0 B7R1.4 BrC1=C(C=CS1)I MCULE-7141297814 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 BrC1=C(NC=N1)Br MCULE-2857283682 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 BrC1=C(OC=C1)Br MCULE-7426166356 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.4 BrC1=C(OC=C1)I MCULE-5137662121 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.4 BrC1=C(SC=C1)Br MCULE-8784672229 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.4 BrC1=C(SC=C1)I MCULE-2413290381 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.4 CC1=C(C=CO1)Br MCULE-5272760073 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.4 CC1=C(C=CO1)N MCULE-8304976100 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.4 CC1=C(C=CO1)S MCULE-3331659980 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.4 CC1=C(C=CO1)S MCULE-8172133853 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.4 CC1=C(C=CS1)Br MCULE-6374195818 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.4 CC1=C(C=CS1)Cl MCULE-9362082266 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.4 CC1=C(C=CS1)N MCULE-4152889855 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.4 CC1=C(C=CS1)N MCULE-4377439924 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.4 CC1=C(N=CN1)Br MCULE-4822078952 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.4 CC1=C(N=CO1)Br MCULE-5720800030 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.4 CC1=C(N=CO1)Br MCULE-6592849789 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.4 CC1=C(N=CS1)Br MCULE-3598899188 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.4 CC1=C(N=CS1)N MCULE-4599689544 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.4 CC1=C(N=CS1)N MCULE-6109505951 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.4 CC1=C(NC=N1)C MCULE-3430810073 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.4 CC1=C(NC=N1)C MCULE-5193092074 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.4 CC1=C(NC=N1)C MCULE-6091617996 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.4 CC1=C(NC=N1)Cl MCULE-6148548368 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.4 CC1=C(NC=N1)I MCULE-1624555725 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.4 CC1=C(NC=N1)N MCULE-8683874466 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.4 CC1=C(NC=N1)N MCULE-9896966586 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.4 CC1=C(NN=C1)I MCULE-3870859467 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.4 CC1=C(NN=C1)N MCULE-6982113158 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.4 CC1=C(NN=N1)Br MCULE-8959850160 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.4 