0]=4 1767 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [0,1,1,0,0,0|2,0,0]=4 1768 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [0,1,1,0,0,0|2,0,0]=4 1769 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [0,1,1,0,0,0|2,0,0]=4 1770 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [0,1,1,0,0,0|1,0,0]=3 1771 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [0,1,1,0,0,0|1,0,0]=3 1772 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [0,1,1,0,0,0|2,0,0]=4 1773 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,1,1,0,0,0|2,0,0]=4 1774 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [0,1,1,0,0,0|2,0,0]=4 1775 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [0,1,1,0,0,0|2,0,0]=4 1776 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [0,1,1,0,0,0|0,0,0]=2 1777 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [0,1,1,0,0,0|0,0,0]=2 1778 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [0,1,1,0,0,0|2,0,0]=4 1779 B7R0.3 CCONC(=O)CN MCULE-8014418978 [0,1,1,0,0,0|1,0,0]=3 1780 B7R0.3 CCONC(=O)CN MCULE-9229677559 [0,1,1,0,0,0|1,0,0]=3 1781 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [0,1,1,0,0,0|0,1,0]=3 1782 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [0,1,1,0,0,0|2,0,0]=4 1783 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [0,1,1,0,0,0|2,0,0]=4 1784 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [0,1,1,0,0,0|2,0,0]=4 1785 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [0,1,1,0,0,0|2,0,0]=4 1786 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [0,1,1,0,0,0|2,0,0]=4 1787 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [0,1,1,0,0,0|2,0,0]=4 1788 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [0,1,1,0,0,0|2,0,0]=4 1789 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [0,1,1,0,0,0|2,0,0]=4 1790 B7R0.3 CNC(=O)OCCCl MCULE-9946450406 [0,1,1,0,0,0|1,0,0]=3 1791 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [0,1,1,0,0,0|1,0,0]=3 1792 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [0,1,1,0,0,0|2,0,0]=4 1793 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [0,1,1,0,0,0|2,0,0]=4 1794 B7R0.3 COCCC(=O)NN MCULE-6895114863 [0,1,1,0,0,0|1,0,0]=3 1795 B7R0.3 NCC(=O)NCCF MCULE-1969796129 [0,1,1,0,0,0|2,0,0]=4 1796 B7R0.3 NCC(=O)NCCF MCULE-9924478230 [0,1,1,0,0,0|2,0,0]=4 1797 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [0,1,1,0,0,0|2,0,0]=4 1798 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [0,1,1,0,0,0|2,0,0]=4 1799 B7R0.3 NCC(=O)OCCCl MCULE-7924059164 [0,1,1,0,0,0|1,0,0]=3 1800 B7R0.3 NCC(=O)OCCCl MCULE-9260214783 [0,1,1,0,0,0|1,0,0]=3 1801 B7R0.3 NNC(=O)CCCCl MCULE-9370062145 [0,1,1,0,0,0|1,0,0]=3 1802 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [0,1,1,0,0,0|1,0,0]=3 1803 B7R0.3 NNC(=O)OCCCl MCULE-1796161427 [0,1,1,0,0,0|0,0,0]=2 1804 B7R0.3 NNC(=O)OCCCl MCULE-3977269565 [0,1,1,0,0,0|0,0,0]=2 1805 B7R0.3 NNC(=O)OCCO MCULE-9375766063 [0,1,1,0,0,0|0,0,0]=2 1806 B7R0.3 O=C(CCl)OCCCl MCULE-7706105725 [0,1,1,0,0,0|2,0,0]=4 1807 B7R0.5 C=C(Br)C(=O)OCC MCULE-3441307956 [0,1,1,0,0,0|2,0,0]=4 1808 B7R0.5 C=C(C)C(=O)OCC MCULE-9496497565 [0,1,1,0,0,0|2,0,0]=4 1809 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,1,1,0,0,0|2,0,0]=4 1810 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,1,1,0,0,0|2,0,0]=4 1811 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,1,1,0,0,0|2,0,0]=4 1812 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [0,1,1,0,0,0|2,0,0]=4 1813 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [0,1,1,0,0,0|2,0,0]=4 1814 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [0,1,1,0,0,0|1,0,0]=3 1815 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,1,1,0,0,0|2,0,0]=4 1816 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,1,1,0,0,0|2,0,0]=4 1817 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,1,1,0,0,0|2,0,0]=4 1818 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,1,1,0,0,0|2,0,0]=4 1819 B7R0.5 CCCC(=O)N(C)C MCULE-8154537620 [0,1,1,0,0,0|2,0,0]=4 1820 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,1,1,0,0,0|2,0,0]=4 1821 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,1,1,0,0,0|2,0,0]=4 1822 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,1,1,0,0,0|2,0,0]=4 1823 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,1,1,0,0,0|2,0,0]=4 1824 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,1,1,0,0,0|2,0,0]=4 1825 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [0,1,1,0,0,0|2,0,0]=4 1826 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,1,1,0,0,0|2,0,0]=4 1827 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,1,1,0,0,0|2,0,0]=4 1828 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,1,1,0,0,0|2,0,0]=4 1829 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,1,1,0,0,0|2,0,0]=4 1830 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,1,1,0,0,0|2,0,0]=4 1831 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,1,1,0,0,0|2,0,0]=4 1832 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,1,1,0,0,0|2,0,0]=4 1833 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,1,1,0,0,0|2,0,0]=4 1834 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,1,1,0,0,0|2,0,0]=4 1835 B7R0.5 CCNC(=O)C(C)N MCULE-7767946644 [0,1,1,0,0,0|2,0,0]=4 1836 B7R0.5 CCNC(=O)C(C)N MCULE-8324775088 [0,1,1,0,0,0|2,0,0]=4 1837 B7R0.5 CCNC(=O)C(C)N MCULE-9028977052 [0,1,1,0,0,0|2,0,0]=4 1838 B7R0.5 CCNC(=O)N(C)N MCULE-4378383472 [0,1,1,0,0,0|1,0,0]=3 1839 B7R0.5 CCNC(=O)[C@H](C)N MCULE-1043080386 [0,1,1,0,0,0|2,0,0]=4 1840 B7R0.5 CCNC(=S)N(C)N MCULE-5791702760 [0,1,1,0,0,0|1,1,0]=4 1841 B7R0.5 CCOC(=O)C(=N)N MCULE-4853735680 [0,1,1,0,0,0|1,0,0]=3 1842 B7R0.5 CCOC(=O)C(=N)N MCULE-9212797796 [0,1,1,0,0,0|1,0,0]=3 1843 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,1,1,0,0,0|2,0,0]=4 1844 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [0,1,1,0,0,0|2,0,0]=4 1845 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,1,1,0,0,0|1,0,0]=3 1846 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,1,1,0,0,0|2,0,0]=4 1847 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [0,1,1,0,0,0|2,0,0]=4 1848 B7R0.5 CCOC(=O)C(=S)N MCULE-3285821799 [0,1,1,0,0,0|1,0,0]=3 1849 B7R0.5 CCOC(=O)C(Br)Br MCULE-8701615311 [0,1,1,0,0,0|2,0,0]=4 1850 B7R0.5 CCOC(=O)C(C)Br MCULE-3184697988 [0,1,1,0,0,0|2,0,0]=4 1851 B7R0.5 CCOC(=O)C(C)C MCULE-7190269066 [0,1,1,0,0,0|2,0,0]=4 1852 B7R0.5 CCOC(=O)C(C)Cl MCULE-8192833024 [0,1,1,0,0,0|2,0,0]=4 1853 B7R0.5 CCOC(=O)C(C)F MCULE-5743308430 [0,1,1,0,0,0|2,0,0]=4 1854 B7R0.5 CCOC(=O)C(C)I MCULE-5895787216 [0,1,1,0,0,0|2,0,0]=4 1855 B7R0.5 CCOC(=O)C(C)N MCULE-1694144423 [0,1,1,0,0,0|1,0,0]=3 1856 B7R0.5 CCOC(=O)C(C)N MCULE-4073874506 [0,1,1,0,0,0|1,0,0]=3 1857 B7R0.5 CCOC(=O)C(C)N MCULE-4082731166 [0,1,1,0,0,0|1,0,0]=3 1858 B7R0.5 CCOC(=O)C(C)N MCULE-5175870607 [0,1,1,0,0,0|1,0,0]=3 1859 B7R0.5 CCOC(=O)C(C)O MCULE-8057202883 [0,1,1,0,0,0|2,0,0]=4 1860 B7R0.5 CCOC(=O)C(C)O MCULE-9679398205 [0,1,1,0,0,0|2,0,0]=4 1861 B7R0.5 CCOC(=O)C(C)S MCULE-7890942953 [0,1,1,0,0,0|2,0,0]=4 1862 B7R0.5 CCOC(=O)C(Cl)Cl MCULE-3838429635 [0,1,1,0,0,0|2,0,0]=4 1863 B7R0.5 CCOC(=O)C(F)Br MCULE-5661791694 [0,1,1,0,0,0|2,0,0]=4 1864 B7R0.5 CCOC(=O)C(F)Cl MCULE-4260692293 [0,1,1,0,0,0|2,0,0]=4 1865 B7R0.5 CCOC(=O)C(F)F MCULE-6388513707 [0,1,1,0,0,0|2,0,0]=4 1866 B7R0.5 CCOC(=O)C(F)I MCULE-4681224874 [0,1,1,0,0,0|2,0,0]=4 1867 B7R0.5 CCOC(=O)N(C)C MCULE-8344568471 [0,1,1,0,0,0|1,0,0]=3 1868 B7R0.5 CCOC(=O)N(C)N MCULE-3043289486 [0,1,1,0,0,0|0,0,0]=2 1869 B7R0.5 CCOC(=O)N(Cl)Cl MCULE-5524945489 [0,1,1,0,0,0|1,0,0]=3 1870 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1032359164 [0,1,1,0,0,0|2,0,0]=4 1871 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1087923626 [0,1,1,0,0,0|2,0,0]=4 1872 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-1553164105 [0,1,1,0,0,0|1,0,0]=3 1873 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-2294196196 [0,1,1,0,0,0|1,0,0]=3 1874 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-4613491627 [0,1,1,0,0,0|1,0,0]=3 1875 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-8190900780 [0,1,1,0,0,0|1,0,0]=3 1876 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-3372948910 [0,1,1,0,0,0|2,0,0]=4 1877 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-5795033916 [0,1,1,0,0,0|2,0,0]=4 1878 B7R0.5 CCOC(=O)[C@H](C)F MCULE-3258014155 [0,1,1,0,0,0|2,0,0]=4 1879 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4397919899 [0,1,1,0,0,0|1,0,0]=3 1880 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4404274511 [0,1,1,0,0,0|1,0,0]=3 1881 B7R0.5 CCOC(=O)[C@H](C)N MCULE-7626045082 [0,1,1,0,0,0|1,0,0]=3 1882 B7R0.5 CCOC(=O)[C@H](C)N MCULE-8333235087 [0,1,1,0,0,0|1,0,0]=3 1883 B7R0.5 CCOC(=O)[C@H](C)O MCULE-4333545760 [0,1,1,0,0,0|2,0,0]=4 1884 B7R0.5 CCOC(=O)[C@H](C)O MCULE-8787861948 [0,1,1,0,0,0|2,0,0]=4 1885 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [0,1,1,0,0,0|1,1,0]=4 1886 B7R0.5 CCSC(=O)C(C)N MCULE-3205133332 [0,1,1,0,0,0|1,1,0]=4 1887 B7R0.5 CCSC(=O)C(C)N MCULE-4228316337 [0,1,1,0,0,0|1,1,0]=4 1888 B7R0.5 CCSC(=O)[C@H](C)N MCULE-3136283874 [0,1,1,0,0,0|1,1,0]=4 1889 B7R0.5 CCSC(=O)[C@H](C)N MCULE-7218618193 [0,1,1,0,0,0|1,1,0]=4 1890 B7R0.5 CCSC(=O)[C@H](C)N MCULE-8421179745 [0,1,1,0,0,0|1,1,0]=4 1891 B7R0.5 CCSC(=O)[C@H](C)N MCULE-9872171069 [0,1,1,0,0,0|1,1,0]=4 1892 B7R0.5 CN(C)C(=O)OCCl MCULE-5918090090 [0,1,1,0,0,0|2,0,0]=4 1893 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,1,1,0,0,0|2,0,0]=4 1894 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,1,1,0,0,0|2,0,0]=4 1895 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,1,1,0,0,0|2,0,0]=4 1896 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,1,1,0,0,0|2,0,0]=4 1897 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,1,1,0,0,0|1,0,0]=3 1898 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,1,1,0,0,0|1,0,0]=3 1899 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,1,1,0,0,0|1,1,0]=4 1900 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,1,1,0,0,0|1,1,0]=4 1901 