CC1=C(NN=N1)N MCULE-7803998722 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.4 CC1=C(NN=N1)N MCULE-8229951168 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.4 CC1=C(OC=C1)Br MCULE-4484142471 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.4 CC1=C(OC=N1)Br MCULE-1847779575 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.4 CC1=C(OC=N1)Br MCULE-6842310823 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.4 CC1=C(OC=N1)C MCULE-6212214015 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.4 CC1=C(OC=N1)N MCULE-5764234577 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.4 CC1=C(ON=C1)C MCULE-2037233742 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.4 CC1=C(ON=C1)N MCULE-1189999644 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.4 CC1=C(SC=C1)Br MCULE-3746729659 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.4 CC1=C(SC=C1)C MCULE-6742776055 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.4 CC1=C(SC=C1)Cl MCULE-4683627316 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.4 CC1=C(SC=C1)I MCULE-4074297086 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.4 CC1=C(SC=C1)S MCULE-6807943440 [0,0,0,0,0,0|2,0,1]=3 46 B7R1.4 CC1=C(SC=N1)Br MCULE-8419392309 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.4 CC1=C(SC=N1)C MCULE-4501873392 [0,0,0,0,0,0|3,0,1]=4 48 B7R1.4 CC1=C(SC=N1)N MCULE-1396035800 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.4 CC1=C(SC=N1)N MCULE-3965111306 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.4 CC1=C(SN=C1)Br MCULE-7236338600 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.4 CC1=CC=CN1C MCULE-7997774693 [0,0,0,0,0,0|2,0,0]=2 52 B7R1.4 CC1=CC=NN1C MCULE-9285969175 [0,0,0,0,0,0|3,0,0]=3 53 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,0,0,0,0,0|2,1,1]=4 54 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,0,0,0,0,0|2,1,1]=4 55 B7R1.4 CC1=CN=CN1C MCULE-8637470675 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.4 CC1=CNC=C1C MCULE-4758724479 [0,0,0,0,0,0|4,0,0]=4 57 B7R1.4 CC1=CNN=C1Br MCULE-6589056167 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.4 CC1=CNN=C1C MCULE-2020565239 [0,0,0,0,0,0|3,0,1]=4 59 B7R1.4 CC1=CNN=C1C MCULE-5379672633 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.4 CC1=CNN=C1C MCULE-8376501296 [0,0,0,0,0,0|3,0,1]=4 61 B7R1.4 CC1=CNN=C1Cl MCULE-3631106854 [0,0,0,0,0,0|3,0,1]=4 62 B7R1.4 CC1=CNN=C1N MCULE-4529381336 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [0,0,0,0,0,0|2,1,0]=3 64 B7R1.4 CC1=COC=C1Br MCULE-5316317633 [0,0,0,0,0,0|4,0,0]=4 65 B7R1.4 CC1=CON=C1Br MCULE-8042592335 [0,0,0,0,0,0|3,0,1]=4 66 B7R1.4 CC1=CON=C1N MCULE-6766602702 [0,0,0,0,0,0|3,0,1]=4 67 B7R1.4 CC1=CSC=C1Br MCULE-5733157832 [0,0,0,0,0,0|4,0,0]=4 68 B7R1.4 CC1=CSC=C1C MCULE-2505833521 [0,0,0,0,0,0|4,0,0]=4 69 B7R1.4 CC1=CSC=C1N MCULE-2229858743 [0,0,0,0,0,0|4,0,0]=4 70 B7R1.4 CC1=CSC=C1N MCULE-9678851280 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.4 CC1=CSC=C1N MCULE-9850701502 [0,0,0,0,0,0|4,0,0]=4 72 B7R1.4 CC1=CSN=C1Br MCULE-7851943835 [0,0,0,0,0,0|3,0,1]=4 73 B7R1.4 CC1=NC=CN1C MCULE-6619799827 [0,0,0,0,0,0|1,0,1]=2 74 B7R1.4 CC1=NC=CN1N MCULE-7103111251 [0,0,0,0,0,0|2,0,1]=3 75 B7R1.4 CC1=NN=CN1N MCULE-8780068025 [0,0,0,0,0,0|3,0,1]=4 76 B7R1.4 CC1=NN=CN1N MCULE-9538506326 [0,0,0,0,0,0|3,0,1]=4 77 B7R1.4 CC1=NN=NN1C MCULE-4049393322 [0,0,0,0,0,0|3,0,1]=4 78 B7R1.4 CC1=N[N-]SC1=S MCULE-9679091036 [0,0,0,0,0,0|4,0,0]=4 79 B7R1.4 CC1=N[N-]SC1=S MCULE-9735928122 [0,0,0,0,0,0|4,0,0]=4 80 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [0,0,0,0,0,0|2,1,0]=3 81 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,0,0,0,0,0|1,1,2]=4 82 B7R1.4 CN1C=CC=C1Cl MCULE-2760073099 [0,0,0,0,0,0|2,0,0]=2 83 B7R1.4 CN1C=CC=C1O MCULE-1520569878 [0,0,0,0,0,0|1,1,0]=2 84 B7R1.4 CN1C=CN=C1Br MCULE-7145092626 [0,0,0,0,0,0|1,0,1]=2 85 B7R1.4 CN1C=CN=C1Br MCULE-9624456848 [0,0,0,0,0,0|1,0,1]=2 86 B7R1.4 CN1C=CN=C1Br MCULE-9641055441 [0,0,0,0,0,0|1,0,1]=2 87 B7R1.4 CN1C=CN=C1Cl MCULE-2044150179 [0,0,0,0,0,0|1,0,1]=2 88 B7R1.4 CN1C=CN=C1F MCULE-8834010271 [0,0,0,0,0,0|1,0,1]=2 89 B7R1.4 CN1C=CN=C1I MCULE-7034235074 [0,0,0,0,0,0|1,0,1]=2 90 B7R1.4 CN1C=CN=C1N MCULE-2411967317 [0,0,0,0,0,0|1,0,1]=2 91 B7R1.4 CN1C=CN=C1N MCULE-3692285948 [0,0,0,0,0,0|1,0,1]=2 92 B7R1.4 CN1C=CN=C1S MCULE-9902292741 [0,0,0,0,0,0|0,0,2]=2 93 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [0,0,0,0,0,0|0,1,0]=1 94 B7R1.4 CN1C=CSC1=N MCULE-1912030151 [0,0,0,0,0,0|2,0,0]=2 95 B7R1.4 CN1C=CSC1=N MCULE-5071203135 [0,0,0,0,0,0|2,0,0]=2 96 B7R1.4 CN1C=NC=C1Br MCULE-4063775513 [0,0,0,0,0,0|3,0,0]=3 97 B7R1.4 CN1C=NC=C1Cl MCULE-7656904356 [0,0,0,0,0,0|3,0,0]=3 98 B7R1.4 CN1C=NC=C1I MCULE-2084832066 [0,0,0,0,0,0|3,0,0]=3 99 B7R1.4 CN1C=NC=C1N MCULE-2609753262 [0,0,0,0,0,0|3,0,0]=3 100 B7R1.4 CN1C=NC=C1N MCULE-2778216793 [0,0,0,0,0,0|3,0,0]=3 101 B7R1.4 CN1C=NC=C1N MCULE-2990193139 [0,0,0,0,0,0|3,0,0]=3 102 B7R1.4 CN1C=NC=C1N MCULE-9123603511 [0,0,0,0,0,0|3,0,0]=3 103 B7R1.4 CN1C=NN=C1Br MCULE-8529276148 [0,0,0,0,0,0|2,0,1]=3 104 B7R1.4 CN1C=NN=C1Cl MCULE-8626422493 [0,0,0,0,0,0|2,0,1]=3 105 B7R1.4 CN1C=NN=C1I MCULE-6965187060 [0,0,0,0,0,0|2,0,1]=3 106 B7R1.4 CN1C=NN=C1N MCULE-2833363716 [0,0,0,0,0,0|2,0,1]=3 107 B7R1.4 CN1C=NN=C1N