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,1,1,0,0,0|2,0,0]=4 1902 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,1,1,0,0,0|2,0,0]=4 1903 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,1,1,0,0,0|2,0,0]=4 1904 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,1,1,0,0,0|2,0,0]=4 1905 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,1,1,0,0,0|2,0,0]=4 1906 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,1,1,0,0,0|2,0,0]=4 1907 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,1,1,0,0,0|2,0,0]=4 1908 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,1,1,0,0,0|2,0,0]=4 1909 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,1,1,0,0,0|2,0,0]=4 1910 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,1,1,0,0,0|2,0,0]=4 1911 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,1,1,0,0,0|2,0,0]=4 1912 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,1,1,0,0,0|2,0,0]=4 1913 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,1,1,0,0,0|2,0,0]=4 1914 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,1,1,0,0,0|2,0,0]=4 1915 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,1,1,0,0,0|2,0,0]=4 1916 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,1,1,0,0,0|2,0,0]=4 1917 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,1,1,0,0,0|2,0,0]=4 1918 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,1,1,0,0,0|2,0,0]=4 1919 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,1,1,0,0,0|2,0,0]=4 1920 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,1,1,0,0,0|2,0,0]=4 1921 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,1,1,0,0,0|2,0,0]=4 1922 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,1,1,0,0,0|2,0,0]=4 1923 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,1,1,0,0,0|2,0,0]=4 1924 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,1,1,0,0,0|2,0,0]=4 1925 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,1,1,0,0,0|2,0,0]=4 1926 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,1,1,0,0,0|1,0,0]=3 1927 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,1,1,0,0,0|1,0,0]=3 1928 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,1,1,0,0,0|1,1,0]=4 1929 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,1,1,0,0,0|1,1,0]=4 1930 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,1,1,0,0,0|2,0,0]=4 1931 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,1,1,0,0,0|2,0,0]=4 1932 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,1,1,0,0,0|1,0,0]=3 1933 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,1,1,0,0,0|1,0,0]=3 1934 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,1,1,0,0,0|1,1,0]=4 1935 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,1,1,0,0,0|1,1,0]=4 1936 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,1,1,0,0,0|2,0,0]=4 1937 B7R0.7 C#CCC(=O)OCC MCULE-2012473321 [0,1,1,0,0,0|2,0,0]=4 1938 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [0,1,1,0,0,0|2,0,0]=4 1939 B7R0.7 C=C=CC(=O)OCC MCULE-9108726418 [0,1,1,0,0,0|2,0,0]=4 1940 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [0,1,1,0,0,0|2,0,0]=4 1941 B7R0.7 C=CCN(C)CCO MCULE-5364416545 [0,1,1,0,0,0|2,0,0]=4 1942 B7R0.7 CC#CC(=O)OCC MCULE-3358315498 [0,1,1,0,0,0|2,0,0]=4 1943 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [0,1,1,0,0,0|2,0,0]=4 1944 B7R0.7 CCCC(=O)OCC MCULE-9977024136 [0,1,1,0,0,0|2,0,0]=4 1945 B7R0.7 CCNC(=O)CCN MCULE-2856252531 [0,1,1,0,0,0|2,0,0]=4 1946 B7R0.7 CCNC(=O)CCN MCULE-3929666209 [0,1,1,0,0,0|2,0,0]=4 1947 B7R0.7 CCNC(=O)CNC MCULE-1939824251 [0,1,1,0,0,0|2,0,0]=4 1948 B7R0.7 CCNC(=O)CNC MCULE-2815515396 [0,1,1,0,0,0|2,0,0]=4 1949 B7R0.7 CCNC(=O)NCC MCULE-2253571388 [0,1,1,0,0,0|2,0,0]=4 1950 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [0,1,1,0,0,0|1,0,0]=3 1951 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [0,1,1,0,0,0|2,0,0]=4 1952 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [0,1,1,0,0,0|2,0,0]=4 1953 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [0,1,1,0,0,0|2,0,0]=4 1954 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [0,1,1,0,0,0|2,0,0]=4 1955 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [0,1,1,0,0,0|2,0,0]=4 1956 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,1,1,0,0,0|1,0,0]=3 1957 B7R0.7 CCOC(=O)C#CBr MCULE-5306962165 [0,1,1,0,0,0|2,0,0]=4 1958 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [0,1,1,0,0,0|2,0,0]=4 1959 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [0,1,1,0,0,0|2,0,0]=4 1960 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [0,1,1,0,0,0|2,0,0]=4 1961 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [0,1,1,0,0,0|2,0,0]=4 1962 B7R0.7 CCOC(=O)C=NN MCULE-5132323904 [0,1,1,0,0,0|0,0,1]=3 1963 B7R0.7 CCOC(=O)C=NN MCULE-5899717314 [0,1,1,0,0,0|0,0,1]=3 1964 B7R0.7 CCOC(=O)C=NO MCULE-8888029932 [0,1,1,0,0,0|1,0,1]=4 1965 B7R0.7 CCOC(=O)CC#N MCULE-3161671261 [0,1,1,0,0,0|1,0,1]=4 1966 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,1,1,0,0,0|2,0,0]=4 1967 B7R0.7 CCOC(=O)CCBr MCULE-1898467026 [0,1,1,0,0,0|2,0,0]=4 1968 B7R0.7 CCOC(=O)CCCl MCULE-2623656770 [0,1,1,0,0,0|2,0,0]=4 1969 B7R0.7 CCOC(=O)CCI MCULE-9651397551 [0,1,1,0,0,0|2,0,0]=4 1970 B7R0.7 CCOC(=O)CCN MCULE-4383008445 [0,1,1,0,0,0|1,0,0]=3 1971 B7R0.7 CCOC(=O)CCN MCULE-6873709061 [0,1,1,0,0,0|1,0,0]=3 1972 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [0,1,1,0,0,0|2,0,0]=4 1973 B7R0.7 CCOC(=O)CCS MCULE-3955367746 [0,1,1,0,0,0|2,0,0]=4 1974 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [0,1,1,0,0,0|1,0,0]=3 1975 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [0,1,1,0,0,0|1,0,0]=3 1976 B7R0.7 CCOC(=O)CNN MCULE-2832319636 [0,1,1,0,0,0|0,0,0]=2 1977 B7R0.7 CCOC(=O)CNN MCULE-3479623348 [0,1,1,0,0,0|0,0,0]=2 1978 B7R0.7 CCOC(=O)CNN MCULE-5066106273 [0,1,1,0,0,0|0,0,0]=2 1979 B7R0.7 CCOC(=O)COC MCULE-7739678079 [0,1,1,0,0,0|2,0,0]=4 1980 B7R0.7 CCOC(=O)CON MCULE-4924818206 [0,1,1,0,0,0|1,0,0]=3 1981 B7R0.7 CCOC(=O)CSC MCULE-5199209389 [0,1,1,0,0,0|2,0,0]=4 1982 B7R0.7 CCOC(=O)N=C=O MCULE-6030513409 [0,1,1,0,0,0|1,0,1]=4 1983 B7R0.7 CCOC(=O)N=C=S MCULE-1259119752 [0,1,1,0,0,0|1,0,1]=4 1984 B7R0.7 CCOC(=O)N=S=O MCULE-2418866175 [0,1,1,0,0,0|1,0,1]=4 1985 B7R0.7 CCOC(=O)NCCl MCULE-9646468987 [0,1,1,0,0,0|1,0,0]=3 1986 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [0,1,1,0,0,0|1,0,0]=3 1987 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [0,1,1,0,0,0|0,0,0]=2 1988 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,1,1,0,0,0|1,0,0]=3 1989 B7R0.7 CCOC(=O)OCC MCULE-1394890550 [0,1,1,0,0,0|2,0,0]=4 1990 B7R0.7 CCOC(=O)OCCl MCULE-9723292956 [0,1,1,0,0,0|2,0,0]=4 1991 B7R0.7 CCOC(=O)OCI MCULE-7994621582 [0,1,1,0,0,0|2,0,0]=4 1992 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [0,1,1,0,0,0|2,0,0]=4 1993 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [0,1,1,0,0,0|2,0,0]=4 1994 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [0,1,1,0,0,0|2,0,0]=4 1995 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [0,1,1,0,0,0|2,0,0]=4 1996 B7R0.10 CCC(C)C(=O)NN MCULE-4144584435 [0,1,1,0,0,0|1,0,0]=3 1997 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,1,1,0,0,0|2,0,0]=4 1998 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,1,1,0,0,0|2,0,0]=4 1999 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,1,1,0,0,0|2,0,0]=4 2000 B7R0.10 COC(=O)C(=O)NN MCULE-7834741474 [0,1,1,0,0,0|2,0,0]=4 2001 B7R0.10 COC(C)C(=O)NN MCULE-7263059210 [0,1,1,0,0,0|2,0,0]=4 2002 B7R0.10 NNC(=O)C(N)CO MCULE-3324075598 [0,1,1,0,0,0|2,0,0]=4 2003 B7R0.10 NNC(=O)C(N)CO MCULE-6651241883 [0,1,1,0,0,0|2,0,0]=4 2004 B7R0.10 NNC(=O)[C@@H](N)CS MCULE-9375468264 [0,1,1,0,0,0|2,0,0]=4 2005 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [0,1,1,0,0,0|2,0,0]=4 2006 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [0,1,1,0,0,0|2,0,0]=4 2007 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [0,1,1,0,0,0|2,0,0]=4 2008 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [0,1,1,0,0,0|2,0,0]=4 2009 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [0,1,1,0,0,0|2,0,0]=4 2010 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [0,1,1,0,0,0|2,0,0]=4 2011 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [0,1,1,0,0,0|2,0,0]=4 2012 B7R0.12 CCN(CCO)N=O MCULE-3100234015 [0,1,1,0,0,0|2,0,0]=4 2013 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,1,1,0,0,0|2,0,0]=4 2014 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,1,1,0,0,0|2,0,0]=4 2015 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,1,1,0,0,0|2,0,0]=4 2016 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,1,1,0,0,0|2,0,0]=4 2017 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,1,1,0,0,0|2,0,0]=4 2018 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,1,1,0,0,0|2,0,0]=4 2019 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,1,1,0,0,0|2,0,0]=4 2020 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,1,1,0,0,0|1,0,0]=3 2021 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,1,1,0,0,0|1,0,0]=3 2022 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,1,1,0,0,0|1,0,0]=3 2023 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,1,1,0,0,0|2,0,0]=4 2024 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,1,1,0,0,0|2,0,0]=4 2025 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,1,1,0,0,0|2,0,0]=4 2026 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,1,1,0,0,0|1,0,0]=3 2027 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,1,1,0,0,0|1,0,0]=3 2028 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,1,1,0,0,0|1,0,0]=3 2029 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,1,1,0,0,0|1,0,0]=3 2030 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,1,1,0,0,0|1,0,0]=3 2031 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,1,1,0,0,0|1,0,0]=3 2032 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,1,1,0,0,0|1,0,0]=3 2033 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,1,1,0,0,0|1,0,0]=3 2034 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,1,1,0,0,0|2,0,0]=4 2035 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,1,1,0,0,0|2,0,0]=4 2036 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,1,1,0,0,0|2,0,0]=4 2037 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,1,1,0,0,0|2,0,0]=4 2038 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,1,1,0,0,0|2,0,0]=4 2039 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,1,1,0,0,0|2,0,0]=4 2040 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,1,1,0,0,0|2,0,0]=4 2041 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,1,1,0,0,0|2,0,0]=4 2042 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,1,1,0,0,0|2,0,0]=4 2043 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,1,1,0,0,0|2,0,0]=4 2044 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,1,1,0,0,0|2,0,0]=4 2045 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,1,1,0,0,0|2,0,0]=4 2046 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,1,1,0,0,0|2,0,0]=4 2047 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,1,1,0,0,0|2,0,0]=4 2048 B7R0.14 CNC(=O)C(C)(C)N MCULE-1321000327 [0,1,1,0,0,0|2,0,0]=4 2049 B7R0.14 CNC(=O)C(C)(C)N MCULE-9072698278 [0,1,1,0,0,0|2,0,0]=4 2050 B7R0.14 COC(=O)C(C)(C)Br MCULE-5360609815 [0,1,1,0,0,0|2,0,0]=4 2051 B7R0.14 COC(=O)C(C)(C)C MCULE-7232137855 [0,1,1,0,0,0|2,0,0]=4 2052 B7R0.14 COC(=O)C(C)(C)Cl MCULE-7593832654 [0,1,1,0,0,0|2,0,0]=4 2053 B7R0.14 COC(=O)C(C)(C)F MCULE-9004910682 [0,1,1,0,0,0|2,0,0]=4 2054 B7R0.14 COC(=O)C(C)(C)N MCULE-4421106396 [0,1,1,0,0,0|1,0,0]=3 2055 B7R0.14 COC(=O)C(C)(C)N MCULE-5665918426 [0,1,1,0,0,0|1,0,0]=3 2056 B7R0.14 COC(=O)C(C)(C)O MCULE-2680975247 [0,1,1,0,0,0|2,0,0]=4 2057 B7R0.14 COC(=O)C(C)(C)S MCULE-7289580958 [0,1,1,0,0,0|2,0,0]=4 2058 B7R0.14 COC(=O)C(C)(Cl)Cl MCULE-5610542692 [0,1,1,0,0,0|2,0,0]=4 2059 B7R0.14 COC(=O)C(C)(F)Br MCULE-1347184682 [0,1,1,0,0,0|2,0,0]=4 2060 B7R0.14 COC(=O)C(C)(F)F MCULE-3373856454 [0,1,1,0,0,0|2,0,0]=4 2061 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,1,1,0,0,0|2,0,0]=4 2062 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,1,1,0,0,0|1,0,1]=4 2063 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,1,1,0,0,0|2,0,0]=4 2064 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,1,1,0,0,0|1,0,0]=3 2065 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,1,1,0,0,0|1,0,0]=3 2066 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,1,1,0,0,0|2,0,0]=4 2067 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,1,1,0,0,0|2,0,0]=4 2068 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,1,1,0,0,0|2,0,0]=4 2069 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,1,1,0,0,0|1,0,0]=3 2070 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,1,1,0,0,0|1,0,0]=3 2071 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,1,1,0,0,0|1,0,0]=3 2072 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,1,1,0,0,0|1,0,0]=3 2073 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,1,1,0,0,0|2,0,0]=4 2074 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,1,1,0,0,0|2,0,0]=4 2075 B7R0.15 CCN(CC)C(=O)C MCULE-6584128098 [0,1,1,0,0,0|2,0,0]=4 2076 B7R0.15 CCN(CC)C(=O)Cl MCULE-2162985195 [0,1,1,0,0,0|2,0,0]=4 2077 B7R0.15 CCN(CC)C(=O)N MCULE-7011051295 [0,1,1,0,0,0|2,0,0]=4 2078 B7R0.15 CCN(N=O)C(=O)N MCULE-1587704958 [0,1,1,0,0,0|1,0,1]=4 2079 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,1,1,0,0,0|1,0,0]=3 2080 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,1,1,0,0,0|1,0,0]=3 2081 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,1,1,0,0,0|1,0,0]=3 2082 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,1,1,0,0,0|1,0,0]=3 2083 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,1,1,0,0,0|1,0,0]=3 2084 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,1,1,0,0,0|2,0,0]=4 2085 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,1,1,0,0,0|2,0,0]=4 2086 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,1,1,0,0,0|2,0,0]=4 2087 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,1,1,0,0,0|2,0,0]=4 2088 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,1,1,0,0,0|2,0,0]=4 2089 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,1,1,0,0,0|2,0,0]=4 2090 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,1,1,0,0,0|2,0,0]=4 2091 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,1,1,0,0,0|2,0,0]=4 2092 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,1,1,0,0,0|2,0,0]=4 2093 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,1,1,0,0,0|2,0,0]=4 2094 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,1,1,0,0,0|2,0,0]=4 2095 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,1,1,0,0,0|2,0,0]=4 2096 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,1,1,0,0,0|2,0,0]=4 2097 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,1,1,0,0,0|2,0,0]=4 2098 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,1,1,0,0,0|2,0,0]=4 2099 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,1,1,0,0,0|2,0,0]=4 2100 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,1,1,0,0,0|2,0,0]=4 2101 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,1,1,0,0,0|2,0,0]=4 2102 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,1,1,0,0,0|2,0,0]=4 2103 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,1,1,0,0,0|2,0,0]=4 2104 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,1,1,0,0,0|2,0,0]=4 2105 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,1,1,0,0,0|2,0,0]=4 2106 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,1,1,0,0,0|2,0,0]=4 2107 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,1,1,0,0,0|2,0,0]=4 2108 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,1,1,0,0,0|2,0,0]=4 2109 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,1,1,0,0,0|2,0,0]=4 2110 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,1,1,0,0,0|2,0,0]=4 2111 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,1,1,0,0,0|2,0,0]=4 2112 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,1,1,0,0,0|2,0,0]=4 2113 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,1,1,0,0,0|2,0,0]=4 2114 B7R0.16 C=C(C)C(=O)N(C)C MCULE-5921699549 [0,1,1,0,0,0|2,0,0]=4 2115 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,1,0,0,0|1,0,1]=4 2116 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,1,0,0,0|1,0,1]=4 2117 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,1,0,0,0|1,0,1]=4 2118 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,1,0,0,0|1,0,1]=4 2119 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,1,0,0,0|1,0,1]=4 2120 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,1,0,0,0|1,0,1]=4 2121 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,1,0,0,0|1,0,1]=4 2122 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,1,0,0,0|1,0,1]=4 2123 B7R0.16 CC(=O)C(=O)N(C)C MCULE-9467983911 [0,1,1,0,0,0|2,0,0]=4 2124 B7R0.16 CC(Br)C(=O)N(C)C MCULE-9562234877 [0,1,1,0,0,0|2,0,0]=4 2125 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,1,0,0,0|2,0,0]=4 2126 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,1,0,0,0|2,0,0]=4 2127 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,1,1,0,0,0|2,0,0]=4 2128 B7R0.16 CC(C)C(=O)N(C)C MCULE-7036977402 [0,1,1,0,0,0|2,0,0]=4 2129 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,1,0,0,0|2,0,0]=4 2130 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,1,0,0,0|2,0,0]=4 2131 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,1,0,0,0|2,0,0]=4 2132 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,1,0,0,0|2,0,0]=4 2133 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,1,0,0,0|2,0,0]=4 2134 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,1,0,0,0|2,0,0]=4 2135 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,1,0,0,0|2,0,0]=4 2136 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,1,0,0,0|1,0,0]=3 2137 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,1,0,0,0|1,0,0]=3 2138 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,1,0,0,0|2,0,0]=4 2139 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,1,0,0,0|2,0,0]=4 2140 B7R0.16 CC(C)N(C)C(=O)Cl MCULE-1063482503 [0,1,1,0,0,0|2,0,0]=4 2141 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,1,0,0,0|2,0,0]=4 2142 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,1,0,0,0|2,0,0]=4 2143 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,1,0,0,0|2,0,0]=4 2144 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,1,0,0,0|2,0,0]=4 2145 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,1,0,0,0|2,0,0]=4 2146 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,1,0,0,0|2,0,0]=4 2147 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,1,0,0,0|1,0,0]=3 2148 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,1,0,0,0|1,0,0]=3 2149 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,1,0,0,0|2,0,0]=4 2150 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,1,0,0,0|2,0,0]=4 2151 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,1,0,0,0|2,0,0]=4 2152 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,1,0,0,0|2,0,0]=4 2153 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,1,0,0,0|2,0,0]=4 2154 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,1,0,0,0|2,0,0]=4 2155 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,1,0,0,0|2,0,0]=4 2156 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,1,0,0,0|2,0,0]=4 2157 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,1,0,0,0|2,0,0]=4 2158 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,1,0,0,0|2,0,0]=4 2159 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,1,0,0,0|2,0,0]=4 2160 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,1,0,0,0|2,0,0]=4 2161 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,1,0,0,0|2,0,0]=4 2162 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,1,0,0,0|2,0,0]=4 2163 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,1,0,0,0|1,0,0]=3 2164 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,1,0,0,0|1,0,0]=3 2165 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,1,0,0,0|2,0,0]=4 2166 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,1,0,0,0|2,0,0]=4 