MCULE-4445263768 [0,0,0,0,0,0|2,0,1]=3 108 B7R1.4 CN1C=NN=C1N MCULE-8779561450 [0,0,0,0,0,0|2,0,1]=3 109 B7R1.4 CN1C=NN=C1S MCULE-6696883748 [0,0,0,0,0,0|1,0,2]=3 110 B7R1.4 CN1C=NNC1=O MCULE-2122203722 [0,0,0,0,0,0|1,1,0]=2 111 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [0,0,0,0,0,0|1,1,1]=3 112 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,0,0,0,0,0|1,1,2]=4 113 B7R1.4 CN1CCCC1=S MCULE-1990879544 [0,0,0,0,0,0|1,0,2]=3 114 B7R1.4 CN1CCN=C1N MCULE-2837197751 [0,0,0,0,0,0|1,0,3]=4 115 B7R1.4 CN1CCN=C1N MCULE-3453498956 [0,0,0,0,0,0|1,0,3]=4 116 B7R1.4 CN1CCN=C1N MCULE-5148335318 [0,0,0,0,0,0|1,0,3]=4 117 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,0,0,0,0,0|0,1,2]=3 118 B7R1.4 CN1CCNC1=S MCULE-5960493935 [0,0,0,0,0,0|0,0,2]=2 119 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,0,0,0,0,0|1,1,2]=4 120 B7R1.4 CN1CCSC1=N MCULE-4301061048 [0,0,0,0,0,0|2,0,2]=4 121 B7R1.4 CN1CCSC1=N MCULE-6525392774 [0,0,0,0,0,0|2,0,2]=4 122 B7R1.4 CN1CCSC1=S MCULE-4468510205 [0,0,0,0,0,0|1,0,2]=3 123 B7R1.4 CN1CNCC1=O MCULE-2252466841 [0,0,0,0,0,0|2,1,1]=4 124 B7R1.4 CN1N=CC=C1Br MCULE-7101001570 [0,0,0,0,0,0|3,0,0]=3 125 B7R1.4 CN1N=CC=C1Cl MCULE-8962391076 [0,0,0,0,0,0|3,0,0]=3 126 B7R1.4 CN1N=CC=C1F MCULE-6023753197 [0,0,0,0,0,0|3,0,0]=3 127 B7R1.4 CN1N=CC=C1I MCULE-2407065536 [0,0,0,0,0,0|3,0,0]=3 128 B7R1.4 CN1N=CC=C1N MCULE-1453941617 [0,0,0,0,0,0|3,0,0]=3 129 B7R1.4 CN1N=CC=C1N MCULE-2315795709 [0,0,0,0,0,0|3,0,0]=3 130 B7R1.4 CN1N=CC=C1O MCULE-1012956210 [0,0,0,0,0,0|2,1,0]=3 131 B7R1.4 CN1N=CC=C1O MCULE-9024912006 [0,0,0,0,0,0|2,1,0]=3 132 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [0,0,0,0,0,0|2,1,0]=3 133 B7R1.4 CN1N=CN=C1Br MCULE-6069727899 [0,0,0,0,0,0|2,0,1]=3 134 B7R1.4 CN1N=CN=C1Cl MCULE-1080751182 [0,0,0,0,0,0|2,0,1]=3 135 B7R1.4 CN1N=CN=C1I MCULE-7677084001 [0,0,0,0,0,0|2,0,1]=3 136 B7R1.4 CN1N=CN=C1N MCULE-3817790062 [0,0,0,0,0,0|2,0,1]=3 137 B7R1.4 CN1N=NC=C1Br MCULE-5881566979 [0,0,0,0,0,0|4,0,0]=4 138 B7R1.4 CN1N=NC=C1I MCULE-4001982422 [0,0,0,0,0,0|4,0,0]=4 139 B7R1.4 CN1N=NC=C1N MCULE-4897577761 [0,0,0,0,0,0|4,0,0]=4 140 B7R1.4 CN1N=NC=C1S MCULE-8699842605 [0,0,0,0,0,0|3,0,1]=4 141 B7R1.4 CN1N=NN=C1Br MCULE-1254412115 [0,0,0,0,0,0|3,0,1]=4 142 B7R1.4 CN1N=NN=C1Cl MCULE-4981455746 [0,0,0,0,0,0|3,0,1]=4 143 B7R1.4 CN1N=NN=C1I MCULE-5040412884 [0,0,0,0,0,0|3,0,1]=4 144 B7R1.4 CN1N=NN=C1N MCULE-8119048357 [0,0,0,0,0,0|3,0,1]=4 145 B7R1.4 CN1N=NN=C1O MCULE-9112881853 [0,0,0,0,0,0|2,1,1]=4 146 B7R1.4 CN1N=NN=C1S MCULE-8861185464 [0,0,0,0,0,0|2,0,2]=4 147 B7R1.4 CN1N=NN=C1[S-] MCULE-6732830821 [0,0,0,0,0,0|2,0,2]=4 148 