2167 B7R0.16 CC(Cl)C(=O)N(C)C MCULE-2811355975 [0,1,1,0,0,0|2,0,0]=4 2168 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,1,0,0,0|1,0,0]=3 2169 B7R0.16 CC(N)C(=O)N(C)C MCULE-2791191599 [0,1,1,0,0,0|2,0,0]=4 2170 B7R0.16 CC(N)C(=O)N(C)C MCULE-8778663851 [0,1,1,0,0,0|2,0,0]=4 2171 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,1,0,0,0|2,0,0]=4 2172 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,1,0,0,0|2,0,0]=4 2173 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,1,0,0,0|2,0,0]=4 2174 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,1,0,0,0|2,0,0]=4 2175 B7R0.16 CC(O)C(=O)N(C)C MCULE-9214363632 [0,1,1,0,0,0|2,0,0]=4 2176 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,1,0,0,0|2,0,0]=4 2177 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,1,0,0,0|2,0,0]=4 2178 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,1,0,0,0|2,0,0]=4 2179 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,1,0,0,0|1,0,0]=3 2180 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,1,0,0,0|1,0,0]=3 2181 B7R0.16 CN(C)C(=O)N(C)C MCULE-7351707320 [0,1,1,0,0,0|2,0,0]=4 2182 B7R0.16 C[C@@H](N)C(=O)N(C)C MCULE-1254398788 [0,1,1,0,0,0|2,0,0]=4 2183 B7R0.16 C[C@@H](N)C(=O)N(C)C MCULE-3340919082 [0,1,1,0,0,0|2,0,0]=4 2184 B7R0.16 C[C@@H](N)C(=O)N(C)C MCULE-4089177098 [0,1,1,0,0,0|2,0,0]=4 2185 B7R0.16 C[C@@H](N)C(=O)N(C)C MCULE-8812458791 [0,1,1,0,0,0|2,0,0]=4 2186 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,1,0,0,0|1,0,0]=3 2187 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,1,0,0,0|1,0,0]=3 2188 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,1,0,0,0|1,0,0]=3 2189 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,1,0,0,0|1,0,0]=3 2190 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,1,0,0,0|1,0,0]=3 2191 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,1,0,0,0|2,0,0]=4 2192 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,1,0,0,0|2,0,0]=4 2193 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,1,0,0,0|2,0,0]=4 2194 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,1,0,0,0|2,0,0]=4 2195 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,1,0,0,0|2,0,0]=4 2196 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,1,0,0,0|2,0,0]=4 2197 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,1,0,0,0|1,0,0]=3 2198 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,1,0,0,0|1,0,0]=3 2199 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,1,0,0,0|1,0,0]=3 2200 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,1,0,0,0|1,0,0]=3 2201 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,1,0,0,0|1,0,0]=3 2202 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,1,0,0,0|2,0,0]=4 2203 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,1,0,0,0|2,0,0]=4 2204 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,1,0,0,0|2,0,0]=4 2205 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,1,0,0,0|2,0,0]=4 2206 B7R0.16 C[C@H](N)C(=O)N(C)C MCULE-3137207909 [0,1,1,0,0,0|2,0,0]=4 2207 B7R0.16 C[C@H](N)C(=O)N(C)C MCULE-5217565187 [0,1,1,0,0,0|2,0,0]=4 2208 B7R0.16 C[C@H](N)C(=O)N(C)C MCULE-9937914466 [0,1,1,0,0,0|2,0,0]=4 2209 B7R0.16 C[C@H](N)C(=O)N(C)C MCULE-9991929560 [0,1,1,0,0,0|2,0,0]=4 2210 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,1,0,0,0|1,0,0]=3 2211 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,1,0,0,0|2,0,0]=4 2212 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,1,0,0,0|2,0,0]=4 2213 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,1,0,0,0|1,0,0]=3 2214 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,1,0,0,0|1,0,0]=3 2215 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,1,0,0,0|1,0,0]=3 2216 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,1,0,0,0|1,0,0]=3 2217 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,1,0,0,0|1,0,0]=3 2218 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,1,0,0,0|1,0,0]=3 2219 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,1,0,0,0|1,0,0]=3 2220 B7R0.1 C=CCOCCCN MCULE-4862923195 [0,1,1,0,0,0|2,0,0]=4 2221 B7R0.1 CCCCCOC=O MCULE-2718009140 [0,1,1,0,0,0|2,0,0]=4 2222 B7R0.1 COCCOCC=O MCULE-2621317944 [0,1,1,0,0,0|2,0,0]=4 2223 B7R0.1 O=CNCCNC=O MCULE-8845509869 [0,1,1,0,0,0|2,0,0]=4 2224 B7R0.1 O=COCCOC=O MCULE-6942322322 [0,1,1,0,0,0|2,0,0]=4 2225 B7R0.4 C#CCCOC(=O)Cl MCULE-5894719916 [0,1,1,0,0,0|2,0,0]=4 2226 B7R0.4 C#CCCOC(=O)N MCULE-4721276092 [0,1,1,0,0,0|2,0,0]=4 2227 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [0,1,1,0,0,0|2,0,0]=4 2228 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [0,1,1,0,0,0|2,0,0]=4 2229 B7R0.4 C=COCCN(C)C MCULE-5557000118 [0,1,1,0,0,0|2,0,0]=4 2230 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,1,1,0,0,0|2,0,0]=4 2231 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,1,1,0,0,0|2,0,0]=4 2232 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,1,1,0,0,0|2,0,0]=4 2233 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [0,1,1,0,0,0|2,0,0]=4 2234 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [0,1,1,0,0,0|2,0,0]=4 2235 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [0,1,1,0,0,0|2,0,0]=4 2236 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,1,1,0,0,0|2,0,0]=4 2237 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [0,1,1,0,0,0|2,0,0]=4 2238 B7R0.4 CC(C)CCOC=O MCULE-3671444552 [0,1,1,0,0,0|2,0,0]=4 2239 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,1,1,0,0,0|2,0,0]=4 2240 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [0,1,1,0,0,0|2,0,0]=4 2241 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,1,1,0,0,0|2,0,0]=4 2242 B7R0.4 CN(C)CCCC=O MCULE-1296611805 [0,1,1,0,0,0|2,0,0]=4 2243 B7R0.4 CN(C)CCNC=O MCULE-6221074161 [0,1,1,0,0,0|2,0,0]=4 2244 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,1,1,0,0,0|2,0,0]=4 2245 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,1,1,0,0,0|2,0,0]=4 2246 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,1,1,0,0,0|2,0,0]=4 2247 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,1,1,0,0,0|2,0,0]=4 2248 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [0,1,1,0,0,0|2,0,0]=4 2249 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [0,1,1,0,0,0|2,0,0]=4 2250 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [0,1,1,0,0,0|1,0,0]=3 2251 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [0,1,1,0,0,0|1,0,0]=3 2252 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,1,1,0,0,0|2,0,0]=4 2253 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [0,1,1,0,0,0|2,0,0]=4 2254 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,1,1,0,0,0|2,0,0]=4 2255 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [0,1,1,0,0,0|2,0,0]=4 2256 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,1,1,0,0,0|2,0,0]=4 2257 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,1,1,0,0,0|2,0,0]=4 2258 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,1,1,0,0,0|2,0,0]=4 2259 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,1,1,0,0,0|2,0,0]=4 2260 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,1,1,0,0,0|2,0,0]=4 2261 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,1,1,0,0,0|2,0,0]=4 2262 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,1,1,0,0,0|2,0,0]=4 2263 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,1,1,0,0,0|2,0,0]=4 2264 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [0,1,1,0,0,0|2,0,0]=4 2265 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,1,1,0,0,0|2,0,0]=4 2266 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,1,1,0,0,0|2,0,0]=4 2267 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [0,1,1,0,0,0|2,0,0]=4 2268 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [0,1,1,0,0,0|2,0,0]=4 2269 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [1,1,0,0,0,0|1,0,1]=4 2270 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [1,1,0,0,0,0|1,0,1]=4 2271 B7R1.1 C1(CCOC1)NC MCULE-8636753374 [1,1,0,0,0,0|1,0,1]=4 2272 B7R1.1 CCC1=NCCN1 MCULE-4105881010 [1,1,0,0,0,0|2,0,0]=4 2273 B7R1.1 CCC1=NCCO1 MCULE-3838550511 [1,1,0,0,0,0|1,0,1]=4 2274 B7R1.1 CNC1=NCCN1 MCULE-8411755728 [1,1,0,0,0,0|2,0,0]=4 2275 B7R1.1 CNC1=NCCN1 MCULE-9337116685 [1,1,0,0,0,0|2,0,0]=4 2276 B7R1.1 CNC1CCOC1 MCULE-5628928593 [1,1,0,0,0,0|1,0,1]=4 2277 B7R1.1 CNC1CCOC1 MCULE-7465078745 [1,1,0,0,0,0|1,0,1]=4 2278 B7R1.1 CNC1CCOC1 MCULE-8928979869 [1,1,0,0,0,0|1,0,1]=4 2279 B7R1.1 CN[C@@H]1CCOC1 MCULE-2275496757 [1,1,0,0,0,0|1,0,1]=4 2280 B7R1.1 CN[C@@H]1CCOC1 MCULE-4479731635 [1,1,0,0,0,0|1,0,1]=4 2281 B7R1.1 CN[C@@H]1CCOC1 MCULE-4936509842 [1,1,0,0,0,0|1,0,1]=4 2282 B7R1.1 CN[C@@H]1CCOC1 MCULE-7543653230 [1,1,0,0,0,0|1,0,1]=4 2283 B7R1.1 CN[C@H]1CCOC1 MCULE-3884907072 [1,1,0,0,0,0|1,0,1]=4 2284 B7R1.1 CN[C@H]1CCOC1 MCULE-5671082057 [1,1,0,0,0,0|1,0,1]=4 2285 B7R1.1 CN[C@H]1CCOC1 MCULE-7223789451 [1,1,0,0,0,0|1,0,1]=4 2286 B7R1.1 CN[C@H]1CCOC1 MCULE-7903690510 [1,1,0,0,0,0|1,0,1]=4 2287 B7R1.1 COC1=CCCN1 MCULE-6283476666 [1,1,0,0,0,0|1,0,1]=4 2288 B7R1.1 COC1=NCCN1 MCULE-4640802770 [1,1,0,0,0,0|1,0,1]=4 2289 B7R1.1 CSC1=NCCN1 MCULE-2508776031 [1,1,0,0,0,0|1,1,0]=4 2290 B7R1.1 CSC1=NCCN1 MCULE-3552473411 [1,1,0,0,0,0|1,1,0]=4 2291 B7R1.1 CSC1=NCCN1 MCULE-6313819915 [1,1,0,0,0,0|1,1,0]=4 2292 B7R1.1 ClCC1=NCCN1 MCULE-1496461910 [1,1,0,0,0,0|2,0,0]=4 2293 B7R1.1 ClCC1=NCCN1 MCULE-6501608310 [1,1,0,0,0,0|2,0,0]=4 2294 B7R1.1 ClCC1=NCCO1 MCULE-8789331570 [1,1,0,0,0,0|1,0,1]=4 2295 B7R1.1 NCC1C=CCC1 MCULE-5829076156 [1,1,0,0,0,0|2,0,0]=4 2296 B7R1.1 NCC1C=CCC1 MCULE-8381701177 [1,1,0,0,0,0|2,0,0]=4 2297 B7R1.1 NCC1CCOC1 MCULE-4208746127 [1,1,0,0,0,0|1,0,1]=4 2298 B7R1.1 NCC1CCOC1 MCULE-6540410947 [1,1,0,0,0,0|1,0,1]=4 2299 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [1,1,0,0,0,0|1,0,1]=4 2300 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [1,1,0,0,0,0|1,0,1]=4 2301 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [1,1,0,0,0,0|1,0,1]=4 2302 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [1,1,0,0,0,0|1,0,1]=4 2303 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [1,1,0,0,0,0|1,0,1]=4 2304 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [1,1,0,0,0,0|1,0,1]=4 2305 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [1,1,0,0,0,0|1,0,1]=4 2306 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [1,1,0,0,0,0|1,0,1]=4 2307 B7R1.1 NNC1=NCCN1 MCULE-2311438625 [1,1,0,0,0,0|2,0,0]=4 2308 B7R1.1 NNC1=NCCN1 MCULE-7559191980 [1,1,0,0,0,0|2,0,0]=4 2309 B7R1.1 NNC1=NCCN1 MCULE-9981367264 [1,1,0,0,0,0|2,0,0]=4 2310 B7R1.1 NNC1CCOC1 MCULE-5497635104 [1,1,0,0,0,0|1,0,1]=4 2311 B7R1.1 NNC1CCOC1 MCULE-9086625827 [1,1,0,0,0,0|1,0,1]=4 2312 B7R1.1 NNC1CCOC1 MCULE-9696991785 [1,1,0,0,0,0|1,0,1]=4 2313 B7R1.1 NN[C@@H]1CCOC1 MCULE-5277138269 [1,1,0,0,0,0|1,0,1]=4 2314 B7R1.1 NN[C@@H]1CCOC1 MCULE-5921785384 [1,1,0,0,0,0|1,0,1]=4 2315 B7R1.1 NN[C@@H]1CCOC1 MCULE-7398479477 [1,1,0,0,0,0|1,0,1]=4 2316 B7R1.1 NN[C@@H]1CCOC1 MCULE-9971593238 [1,1,0,0,0,0|1,0,1]=4 2317 B7R1.1 NN[C@H]1CCOC1 MCULE-2032105408 [1,1,0,0,0,0|1,0,1]=4 2318 B7R1.1 NN[C@H]1CCOC1 MCULE-4857620237 [1,1,0,0,0,0|1,0,1]=4 2319 B7R1.1 NN[C@H]1CCOC1 MCULE-5796183363 [1,1,0,0,0,0|1,0,1]=4 2320 B7R1.1 NN[C@H]1CCOC1 MCULE-8921088992 [1,1,0,0,0,0|1,0,1]=4 2321 B7R1.1 NOC1CCOC1 MCULE-1016688849 [1,1,0,0,0,0|1,0,1]=4 2322 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [1,1,0,0,0,0|1,0,1]=4 2323 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [1,1,0,0,0,0|2,0,0]=4 2324 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [1,1,0,0,0,0|1,0,0]=3 2325 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [1,1,0,0,0,0|1,0,1]=4 2326 B7R1.1 O=S=C1NC=CO1 MCULE-4980537256 [1,1,0,0,0,0|0,0,2]=4 2327 B7R1.1 OCC1=NCCO1 MCULE-9432593363 [1,1,0,0,0,0|0,0,2]=4 2328 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [1,1,0,0,0,0|1,0,0]=3 2329 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [1,1,0,0,0,0|1,0,0]=3 2330 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [1,1,0,0,0,0|1,0,0]=3 2331 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [1,1,0,0,0,0|0,0,0]=2 2332 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [1,1,0,0,0,0|1,0,1]=4 2333 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [1,1,0,0,0,0|1,0,1]=4 2334 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [1,1,0,0,0,0|1,0,1]=4 2335 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [1,1,0,0,0,0|1,0,1]=4 2336 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [1,1,0,0,0,0|2,0,0]=4 2337 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [1,1,0,0,0,0|2,0,0]=4 2338 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [1,1,0,0,0,0|2,0,0]=4 2339 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [1,1,0,0,0,0|1,0,1]=4 2340 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [1,1,0,0,0,0|1,0,1]=4 2341 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,1,0,0,0,0|2,0,0]=4 2342 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [1,1,0,0,0,0|1,0,0]=3 2343 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [1,1,0,0,0,0|1,0,0]=3 2344 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,1,0,0,0,0|1,0,0]=3 2345 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [1,1,0,0,0,0|1,0,1]=4 2346 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [1,1,0,0,0,0|1,0,1]=4 2347 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [1,1,0,0,0,0|1,0,0]=3 2348 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [1,1,0,0,0,0|1,0,0]=3 2349 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,1,0,0,0,0|0,0,0]=2 2350 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [1,1,0,0,0,0|1,1,0]=4 2351 B7R1.2 CC1CNC(=S)S1 MCULE-1131079445 [1,1,0,0,0,0|0,2,0]=4 2352 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [1,1,0,0,0,0|1,0,0]=3 2353 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [1,1,0,0,0,0|0,0,0]=2 2354 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [1,1,0,0,0,0|1,0,0]=3 2355 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [1,1,0,0,0,0|0,1,0]=3 2356 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [1,1,0,0,0,0|2,0,0]=4 2357 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [1,1,0,0,0,0|1,1,0]=4 2358 B7R1.2 CC1CSC(=S)N1 MCULE-9334196132 [1,1,0,0,0,0|0,2,0]=4 2359 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [1,1,0,0,0,0|2,0,0]=4 2360 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [1,1,0,0,0,0|1,0,0]=3 2361 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [1,1,0,0,0,0|1,0,0]=3 2362 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,1,0,0,0,0|1,0,0]=3 2363 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [1,1,0,0,0,0|1,0,0]=3 2364 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [1,1,0,0,0,0|1,0,0]=3 2365 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,1,0,0,0,0|0,0,0]=2 2366 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,1,0,0,0,0|0,0,0]=2 2367 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [1,1,0,0,0,0|1,0,0]=3 2368 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [1,1,0,0,0,0|1,0,0]=3 2369 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [1,1,0,0,0,0|0,0,0]=2 2370 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [1,1,0,0,0,0|0,0,0]=2 2371 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [1,1,0,0,0,0|1,0,0]=3 2372 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [1,1,0,0,0,0|1,0,0]=3 2373 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,1,0,0,0,0|2,0,0]=4 2374 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [1,1,0,0,0,0|1,0,0]=3 2375 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [1,1,0,0,0,0|1,0,0]=3 2376 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,1,0,0,0,0|1,0,0]=3 2377 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [1,1,0,0,0,0|1,0,0]=3 2378 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [1,1,0,0,0,0|1,0,0]=3 2379 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [1,1,0,0,0,0|1,0,0]=3 2380 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [1,1,0,0,0,0|0,0,0]=2 2381 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [1,1,0,0,0,0|0,0,0]=2 2382 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [1,1,0,0,0,0|1,0,0]=3 2383 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [1,1,0,0,0,0|1,0,0]=3 2384 B7R1.2 C[C@H]1CSC(=S)N1 MCULE-6690407523 [1,1,0,0,0,0|0,2,0]=4 2385 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [1,1,0,0,0,0|0,1,1]=4 2386 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [1,1,0,0,0,0|2,0,0]=4 2387 B7R1.2 NC1C=CC(C1)O MCULE-1250487700 [1,1,0,0,0,0|2,0,0]=4 2388 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [1,1,0,0,0,0|2,0,0]=4 2389 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [1,1,0,0,0,0|2,0,0]=4 2390 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [1,1,0,0,0,0|1,0,0]=3 2391 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [1,1,0,0,0,0|1,0,0]=3 2392 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [1,1,0,0,0,0|1,0,0]=3 2393 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [1,1,0,0,0,0|1,0,0]=3 2394 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [1,1,0,0,0,0|1,0,0]=3 2395 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [1,1,0,0,0,0|1,0,0]=3 2396 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [1,1,0,0,0,0|1,0,0]=3 2397 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [1,1,0,0,0,0|1,0,0]=3 2398 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [1,1,0,0,0,0|1,0,0]=3 2399 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [1,1,0,0,0,0|1,0,0]=3 2400 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [1,1,0,0,0,0|2,0,0]=4 2401 B7R1.2 N[C@@H]1C=C[C@@H](C1)O MCULE-3439280280 [1,1,0,0,0,0|2,0,0]=4 2402 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [1,1,0,0,0,0|1,0,0]=3 2403 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [1,1,0,0,0,0|1,0,0]=3 2404 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [1,1,0,0,0,0|1,0,0]=3 2405 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [1,1,0,0,0,0|1,0,0]=3 2406 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [1,1,0,0,0,0|1,0,0]=3 2407 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [1,1,0,0,0,0|1,0,0]=3 2408 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [1,1,0,0,0,0|1,0,0]=3 2409 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [1,1,0,0,0,0|1,0,0]=3 2410 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-2880951702 [1,1,0,0,0,0|2,0,0]=4 2411 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-7715311088 [1,1,0,0,0,0|2,0,0]=4 2412 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [1,1,0,0,0,0|1,0,0]=3 2413 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [1,1,0,0,0,0|1,0,0]=3 2414 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [1,1,0,0,0,0|1,0,0]=3 2415 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [1,1,0,0,0,0|1,0,0]=3 2416 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [1,1,0,0,0,0|1,0,0]=3 2417 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [1,1,0,0,0,0|1,0,0]=3 2418 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [1,1,0,0,0,0|1,0,0]=3 2419 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [1,1,0,0,0,0|1,0,0]=3 2420 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [1,1,0,0,0,0|1,0,0]=3 2421 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [1,1,0,0,0,0|1,0,0]=3 2422 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [1,1,0,0,0,0|1,0,1]=4 2423 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,1,0,0,0,0|1,0,1]=4 2424 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [1,1,0,0,0,0|1,0,1]=4 2425 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [1,1,0,0,0,0|1,0,1]=4 2426 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [1,1,0,0,0,0|1,0,1]=4 2427 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [1,1,0,0,0,0|1,0,1]=4 2428 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [1,1,0,0,0,0|1,0,0]=3 2429 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [1,1,0,0,0,0|1,0,0]=3 2430 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,1,0,0,0,0|1,0,0]=3 2431 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,1,0,0,0,0|1,0,0]=3 