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [0,0,0,0,0,0|2,1,0]=3 149 B7R1.4 CN1NC=NC1=O MCULE-2476320995 [0,0,0,0,0,0|1,1,1]=3 150 B7R1.4 CN1SC=CC1=O MCULE-3887229553 [0,0,0,0,0,0|2,1,0]=3 151 B7R1.4 CN1SC=CC1=O MCULE-5825912822 [0,0,0,0,0,0|2,1,0]=3 152 B7R1.4 CN1SC=CC1=S MCULE-4327458448 [0,0,0,0,0,0|2,0,0]=2 153 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,0,0,0,0,0|1,1,2]=4 154 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,0,0,0,0,0|1,1,2]=4 155 B7R1.4 ClC1=C(C=CS1)Br MCULE-5904573808 [0,0,0,0,0,0|4,0,0]=4 156 B7R1.4 ClC1=C(N=CN1)Br MCULE-6503477051 [0,0,0,0,0,0|4,0,0]=4 157 B7R1.4 ClC1=C(NC=N1)Cl MCULE-1693582843 [0,0,0,0,0,0|4,0,0]=4 158 B7R1.4 ClC1=C(NN=C1)Br MCULE-6098869235 [0,0,0,0,0,0|4,0,0]=4 159 B7R1.4 ClC1=C(SC=C1)Br MCULE-5923516825 [0,0,0,0,0,0|4,0,0]=4 160 B7R1.4 ClC1=C(SC=C1)Cl MCULE-8641122898 [0,0,0,0,0,0|4,0,0]=4 161 B7R1.4 ClC1=C(SC=C1)I MCULE-1131161173 [0,0,0,0,0,0|4,0,0]=4 162 B7R1.4 FC1=C(NC=N1)Br MCULE-9336176542 [0,0,0,0,0,0|4,0,0]=4 163 B7R1.4 IC1=C(NC=N1)I MCULE-9585324854 [0,0,0,0,0,0|4,0,0]=4 164 B7R1.4 NC1=C(C=CS1)Br MCULE-9931355765 [0,0,0,0,0,0|4,0,0]=4 165 B7R1.4 NC1=C(C=NN1)Br MCULE-8679363916 [0,0,0,0,0,0|4,0,0]=4 166 B7R1.4 NC1=C(C=NN1)F MCULE-1693977921 [0,0,0,0,0,0|4,0,0]=4 167 B7R1.4 NC1=C(NN=C1)N MCULE-5202717352 [0,0,0,0,0,0|4,0,0]=4 168 B7R1.4 NC1=C(SC=C1)Br MCULE-5177518644 [0,0,0,0,0,0|4,0,0]=4 169 B7R1.4 NC1=C(SC=C1)Br MCULE-9842294434 [0,0,0,0,0,0|4,0,0]=4 170 B7R1.4 NC1=C(SC=C1)Cl MCULE-3109484453 [0,0,0,0,0,0|4,0,0]=4 171 B7R1.4 NC1=C(SC=C1)Cl MCULE-4898124373 [0,0,0,0,0,0|4,0,0]=4 172 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [0,0,0,0,0,0|3,1,0]=4 173 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [0,0,0,0,0,0|3,1,0]=4 174 B7R1.4 NC1=NN=CN1N MCULE-4081315170 [0,0,0,0,0,0|3,0,1]=4 175 B7R1.4 NC1=NN=CN1N MCULE-8486970234 [0,0,0,0,0,0|3,0,1]=4 176 B7R1.4 NN1C=NN=C1S MCULE-7009873730 [0,0,0,0,0,0|2,0,2]=4 177 B7R1.4 NN1C=NNC1=O MCULE-1613661520 [0,0,0,0,0,0|2,1,0]=3 178 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,0,0,0,0,0|1,1,2]=4 179 B7R1.4 NN1CCNC1=S MCULE-6710971353 [0,0,0,0,0,0|1,0,2]=3 180 B6R1.2 BrC1=CC=CN1 MCULE-5264580992 [1,0,0,0,0,0|2,0,0]=3 181 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [1,0,0,0,0,0|3,0,0]=4 182 B6R1.2 BrC1=CC=CS1 MCULE-1364150691 [1,0,0,0,0,0|3,0,0]=4 183 B6R1.2 BrC1=CC=C[Se]1 MCULE-9011330064 [1,0,0,0,0,0|3,0,0]=4 184 B6R1.2 BrC1=CC=NN1 MCULE-9341716246 [1,0,0,0,0,0|3,0,0]=4 185 B6R1.2 BrC1=CNC=C1 MCULE-2704154564 [1,0,0,0,0,0|2,0,0]=3 186 B6R1.2 BrC1=CNC=N1 MCULE-7584078883 [1,0,0,0,0,0|3,0,0]=4 187 B6R1.2 BrC1=CNN=C1 MCULE-2600716492 [1,0,0,0,0,0|3,0,0]=4 