2432 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [1,1,0,0,0,0|1,0,1]=4 2433 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [1,1,0,0,0,0|1,0,1]=4 2434 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [1,1,0,0,0,0|2,0,0]=4 2435 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [1,1,0,0,0,0|2,0,0]=4 2436 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,1,0,0,0,0|2,0,0]=4 2437 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,1,0,0,0,0|1,0,0]=3 2438 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,1,0,0,0,0|1,0,0]=3 2439 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,1,0,0,0,0|1,0,0]=3 2440 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [1,1,0,0,0,0|1,0,1]=4 2441 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,1,0,0,0,0|1,0,1]=4 2442 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [1,1,0,0,0,0|0,0,1]=3 2443 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [1,1,0,0,0,0|0,1,1]=4 2444 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [1,1,0,0,0,0|1,0,1]=4 2445 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [1,1,0,0,0,0|0,0,1]=3 2446 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [1,1,0,0,0,0|0,0,2]=4 2447 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [1,1,0,0,0,0|0,1,1]=4 2448 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [1,1,0,0,0,0|1,0,0]=3 2449 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [1,1,0,0,0,0|1,0,0]=3 2450 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,1,0,0,0,0|1,0,0]=3 2451 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,1,0,0,0,0|1,0,0]=3 2452 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [1,1,0,0,0,0|1,0,0]=3 2453 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [1,1,0,0,0,0|1,0,0]=3 2454 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [1,1,0,0,0,0|1,0,0]=3 2455 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [1,1,0,0,0,0|1,0,0]=3 2456 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,1,0,0,0,0|1,0,0]=3 2457 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,1,0,0,0,0|1,0,0]=3 2458 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [1,1,0,0,0,0|0,1,1]=4 2459 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [1,1,0,0,0,0|1,0,1]=4 2460 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [1,1,0,0,0,0|1,0,1]=4 2461 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [1,1,0,0,0,0|1,0,0]=3 2462 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [1,1,0,0,0,0|1,0,0]=3 2463 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,1,0,0,0,0|2,0,0]=4 2464 B7R1.14 CC1(CCOC1)N MCULE-1997756007 [1,1,0,0,0,0|1,0,1]=4 2465 B7R1.14 CC1(CCOC1)N MCULE-5807249895 [1,1,0,0,0,0|1,0,1]=4 2466 B7R1.14 CC1(NCCO1)C MCULE-5384206883 [1,1,0,0,0,0|1,0,1]=4 2467 B7R1.14 O=P1(OCCO1)Cl MCULE-8220157277 [1,1,0,0,0,0|2,0,0]=4 2468 B7R1.14 O=S1(=O)CCCN1 MCULE-8201546192 [1,1,0,0,0,0|2,0,0]=4 2469 B7R1.14 O=S1(=O)CCCO1 MCULE-4897687828 [1,1,0,0,0,0|2,0,0]=4 2470 B7R1.14 O=S1(=O)NCCN1 MCULE-4603146826 [1,1,0,0,0,0|2,0,0]=4 2471 B7R1.14 O=S1(=O)NCCO1 MCULE-2978152198 [1,1,0,0,0,0|1,0,0]=3 2472 B7R1.14 O=S1(=O)OCCO1 MCULE-4563579294 [1,1,0,0,0,0|2,0,0]=4 2473 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,1,0,0,1,0|2,0,0]=4 2474 B7R1.8 COC1CCC1=O MCULE-6511996246 [0,1,0,0,1,0|2,0,0]=4 2475 B7R1.8 CSC1CCC1=O MCULE-3892720319 [0,1,0,0,1,0|2,0,0]=4 2476 B7R1.8 N#CC1CCC1=O MCULE-3371494435 [0,1,0,0,1,0|1,0,1]=4 2477 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,1,0,0,1,0|2,0,0]=4 2478 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,1,0,0,1,0|2,0,0]=4 2479 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,1,0,0,1,0|2,0,0]=4 2480 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,1,0,0,1,0|2,0,0]=4 2481 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,1,0,0,1,0|2,0,0]=4 2482 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,1,0,0,1,0|2,0,0]=4 2483 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,1,0,0,1,0|2,0,0]=4 2484 B7R1.17 CC1(CCC1=O)C MCULE-3723871956 [0,1,0,0,1,0|2,0,0]=4 2485 B7R1.17 O=C1CCC1(Br)Br MCULE-8976658449 [0,1,0,0,1,0|2,0,0]=4 2486 B7R1.17 O=C1CCC1(F)F MCULE-4827224161 [0,1,0,0,1,0|2,0,0]=4 2487 B9R1.2 CCN1CCCC(=O)C1 MCULE-1438900169 [0,1,0,0,0,1|2,0,0]=4 2488 B9R1.2 CCN1CCCC(=O)C1 MCULE-2924579479 [0,1,0,0,0,1|2,0,0]=4 2489 B9R1.2 CCN1CCNC(=O)C1 MCULE-1191268798 [0,1,0,0,0,1|2,0,0]=4 2490 B9R1.2 CCN1CCNC(=O)C1 MCULE-5823830618 [0,1,0,0,0,1|2,0,0]=4 2491 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,1,0,0,0,1|2,0,0]=4 2492 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,1,0,0,0,1|2,0,0]=4 2493 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,1,0,0,0,1|2,0,0]=4 2494 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,1,0,0,0,1|2,0,0]=4 2495 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,1,0,0,0,1|2,0,0]=4 2496 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [0,1,0,0,0,1|2,0,0]=4 2497 B9R1.2 NCC1CCNC(=O)O1 MCULE-4253031438 [0,1,0,0,0,1|2,0,0]=4 2498 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,1,0,0,0,1|2,0,0]=4 2499 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,1,0,0,0,1|2,0,0]=4 2500 B9R1.2 O=C1C=C(CCO1)CO MCULE-1101464960 [0,1,0,0,0,1|2,0,0]=4 2501 B9R1.3 CC1C(=O)NCCN1C MCULE-4438877653 [0,1,0,0,0,1|2,0,0]=4 2502 B9R1.3 CC1C(=O)NCCN1C MCULE-5252043587 [0,1,0,0,0,1|2,0,0]=4 2503 B9R1.3 CN1CCNC(=O)C1=O MCULE-8196761481 [0,1,0,0,0,1|2,0,0]=4 2504 B9R1.34 CC1CC(=CC(=O)O1)O MCULE-3566980219 [0,1,0,0,0,1|2,0,0]=4 2505 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,1,0,0,0,1|2,0,0]=4 2506 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,1,0,0,0,1|2,0,0]=4 2507 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [0,1,0,0,0,1|1,0,1]=4 2508 B9R1.66 CC1(CCOC(=O)C1)C MCULE-4727187858 [0,1,0,0,0,1|2,0,0]=4 2509 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,1,0,0,0,1|2,0,0]=4 2510 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,1,0,0,0,1|2,0,0]=4 2511 B9R1.69 CN1CCC(=NC1=O)N MCULE-4517300685 [0,1,0,0,0,1|2,0,0]=4 2512 B9R1.69 CN1CCC(CC1=O)N MCULE-1615743106 [0,1,0,0,0,1|2,0,0]=4 2513 B9R1.69 CN1CCC(CC1=O)N MCULE-3669689846 [0,1,0,0,0,1|2,0,0]=4 2514 B9R1.69 CN1CCC(CC1=O)N MCULE-9029127990 [0,1,0,0,0,1|2,0,0]=4 2515 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2173200677 [0,1,0,0,0,1|2,0,0]=4 2516 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2636791104 [0,1,0,0,0,1|2,0,0]=4 2517 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-5158680305 [0,1,0,0,0,1|2,0,0]=4 2518 B9R1.69 CN1CC[C@H](CC1=O)N MCULE-1652984259 [0,1,0,0,0,1|2,0,0]=4 2519 B9R1.15 CCC1CCCOC1=O MCULE-7711682964 [0,1,0,0,0,1|2,0,0]=4 2520 B9R1.15 CCC1CCOCC1=O MCULE-6091403730 [0,1,0,0,0,1|2,0,0]=4 2521 B9R1.15 CCN1CCCNC1=O MCULE-6927699575 [0,1,0,0,0,1|2,0,0]=4 2522 B9R1.15 CCN1CCNCC1=O MCULE-3217588057 [0,1,0,0,0,1|2,0,0]=4 2523 B9R1.15 CCN1CCNCC1=O MCULE-3306861948 [0,1,0,0,0,1|2,0,0]=4 2524 B9R1.15 CNC1CCCCC1=O MCULE-4213094446 [0,1,0,0,0,1|2,0,0]=4 2525 B9R1.15 CNC1CCCCC1=O MCULE-6828302325 [0,1,0,0,0,1|2,0,0]=4 2526 B9R1.15 CNC1CCCNC1=O MCULE-5728861814 [0,1,0,0,0,1|2,0,0]=4 2527 B9R1.15 CNC1CCCNC1=O MCULE-6142186918 [0,1,0,0,0,1|2,0,0]=4 2528 B9R1.15 NCC1CCCNC1=O MCULE-3811327759 [0,1,0,0,0,1|2,0,0]=4 2529 B9R1.15 NCC1CCCNC1=O MCULE-7406524376 [0,1,0,0,0,1|2,0,0]=4 2530 B9R1.15 O=C1CCCCN1CCl MCULE-5595554999 [0,1,0,0,0,1|2,0,0]=4 2531 B9R1.40 CC1(CCCNC1=O)N MCULE-5500513283 [0,1,0,0,0,1|2,0,0]=4 2532 B9R1.40 CC1(CCCNC1=O)N MCULE-5995809623 [0,1,0,0,0,1|2,0,0]=4 2533 B9R1.40 CC1(CCCOC1=O)C MCULE-9200729474 [0,1,0,0,0,1|2,0,0]=4 2534 B9R1.40 CC1(NCCOC1=O)C MCULE-4468431509 [0,1,0,0,0,1|2,0,0]=4 2535 B9R1.22 C=CN1CC(OC1=O)C MCULE-3752290427 [0,2,0,0,0,0|1,0,0]=3 2536 B9R1.22 CCN1CC(CC1=O)N MCULE-3399064439 [0,2,0,0,0,0|2,0,0]=4 2537 B9R1.22 CCN1CC(CC1=O)N MCULE-9447237222 [0,2,0,0,0,0|2,0,0]=4 2538 B9R1.22 CCN1CC(CC1=O)O MCULE-3389024209 [0,2,0,0,0,0|2,0,0]=4 2539 B9R1.22 CCN1C[C@H](CC1=O)O MCULE-9379641102 [0,2,0,0,0,0|2,0,0]=4 2540 B9R1.24 CCN1CCOS1(=O)=O MCULE-8041670375 [0,2,0,0,0,0|2,0,0]=4 2541 B9R1.33 C#CCN1CCCC1=O MCULE-2593192702 [0,2,0,0,0,0|2,0,0]=4 2542 B9R1.33 C#CCN1CCNC1=O MCULE-6844168920 [0,2,0,0,0,0|2,0,0]=4 2543 B9R1.33 C#CCN1CCOC1=O MCULE-4648067433 [0,2,0,0,0,0|1,0,0]=3 2544 B9R1.33 C=CCN1CCCC1=O MCULE-5813823289 [0,2,0,0,0,0|2,0,0]=4 2545 B9R1.33 C=CCN1CCNC1=O MCULE-9048630937 [0,2,0,0,0,0|2,0,0]=4 2546 B9R1.33 CCCN1CCCC1=O MCULE-4645322719 [0,2,0,0,0,0|2,0,0]=4 2547 B9R1.33 CCNC1CCNC1=O MCULE-2074854228 [0,2,0,0,0,0|2,0,0]=4 2548 B9R1.33 CCNC1CCNC1=O MCULE-3586994660 [0,2,0,0,0,0|2,0,0]=4 2549 B9R1.33 CCSC1CCOC1=O MCULE-2036311028 [0,2,0,0,0,0|2,0,0]=4 2550 B9R1.33 N#CCN1CCCC1=O MCULE-7806752058 [0,2,0,0,0,0|1,0,1]=4 2551 B9R1.33 N#N=NC1CCOC1=O MCULE-3350288682 [0,2,0,0,0,0|1,0,1]=4 2552 B9R1.33 NCCN1CCCC1=O MCULE-4385413489 [0,2,0,0,0,0|1,0,0]=3 2553 B9R1.33 NCCN1CCCC1=O MCULE-6558299461 [0,2,0,0,0,0|1,0,0]=3 2554 B9R1.33 NCCN1CCCC1=O MCULE-8578984383 [0,2,0,0,0,0|1,0,0]=3 2555 B9R1.33 NCCN1CCNC1=O MCULE-8206548892 [0,2,0,0,0,0|1,0,0]=3 2556 B9R1.33 NCCN1CCNC1=S MCULE-4291937253 [0,2,0,0,0,0|1,1,0]=4 2557 B9R1.33 NCCN1CCOC1=O MCULE-2249111154 [0,2,0,0,0,0|0,0,0]=2 2558 B9R1.33 NCCN1CCOC1=O MCULE-5564763400 [0,2,0,0,0,0|0,0,0]=2 2559 B9R1.33 O=C1CCCN1C=CI MCULE-8124153384 [0,2,0,0,0,0|2,0,0]=4 2560 B9R1.33 O=C1CCCN1CCBr MCULE-8609405083 [0,2,0,0,0,0|2,0,0]=4 2561 B9R1.33 O=C1CCCN1CCCl MCULE-2170579993 [0,2,0,0,0,0|2,0,0]=4 2562 B9R1.33 O=C1CCCN1CCI MCULE-5597930583 [0,2,0,0,0,0|2,0,0]=4 2563 B9R1.33 O=C1CCCN1CCO MCULE-7117687978 [0,2,0,0,0,0|2,0,0]=4 2564 B9R1.33 O=C1NCCN1CCBr MCULE-8311634228 [0,2,0,0,0,0|2,0,0]=4 2565 B9R1.33 O=C1NCCN1CCCl MCULE-8605766746 [0,2,0,0,0,0|2,0,0]=4 2566 B9R1.33 O=C1NCCN1CCO MCULE-9247043792 [0,2,0,0,0,0|2,0,0]=4 2567 B9R1.33 O=C1OCCC1CCBr MCULE-8450575724 [0,2,0,0,0,0|2,0,0]=4 2568 B9R1.33 O=C1OCCC1N=C=S MCULE-8241692884 [0,2,0,0,0,0|1,0,1]=4 2569 B9R1.33 O=C1OCCN1CCBr MCULE-7101781971 [0,2,0,0,0,0|1,0,0]=3 2570 B9R1.33 O=C1OCCN1CCCl MCULE-4112525203 [0,2,0,0,0,0|1,0,0]=3 2571 B9R1.33 