188 B6R1.2 BrC1=COC=C1 MCULE-7282301463 [1,0,0,0,0,0|3,0,0]=4 189 B6R1.2 BrC1=CSC=C1 MCULE-6680927224 [1,0,0,0,0,0|3,0,0]=4 190 B6R1.2 BrC1=NC=CN1 MCULE-6985395799 [1,0,0,0,0,0|1,0,1]=3 191 B6R1.2 BrC1=NC=CN1 MCULE-8632789036 [1,0,0,0,0,0|1,0,1]=3 192 B6R1.2 BrC1=NC=CO1 MCULE-2104886923 [1,0,0,0,0,0|2,0,1]=4 193 B6R1.2 BrC1=NC=CO1 MCULE-2745860961 [1,0,0,0,0,0|2,0,1]=4 194 B6R1.2 BrC1=NC=CS1 MCULE-9214561330 [1,0,0,0,0,0|2,0,1]=4 195 B6R1.2 BrC1=NN=CN1 MCULE-7469880141 [1,0,0,0,0,0|2,0,1]=4 196 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [1,0,0,0,0,0|2,0,1]=4 197 B6R1.2 CC1=CC=CN1 MCULE-7608248575 [1,0,0,0,0,0|2,0,0]=3 198 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [1,0,0,0,0,0|3,0,0]=4 199 B6R1.2 CC1=CC=CS1 MCULE-7297776024 [1,0,0,0,0,0|3,0,0]=4 200 B6R1.2 CC1=CC=NN1 MCULE-1457877312 [1,0,0,0,0,0|2,0,1]=4 201 B6R1.2 CC1=CC=NN1 MCULE-3441401586 [1,0,0,0,0,0|2,0,1]=4 202 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [1,0,0,0,0,0|2,0,1]=4 203 B6R1.2 CC1=CC=NS1 MCULE-4163670775 [1,0,0,0,0,0|2,0,1]=4 204 B6R1.2 CC1=CCNC1 MCULE-5892113847 [1,0,0,0,0,0|1,0,2]=4 205 B6R1.2 CC1=CCNC1 MCULE-9225220351 [1,0,0,0,0,0|1,0,2]=4 206 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [1,0,0,0,0,0|2,0,1]=4 207 B6R1.2 CC1=CN=CS1 MCULE-8510377651 [1,0,0,0,0,0|2,0,1]=4 208 B6R1.2 CC1=CNC=C1 MCULE-9114555776 [1,0,0,0,0,0|1,0,0]=2 209 B6R1.2 CC1=CNC=N1 MCULE-9375719449 [1,0,0,0,0,0|2,0,0]=3 210 B6R1.2 CC1=CNN=C1 MCULE-2732751720 [1,0,0,0,0,0|2,0,0]=3 211 B6R1.2 CC1=CNN=C1 MCULE-3538959589 [1,0,0,0,0,0|2,0,0]=3 212 B6R1.2 CC1=CNN=N1 MCULE-2819973344 [1,0,0,0,0,0|3,0,0]=4 213 B6R1.2 CC1=COC=C1 MCULE-1597223627 [1,0,0,0,0,0|2,0,0]=3 214 B6R1.2 CC1=COC=N1 MCULE-3497089982 [1,0,0,0,0,0|3,0,0]=4 215 B6R1.2 CC1=CON=C1 MCULE-4312100714 [1,0,0,0,0,0|2,0,1]=4 216 B6R1.2 CC1=CSC=C1 MCULE-1408158529 [1,0,0,0,0,0|2,0,0]=3 217 B6R1.2 CC1=CSC=N1 MCULE-3711308900 [1,0,0,0,0,0|3,0,0]=4 218 B6R1.2 CC1=CSN=C1 MCULE-2603580928 [1,0,0,0,0,0|2,0,1]=4 219 B6R1.2 CC1=NC=CN1 MCULE-4484196639 [1,0,0,0,0,0|1,0,1]=3 220 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [1,0,0,0,0,0|2,0,1]=4 221 B6R1.2 CC1=NC=CS1 MCULE-6863408892 [1,0,0,0,0,0|2,0,1]=4 222 B6R1.2 CC1=NN=CN1 MCULE-4297826922 [1,0,0,0,0,0|2,0,1]=4 223 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [1,0,0,0,0,0|3,0,0]=4 224 B6R1.2 CC1=NSC=C1 MCULE-6941128185 [1,0,0,0,0,0|3,0,0]=4 225 B6R1.2 CC1C=CCC1 MCULE-1638534048 [1,0,0,0,0,0|2,0,1]=4 226 B6R1.2 CN1C=CC=C1 MCULE-4929965979 [1,0,0,0,0,0|1,0,0]=2 227 B6R1.2 CN1C=CC=N1 MCULE-9409141633 [1,0,0,0,0,0|2,0,0]=3 228 B6R1.2 CN1C=CN=C1 MCULE-1468573178 [1,0,0,0,0,0|0,0,1]=2 229 B6R1.2 