O=C1OCCN1CCO MCULE-9126918441 [0,2,0,0,0,0|1,0,0]=3 2572 B9R1.41 CC(=O)C1CCOC1=O MCULE-4236075888 [0,2,0,0,0,0|2,0,0]=4 2573 B9R1.41 CC(=O)N1CCCC1=O MCULE-3328735907 [0,2,0,0,0,0|2,0,0]=4 2574 B9R1.41 CC(=O)N1CCNC1=O MCULE-9582889409 [0,2,0,0,0,0|2,0,0]=4 2575 B9R1.41 CC(=O)N1CCOC1=O MCULE-6944210144 [0,2,0,0,0,0|1,0,0]=3 2576 B9R1.41 CC(C)N1CCCC1=O MCULE-9119033242 [0,2,0,0,0,0|2,0,0]=4 2577 B9R1.41 CC(C)N1CCNC1=O MCULE-1546837295 [0,2,0,0,0,0|2,0,0]=4 2578 B9R1.41 CC(C)N1CCOC1=O MCULE-9080716253 [0,2,0,0,0,0|1,0,0]=3 2579 B9R1.41 CN(C)C1CCNC1=O MCULE-9030611073 [0,2,0,0,0,0|2,0,0]=4 2580 B9R1.41 N=C(N)N1CCCC1=O MCULE-2949809967 [0,2,0,0,0,0|1,0,0]=3 2581 B9R1.41 N=C(N)N1CCCC1=O MCULE-3208253060 [0,2,0,0,0,0|1,0,0]=3 2582 B9R1.41 NC(=O)C1CCCC1=O MCULE-2399127943 [0,2,0,0,0,0|2,0,0]=4 2583 B9R1.41 NC(=O)N1CCCC1=O MCULE-5194166141 [0,2,0,0,0,0|1,0,0]=3 2584 B9R1.41 NC1=C(CCC1)C(=O)O MCULE-9287668193 [0,2,0,0,0,0|2,0,0]=4 2585 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [0,2,0,0,0,0|1,0,1]=4 2586 B9R1.41 O=C(Cl)N1CCCC1=O MCULE-4360774967 [0,2,0,0,0,0|2,0,0]=4 2587 B9R1.41 O=C(Cl)N1CCNC1=O MCULE-6015702584 [0,2,0,0,0,0|2,0,0]=4 2588 B9R1.41 O=C(Cl)N1CCOC1=O MCULE-2077780134 [0,2,0,0,0,0|1,0,0]=3 2589 B9R1.41 O=C(O)C1CCOC1=O MCULE-1545162383 [0,2,0,0,0,0|2,0,0]=4 2590 B9R1.41 O=C(O)N1CCNC1=O MCULE-2423498210 [0,2,0,0,0,0|2,0,0]=4 2591 B9R1.41 O=C(O)N1CCOC1=O MCULE-1134006173 [0,2,0,0,0,0|1,0,0]=3 2592 B9R1.132 CCN1CCC(=O)C1=O MCULE-7001636786 [0,2,0,0,0,0|2,0,0]=4 2593 B9R1.132 CCN1CCC(C1=O)Br MCULE-9719570091 [0,2,0,0,0,0|2,0,0]=4 2594 B9R1.132 CCN1CCC(C1=O)N MCULE-1999772787 [0,2,0,0,0,0|2,0,0]=4 2595 B9R1.132 CCN1CCC(C1=O)N MCULE-9509776424 [0,2,0,0,0,0|2,0,0]=4 2596 B9R1.132 CN1C(=O)CCC1C#N MCULE-7353146419 [0,2,0,0,0,0|2,0,0]=4 2597 B9R1.132 CN1C(=O)CCC1CBr MCULE-9411477362 [0,2,0,0,0,0|2,0,0]=4 2598 B9R1.132 CN1C(=O)CCC1CN MCULE-5871779409 [0,2,0,0,0,0|2,0,0]=4 2599 B9R1.132 CN1C(=O)CCC1CN MCULE-8080412333 [0,2,0,0,0,0|2,0,0]=4 2600 B9R1.132 CN1C(=O)CCC1CO MCULE-1191755112 [0,2,0,0,0,0|2,0,0]=4 2601 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-8818444582 [0,2,0,0,0,0|2,0,0]=4 2602 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-9421193159 [0,2,0,0,0,0|2,0,0]=4 2603 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-3774785586 [0,2,0,0,0,0|2,0,0]=4 2604 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-6918454394 [0,2,0,0,0,0|2,0,0]=4 2605 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-2222415070 [0,2,0,0,0,0|2,0,0]=4 2606 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-5580238692 [0,2,0,0,0,0|2,0,0]=4 2607 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-2827633861 [0,2,0,0,0,0|2,0,0]=4 2608 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-6009129420 [0,2,0,0,0,0|2,0,0]=4 2609 B9R1.132 CN1C(=O)OCC1CN MCULE-6042520549 [0,2,0,0,0,0|1,0,0]=3 2610 B9R1.132 CN1C(=O)OCC1CO MCULE-8007610205 [0,2,0,0,0,0|1,0,0]=3 2611 B9R1.132 CN1CCC(C1=O)CBr MCULE-8667401871 [0,2,0,0,0,0|2,0,0]=4 2612 B9R1.132 CN1CCC(C1=O)CN MCULE-3996325305 [0,2,0,0,0,0|2,0,0]=4 2613 B9R1.132 CN1CCC(C1=O)CN MCULE-9896294945 [0,2,0,0,0,0|2,0,0]=4 2614 B9R1.132 CN1CCC(C1=O)CO MCULE-4783255632 [0,2,0,0,0,0|2,0,0]=4 2615 B9R1.132 CNC1CCN(C1=O)C MCULE-2844752612 [0,2,0,0,0,0|2,0,0]=4 2616 B9R1.132 CNC1CCN(C1=O)C MCULE-8513818149 [0,2,0,0,0,0|2,0,0]=4 2617 B9R1.132 CON1CCC(C1=O)Br MCULE-3657650268 [0,2,0,0,0,0|2,0,0]=4 2618 B9R1.132 CON1CCN(C1=O)N MCULE-1725039629 [0,2,0,0,0,0|1,0,0]=3 2619 B9R1.132 CON1CCN(C1=O)N MCULE-3679154528 [0,2,0,0,0,0|1,0,0]=3 2620 B9R1.23 CN1CC(CC1=O)C#N MCULE-7427652166 [0,2,0,0,0,0|2,0,0]=4 2621 B9R1.23 CN1CC(CC1=O)C=O MCULE-7956490044 [0,2,0,0,0,0|2,0,0]=4 2622 B9R1.23 CN1CC(CC1=O)CBr MCULE-7453728228 [0,2,0,0,0,0|2,0,0]=4 2623 B9R1.23 CN1CC(CC1=O)CCl MCULE-8799305574 [0,2,0,0,0,0|2,0,0]=4 2624 B9R1.23 CN1CC(CC1=O)CI MCULE-6797145294 [0,2,0,0,0,0|2,0,0]=4 2625 B9R1.23 CN1CC(CC1=O)CN MCULE-4610214501 [0,2,0,0,0,0|2,0,0]=4 2626 B9R1.23 CN1CC(CC1=O)CN MCULE-5425833484 [0,2,0,0,0,0|2,0,0]=4 2627 B9R1.23 CN1CC(CC1=O)CN MCULE-7603285273 [0,2,0,0,0,0|2,0,0]=4 2628 B9R1.23 CN1CC(CC1=O)CO MCULE-9935755485 [0,2,0,0,0,0|2,0,0]=4 2629 B9R1.23 CN1CC(OC1=O)CBr MCULE-4776102856 [0,2,0,0,0,0|1,0,0]=3 2630 B9R1.23 CN1CC(OC1=O)CO MCULE-5538633197 [0,2,0,0,0,0|1,0,0]=3 2631 B9R1.23 CN1C[C@@H](OC1=O)CBr MCULE-3550491195 [0,2,0,0,0,0|1,0,0]=3 2632 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4135827262 [0,2,0,0,0,0|1,0,0]=3 2633 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4222195719 [0,2,0,0,0,0|1,0,0]=3 2634 B9R1.23 CN1C[C@H](CC1=O)CN MCULE-2488884693 [0,2,0,0,0,0|2,0,0]=4 2635 B9R1.23 CN1C[C@H](CC1=O)CN MCULE-3111089731 [0,2,0,0,0,0|2,0,0]=4 2636 B9R1.23 CN1C[C@H](CC1=O)CO MCULE-7091140885 [0,2,0,0,0,0|2,0,0]=4 2637 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-1843344905 [0,2,0,0,0,0|1,0,0]=3 2638 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-7113883697 [0,2,0,0,0,0|1,0,0]=3 2639 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-5673899033 [0,2,0,0,0,0|1,0,0]=3 2640 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-7788246551 [0,2,0,0,0,0|1,0,0]=3 2641 B9R1.23 CNC1CC(=O)N(C1)C MCULE-9621015704 [0,2,0,0,0,0|2,0,0]=4 2642 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-7823096614 [0,2,0,0,0,0|1,0,0]=3 2643 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-8973330971 [0,2,0,0,0,0|1,0,0]=3 2644 B9R1.37 C1(C(=O)OC(=O)N1C)C MCULE-3598751334 [0,2,0,0,0,0|1,0,1]=4 2645 B9R1.37 CC1C(=O)OC(=O)N1C MCULE-1864135953 [0,2,0,0,0,0|1,0,1]=4 2646 B9R1.37 CC1C(CC(=O)N1C)O MCULE-1269195673 [0,2,0,0,0,0|2,0,0]=4 2647 B9R1.37 CC1CN(C(=O)C1N)O MCULE-1541937372 [0,2,0,0,0,0|2,0,0]=4 2648 B9R1.37 CC1CN(C(=O)C1N)O MCULE-3876251131 [0,2,0,0,0,0|2,0,0]=4 2649 B9R1.37 CC1CN(C(=O)N1C)C MCULE-3316581073 [0,2,0,0,0,0|2,0,0]=4 2650 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [0,2,0,0,0,0|2,0,0]=4 2651 B9R1.37 CN1CC(=O)N(C1=O)N MCULE-1002182902 [0,2,0,0,0,0|1,0,1]=4 2652 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-4681877546 [0,2,0,0,0,0|1,0,1]=4 2653 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-6732719128 [0,2,0,0,0,0|1,0,1]=4 2654 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-1789519376 [0,2,0,0,0,0|2,0,0]=4 2655 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-4750685085 [0,2,0,0,0,0|2,0,0]=4 2656 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7635519729 [0,2,0,0,0,0|2,0,0]=4 2657 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7984264167 [0,2,0,0,0,0|2,0,0]=4 2658 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8015807838 [0,2,0,0,0,0|2,0,0]=4 2659 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8810381823 [0,2,0,0,0,0|2,0,0]=4 2660 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1I)O MCULE-8523724511 [0,2,0,0,0,0|2,0,0]=4 2661 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [0,2,0,0,0,0|2,0,0]=4 2662 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-7917103150 [0,2,0,0,0,0|1,0,1]=4 2663 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-9101652594 [0,2,0,0,0,0|1,0,1]=4 2664 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6099115683 [0,2,0,0,0,0|2,0,0]=4 2665 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6659955179 [0,2,0,0,0,0|2,0,0]=4 2666 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O MCULE-6247915400 [0,2,0,0,0,0|2,0,0]=4 2667 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O MCULE-6635734630 [0,2,0,0,0,0|2,0,0]=4 2668 B9R1.138 CC1(CNC(=O)C1N)C MCULE-8991613475 [0,2,0,0,0,0|2,0,0]=4 2669 B9R1.138 CC1(COC(=O)C1=O)C MCULE-2752948754 [0,2,0,0,0,0|2,0,0]=4 2670 B9R1.138 CC1(COC(=O)C1N)C MCULE-1682618419 [0,2,0,0,0,0|1,0,0]=3 2671 B9R1.138 CC1(COC(=O)C1N)C MCULE-3128113500 [0,2,0,0,0,0|1,0,0]=3 2672 B9R1.138 CC1(COC(=O)C1O)C MCULE-1379755407 [0,2,0,0,0,0|2,0,0]=4 2673 B9R1.138 CC1(COC(=O)C1O)C MCULE-2206761895 [0,2,0,0,0,0|2,0,0]=4 2674 B9R1.138 CC1(COC(=O)[C@@H]1O)C MCULE-1523390021 [0,2,0,0,0,0|2,0,0]=4 2675 B9R1.138 CC1(COC(=O)[C@@H]1O)C MCULE-6977613194 [0,2,0,0,0,0|2,0,0]=4 2676 B9R1.138 CC1(COC(=O)[C@H]1O)C MCULE-3908533499 [0,2,0,0,0,0|2,0,0]=4 2677 B9R1.138 CC1(COC(=O)[C@H]1O)C MCULE-4242205405 [0,2,0,0,0,0|2,0,0]=4 2678 B9R1.138 CC1(CSC(=O)C1N)C MCULE-5995445974 [0,2,0,0,0,0|1,1,0]=4 2679 B9R1.138 CC1(CSC(=O)C1N)C MCULE-9718071604 [0,2,0,0,0,0|1,1,0]=4 2680 B9R1.138 CN1C(=O)OCC1(C)C MCULE-4308184185 [0,2,0,0,0,0|1,0,0]=3 2681 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [0,0,1,1,0,0|2,0,0]=4 2682 B7R1.3 NN1CCOCC1 MCULE-8277539965 [0,0,1,1,0,0|1,0,1]=4 2683 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,0,1,1,0,0|2,0,0]=4 2684 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [0,0,1,1,0,0|2,0,0]=4 2685 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,0,1,1,0,0|2,0,0]=4 2686 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,0,1,1,0,0|2,0,0]=4 2687 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,0,1,1,0,0|2,0,0]=4 2688 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,0,1,1,0,0|2,0,0]=4 2689 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,0,1,1,0,0|1,0,0]=3 2690 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,0,1,1,0,0|1,0,0]=3 2691 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,0,1,1,0,0|2,0,0]=4 2692 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [0,0,1,1,0,0|2,0,0]=4 2693 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,0,1,1,0,0|1,0,0]=3 2694 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,0,1,1,0,0|0,0,0]=2 2695 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,0,1,1,0,0|2,0,0]=4 2696 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [0,0,1,1,0,0|1,1,0]=4 2697 B7R1.22 CN(C=O)C1CC1 MCULE-4185514369 [0,0,1,1,0,0|2,0,0]=4 2698 B7R1.22 CNC(=O)C1CC1 MCULE-5799863193 [0,0,1,1,0,0|2,0,0]=4 2699 B7R1.22 N=C(NN)C1CC1 MCULE-3706372467 [0,0,1,1,0,0|2,0,0]=4 2700 B7R1.22 NCC(=O)C1CC1 MCULE-1927654168 [0,0,1,1,0,0|2,0,0]=4 2701 B7R1.22 NCC(=O)C1CC1 MCULE-4415662894 [0,0,1,1,0,0|2,0,0]=4 2702 B7R1.22 NNC(=O)C1CC1 MCULE-3608531301 [0,0,1,1,0,0|1,0,0]=3 