CN1C=CN=C1 MCULE-1857627459 [1,0,0,0,0,0|0,0,1]=2 230 B6R1.2 CN1C=CN=C1 MCULE-3087755909 [1,0,0,0,0,0|0,0,1]=2 231 B6R1.2 CN1C=CN=C1 MCULE-7326970566 [1,0,0,0,0,0|0,0,1]=2 232 B6R1.2 CN1C=CN=C1 MCULE-7347723440 [1,0,0,0,0,0|0,0,1]=2 233 B6R1.2 CN1C=CN=N1 MCULE-5243651327 [1,0,0,0,0,0|1,0,1]=3 234 B6R1.2 CN1C=C[NH+]=C1 MCULE-1511454799 [1,0,0,0,0,0|0,0,1]=2 235 B6R1.2 CN1C=NC=N1 MCULE-7058833727 [1,0,0,0,0,0|1,0,1]=3 236 B6R1.2 CN1C=NN=C1 MCULE-6264363668 [1,0,0,0,0,0|1,0,1]=3 237 B6R1.2 CN1C=NN=N1 MCULE-3160538239 [1,0,0,0,0,0|2,0,1]=4 238 B6R1.2 CN1CC=CC1 MCULE-2586884916 [1,0,0,0,0,0|1,0,2]=4 239 B6R1.2 CN1CCNC1 MCULE-8059197564 [1,0,0,0,0,0|0,0,3]=4 240 B6R1.2 CN1CCNC1 MCULE-9818601515 [1,0,0,0,0,0|0,0,3]=4 241 B6R1.2 CN1N=CN=N1 MCULE-7206818291 [1,0,0,0,0,0|2,0,1]=4 242 B6R1.2 ClC1=CC=CO1 MCULE-3538307465 [1,0,0,0,0,0|3,0,0]=4 243 B6R1.2 ClC1=CC=CS1 MCULE-2640438050 [1,0,0,0,0,0|3,0,0]=4 244 B6R1.2 ClC1=CC=NN1 MCULE-3560728451 [1,0,0,0,0,0|3,0,0]=4 245 B6R1.2 ClC1=CNC=N1 MCULE-3072422179 [1,0,0,0,0,0|3,0,0]=4 246 B6R1.2 ClC1=CNC=N1 MCULE-8453567278 [1,0,0,0,0,0|3,0,0]=4 247 B6R1.2 ClC1=CNN=C1 MCULE-2092045123 [1,0,0,0,0,0|3,0,0]=4 248 B6R1.2 ClC1=CSC=C1 MCULE-1998275400 [1,0,0,0,0,0|3,0,0]=4 249 B6R1.2 ClC1=NC=CN1 MCULE-6072122645 [1,0,0,0,0,0|1,0,1]=3 250 B6R1.2 ClC1=NC=CO1 MCULE-1860416745 [1,0,0,0,0,0|2,0,1]=4 251 B6R1.2 ClC1=NC=CO1 MCULE-4765528658 [1,0,0,0,0,0|2,0,1]=4 252 B6R1.2 ClC1=NC=CS1 MCULE-6673458969 [1,0,0,0,0,0|2,0,1]=4 253 B6R1.2 ClC1=NC=NN1 MCULE-2300203419 [1,0,0,0,0,0|2,0,1]=4 254 B6R1.2 ClC1=NNC=C1 MCULE-6678816051 [1,0,0,0,0,0|3,0,0]=4 255 B6R1.2 FC1=CC=CS1 MCULE-5362233873 [1,0,0,0,0,0|3,0,0]=4 256 B6R1.2 FC1=CN=CN1 MCULE-9951835141 [1,0,0,0,0,0|3,0,0]=4 257 B6R1.2 FC1=CNN=C1 MCULE-7981107171 [1,0,0,0,0,0|3,0,0]=4 258 B6R1.2 FC1=CNN=C1 MCULE-9509914186 [1,0,0,0,0,0|3,0,0]=4 259 B6R1.2 FC1=CSC=C1 MCULE-3342972910 [1,0,0,0,0,0|3,0,0]=4 260 B6R1.2 FC1=NC=CN1 MCULE-1860701993 [1,0,0,0,0,0|1,0,1]=3 261 B6R1.2 FC1=NC=CN1 MCULE-5026249596 [1,0,0,0,0,0|1,0,1]=3 262 B6R1.2 FC1=NC=CS1 MCULE-3710058771 [1,0,0,0,0,0|2,0,1]=4 263 B6R1.2 FC1=NC=NN1 MCULE-7446864956 [1,0,0,0,0,0|2,0,1]=4 264 B6R1.2 FC1=NNC=C1 MCULE-3532126949 [1,0,0,0,0,0|3,0,0]=4 265 B6R1.2 IC1=CC=CO1 MCULE-6467830719 [1,0,0,0,0,0|3,0,0]=4 266 B6R1.2 IC1=CC=CS1 MCULE-6025659368 [1,0,0,0,0,0|3,0,0]=4 267 B6R1.2 IC1=CC=NN1 MCULE-9744954898 [1,0,0,0,0,0|3,0,0]=4 268 B6R1.2 IC1=CNC=C1 MCULE-4230351559 [1,0,0,0,0,0|2,0,0]=3 269 B6R1.2 IC1=CNC=N1 MCULE-9964164089 [1,0,0,0,0,0|3,0,0]=4 270 B6R1.2 IC1=CNN=C1 MCULE-4755201793 [1,0,0,0,0,0|3,0,0]=4 271 B6R1.2 IC1=CSC=C1 MCULE-1100365117 [1,0,0,0,0,0|3,0,0]=4 