2703 B7R1.22 O=C(NO)C1CC1 MCULE-2299815322 [0,0,1,1,0,0|2,0,0]=4 2704 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,1,1,0,0|2,0,0]=4 2705 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,1,1,0,0|2,0,0]=4 2706 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,1,1,0,0|2,0,0]=4 2707 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,1,1,0,0|2,0,0]=4 2708 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,1,1,0,0|2,0,0]=4 2709 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,1,1,0,0|2,0,0]=4 2710 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,1,1,0,0|2,0,0]=4 2711 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,1,1,0,0|2,0,0]=4 2712 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,1,1,0,0|2,0,0]=4 2713 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,1,1,0,0|2,0,0]=4 2714 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,1,1,0,0|2,0,0]=4 2715 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,1,1,0,0|1,0,0]=3 2716 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [0,0,1,1,0,0|2,0,0]=4 2717 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,1,1,0,0|2,0,0]=4 2718 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,1,1,0,0|2,0,0]=4 2719 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [0,0,1,1,0,0|2,0,0]=4 2720 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,1,1,0,0|2,0,0]=4 2721 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [0,0,1,1,0,0|2,0,0]=4 2722 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,0,1,1,0,0|2,0,0]=4 2723 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,0,1,1,0,0|2,0,0]=4 2724 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,1,1,0,0|1,0,0]=3 2725 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,1,1,0,0|1,0,0]=3 2726 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,1,1,0,0|1,0,0]=3 2727 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,0,1,1,0,0|2,0,0]=4 2728 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,0,1,1,0,0|2,0,0]=4 2729 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,1,1,0,0|1,0,0]=3 2730 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,1,1,0,0|1,0,0]=3 2731 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,1,1,0,0|1,0,0]=3 2732 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,1,1,0,0|1,0,0]=3 2733 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,0,1,1,0,0|2,0,0]=4 2734 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,0,1,1,0,0|2,0,0]=4 2735 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,1,1,0,0|1,0,0]=3 2736 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,1,1,0,0|1,0,0]=3 2737 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,1,1,0,0|1,0,0]=3 2738 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,1,1,0,0|1,0,0]=3 2739 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,0,1,1,0,0|2,0,0]=4 2740 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,0,1,1,0,0|2,0,0]=4 2741 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,0,1,1,0,0|2,0,0]=4 2742 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,0,1,1,0,0|2,0,0]=4 2743 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,0,1,1,0,0|2,0,0]=4 2744 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,0,1,1,0,0|2,0,0]=4 2745 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,0,1,1,0,0|2,0,0]=4 2746 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,0,1,1,0,0|2,0,0]=4 2747 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,0,1,1,0,0|2,0,0]=4 2748 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,0,1,1,0,0|1,0,0]=3 2749 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,0,1,1,0,0|1,0,0]=3 2750 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,0,1,1,0,0|2,0,0]=4 2751 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,0,1,1,0,0|2,0,0]=4 2752 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,0,1,1,0,0|2,0,0]=4 2753 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,0,1,1,0,0|2,0,0]=4 2754 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,0,1,1,0,0|2,0,0]=4 2755 B7R1.24 C1COCCNN1 MCULE-5237837037 [0,0,1,1,0,0|1,0,1]=4 2756 B7R1.24 C1COCCNN1 MCULE-6195400312 [0,0,1,1,0,0|1,0,1]=4 2757 B7R1.24 C1COCCNN1 MCULE-8018224954 [0,0,1,1,0,0|1,0,1]=4 2758 B9R2.8 O=C1CC2CC(C1)N2 MCULE-3666889878 [0,0,0,1,0,1|2,0,0]=4 2759 B9R2.25 NC1=NC(=O)N2C1C2 MCULE-5660903088 [0,0,0,1,0,1|2,0,0]=4 2760 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,1,0,1|2,0,0]=4 2761 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,1,0,1|2,0,0]=4 2762 B9R2.39 O=C1CN2CCC1C2 MCULE-2930167084 [0,0,0,1,0,1|2,0,0]=4 2763 B9R2.39 O=C1CN2CCC1C2 MCULE-6962814008 [0,0,0,1,0,1|2,0,0]=4 2764 B9R2.39 [C@H]12CCN(C1)CC2=O MCULE-4642920839 [0,0,0,1,0,1|2,0,0]=4 2765 B9R2.19 O=C1NCC2CC1N2 MCULE-4322893965 [0,0,0,1,0,1|2,0,0]=4 2766 B9R2.5 O=C1OCCC12CC2 MCULE-6263987451 [0,1,0,1,0,0|2,0,0]=4 2767 B9R2.5 O=C1OCCC12CO2 MCULE-2333540011 [0,1,0,1,0,0|2,0,0]=4 2768 B9R2.20 O=C1OCC2C1CC2 MCULE-4454485399 [0,1,0,1,0,0|2,0,0]=4 2769 B9R2.20 O=C1OC[C@@H]2[C@@H]1CC2 MCULE-8016618193 [0,1,0,1,0,0|2,0,0]=4 2770 B5R1.2 BrC1=CCC1 MCULE-7839710306 [1,0,0,0,1,0|2,0,0]=4 2771 B5R1.2 C=C1CCC1 MCULE-8318650413 [1,0,0,0,1,0|2,0,0]=4 2772 B5R1.2 CC1CCN1 MCULE-7952714343 [1,0,0,0,1,0|1,0,1]=4 2773 B5R1.2 CC1CCN1 MCULE-9084374728 [1,0,0,0,1,0|1,0,1]=4 2774 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [1,0,0,0,1,0|1,0,1]=4 2775 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [1,0,0,0,1,0|1,0,1]=4 2776 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [1,0,0,0,1,0|1,0,1]=4 2777 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [1,0,0,0,1,0|1,0,1]=4 2778 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [1,0,0,0,1,0|1,0,1]=4 2779 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [1,0,0,0,1,0|1,0,1]=4 2780 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [1,0,0,0,1,0|1,0,1]=4 2781 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [1,0,0,0,1,0|1,0,1]=4 2782 B5R1.2 NC1CCC1 MCULE-7511834789 [1,0,0,0,1,0|1,0,1]=4 2783 B5R1.2 NC1CCC1 MCULE-9118406840 [1,0,0,0,1,0|1,0,1]=4 2784 B5R1.2 NC1COC1 MCULE-3457998413 [1,0,0,0,1,0|1,0,1]=4 2785 B5R1.2 NC1COC1 MCULE-8439862131 [1,0,0,0,1,0|1,0,1]=4 2786 B5R1.2 NN1CCC1 MCULE-8176731673 [1,0,0,0,1,0|0,0,1]=3 2787 B5R1.2 NN1CCC1 MCULE-8382619719 [1,0,0,0,1,0|0,0,1]=3 2788 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,0,1,0|1,0,0]=3 2789 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,0,1,0|0,0,0]=2 2790 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,0,1,0|0,0,0]=2 2791 B5R1.2 O=C1CNC1 MCULE-5171659870 [1,0,0,0,1,0|2,0,0]=4 2792 B5R1.2 O=C1CNC1 MCULE-8293494956 [1,0,0,0,1,0|2,0,0]=4 2793 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,0,1,0|2,0,0]=4 2794 B5R1.2 O=C1CSC1 MCULE-4436071261 [1,0,0,0,1,0|2,0,0]=4 2795 B9R1.48 CN1CCCNC(=O)C1 MCULE-9846049599 [0,0,0,0,0,2|2,0,0]=4 2796 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,0,0,0,0,2|2,0,0]=4 2797 B9R1.49 CN1CCCC(=O)CC1 MCULE-1607887623 [0,0,0,0,0,2|2,0,0]=4 2798 B9R1.49 CN1CCCC(=O)CC1 MCULE-9380092932 [0,0,0,0,0,2|2,0,0]=4 2799 B9R1.49 CN1CCNC(=O)CC1 MCULE-4386852783 [0,0,0,0,0,2|2,0,0]=4 2800 B9R1.49 CN1CCNC(=O)CC1 MCULE-7599377981 [0,0,0,0,0,2|2,0,0]=4 2801 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,0,0,0,0,2|2,0,0]=4 2802 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,0,0,0,0,2|2,0,0]=4 2803 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,0,0,0,0,2|2,0,0]=4 2804 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,0,0,0,0,2|2,0,0]=4 2805 B9R1.5 CN1CCCCCC1=O MCULE-7241062208 [0,0,0,0,0,2|2,0,0]=4 2806 B9R1.5 CN1CCCNCC1=O MCULE-4819094676 [0,0,0,0,0,2|2,0,0]=4 2807 B9R1.5 CN1CCCNCC1=O MCULE-6447746902 [0,0,0,0,0,2|2,0,0]=4 2808 B9R1.5 CN1CCNCCC1=O MCULE-1207431519 [0,0,0,0,0,2|2,0,0]=4 2809 B9R1.5 CN1CCNCCC1=O MCULE-1443179415 [0,0,0,0,0,2|2,0,0]=4 2810 B9R1.5 CN1CCNCCC1=O MCULE-9661921457 [0,0,0,0,0,2|2,0,0]=4 2811 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [0,0,0,0,0,2|2,0,0]=4 2812 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [0,0,0,0,0,2|2,0,0]=4 2813 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [0,0,0,0,0,2|2,0,0]=4 2814 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [0,0,0,0,0,2|2,0,0]=4 2815 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [0,0,0,0,0,2|2,0,0]=4 2816 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [0,0,0,0,0,2|2,0,0]=4 2817 B9R1.5 NC1CSCCNC1=O MCULE-7770173405 [0,0,0,0,0,2|2,0,0]=4 2818 B9R1.5 NC1CSCCNC1=O MCULE-9983094521 [0,0,0,0,0,2|2,0,0]=4 2819 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [0,0,0,0,0,2|2,0,0]=4 2820 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [0,0,0,0,0,2|2,0,0]=4 2821 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [0,0,0,0,0,2|2,0,0]=4 2822 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [0,0,0,0,0,2|2,0,0]=4 2823 B9R1.5 N[C@@H]1COCCNC1=O MCULE-1477215870 [0,0,0,0,0,2|2,0,0]=4 2824 B9R1.5 N[C@@H]1COCCNC1=O MCULE-2338970221 [0,0,0,0,0,2|2,0,0]=4 2825 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-1397409442 [0,0,0,0,0,2|2,0,0]=4 2826 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-7600788919 [0,0,0,0,0,2|2,0,0]=4 2827 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [0,0,0,0,0,2|2,0,0]=4 2828 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [0,0,0,0,0,2|2,0,0]=4 2829 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [0,0,0,0,0,2|2,0,0]=4 2830 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [0,0,0,0,0,2|2,0,0]=4 2831 B9R1.5 N[C@H]1COCCNC1=O MCULE-2013857076 [0,0,0,0,0,2|2,0,0]=4 2832 B9R1.5 N[C@H]1COCCNC1=O MCULE-4948373035 [0,0,0,0,0,2|2,0,0]=4 2833 B9R1.5 N[C@H]1COCCNC1=O MCULE-6232646531 [0,0,0,0,0,2|2,0,0]=4 2834 B9R1.5 N[C@H]1COCCNC1=O MCULE-7847351792 [0,0,0,0,0,2|2,0,0]=4 2835 B9R1.5 N[C@H]1CSCCNC1=O MCULE-4925355772 [0,0,0,0,0,2|2,0,0]=4 2836 B9R1.5 N[C@H]1CSCCNC1=O MCULE-6049507227 [0,0,0,0,0,2|2,0,0]=4 2837 B9R1.5 N[C@H]1CSCCNC1=O MCULE-8145988653 [0,0,0,0,0,2|2,0,0]=4 2838 B9R1.5 O=C1CCCCCN1Br MCULE-9229859393 [0,0,0,0,0,2|2,0,0]=4