272 B6R1.2 IC1=NC=CN1 MCULE-1690537323 [1,0,0,0,0,0|1,0,1]=3 273 B6R1.2 IC1=NC=CO1 MCULE-2254947090 [1,0,0,0,0,0|2,0,1]=4 274 B6R1.2 IC1=NC=CS1 MCULE-9500451238 [1,0,0,0,0,0|2,0,1]=4 275 B6R1.2 IC1=NNC=C1 MCULE-9771094813 [1,0,0,0,0,0|3,0,0]=4 276 B6R1.2 IN1C=CN=C1 MCULE-4410570789 [1,0,0,0,0,0|1,0,1]=3 277 B6R1.2 N=C1NCCN1 MCULE-4983030911 [1,0,0,0,0,0|1,0,2]=4 278 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [1,0,0,0,0,0|2,0,0]=3 279 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [1,0,0,0,0,0|2,0,0]=3 280 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [1,0,0,0,0,0|3,0,0]=4 281 B6R1.2 NC1=CC=CS1 MCULE-1649510352 [1,0,0,0,0,0|3,0,0]=4 282 B6R1.2 NC1=CC=CS1 MCULE-9501271303 [1,0,0,0,0,0|3,0,0]=4 283 B6R1.2 NC1=CN=CN1 MCULE-3029255616 [1,0,0,0,0,0|3,0,0]=4 284 B6R1.2 NC1=CN=CN1 MCULE-8873453977 [1,0,0,0,0,0|3,0,0]=4 285 B6R1.2 NC1=CN=CN1 MCULE-9206811415 [1,0,0,0,0,0|3,0,0]=4 286 B6R1.2 NC1=CNC=C1 MCULE-1411730985 [1,0,0,0,0,0|2,0,0]=3 287 B6R1.2 NC1=CNC=C1 MCULE-7701316156 [1,0,0,0,0,0|2,0,0]=3 288 B6R1.2 NC1=CNN=C1 MCULE-4119655375 [1,0,0,0,0,0|3,0,0]=4 289 B6R1.2 NC1=CNN=C1 MCULE-5097217370 [1,0,0,0,0,0|3,0,0]=4 290 B6R1.2 NC1=CNN=C1 MCULE-6287007700 [1,0,0,0,0,0|3,0,0]=4 291 B6R1.2 NC1=COC=C1 MCULE-1858324031 [1,0,0,0,0,0|3,0,0]=4 292 B6R1.2 NC1=COC=C1 MCULE-3985426542 [1,0,0,0,0,0|3,0,0]=4 293 B6R1.2 NC1=CSC=C1 MCULE-1673174137 [1,0,0,0,0,0|3,0,0]=4 294 B6R1.2 NC1=CSC=C1 MCULE-5461897385 [1,0,0,0,0,0|3,0,0]=4 295 B6R1.2 NC1=CSC=C1 MCULE-6200615331 [1,0,0,0,0,0|3,0,0]=4 296 B6R1.2 NC1=CSC=C1 MCULE-9439581665 [1,0,0,0,0,0|3,0,0]=4 297 B6R1.2 NC1=NC=CN1 MCULE-4937045321 [1,0,0,0,0,0|1,0,1]=3 298 B6R1.2 NC1=NC=CN1 MCULE-6371804569 [1,0,0,0,0,0|1,0,1]=3 299 B6R1.2 NC1=NC=CN1 MCULE-7485953374 [1,0,0,0,0,0|1,0,1]=3 300 B6R1.2 NC1=NC=CN1 MCULE-9607974759 [1,0,0,0,0,0|1,0,1]=3 301 B6R1.2 NC1=NC=CO1 MCULE-7316590930 [1,0,0,0,0,0|2,0,1]=4 302 B6R1.2 NC1=NC=CS1 MCULE-1506905792 [1,0,0,0,0,0|2,0,1]=4 303 B6R1.2 NC1=NC=CS1 MCULE-8550608343 [1,0,0,0,0,0|2,0,1]=4 304 B6R1.2 NC1=NC=NN1 MCULE-6203622976 [1,0,0,0,0,0|2,0,1]=4 305 B6R1.2 NC1=NNC=C1 MCULE-1507683823 [1,0,0,0,0,0|3,0,0]=4 306 B6R1.2 NC1=NNC=C1 MCULE-5117516307 [1,0,0,0,0,0|3,0,0]=4 307 B6R1.2 NC1=NNC=C1 MCULE-7091290697 [1,0,0,0,0,0|3,0,0]=4 308 B6R1.2 NN1C=CC=C1 MCULE-9328309132 [1,0,0,0,0,0|2,0,0]=3 309 B6R1.2 NN1C=CC=N1 MCULE-1897324593 [1,0,0,0,0,0|3,0,0]=4 310 B6R1.2 NN1C=CN=C1 MCULE-6804632943 [1,0,0,0,0,0|1,0,1]=3 311 B6R1.2 NN1C=CN=C1 MCULE-9704502703 [1,0,0,0,0,0|1,0,1]=3 312 B6R1.2 NN1C=CN=N1 MCULE-2003837529 [1,0,0,0,0,0|2,0,1]=4 313 B6R1.2 NN1C=CN=N1 MCULE-2708002414 [1,0,0,0,0,0|2,0,1]=4 314 B6R1.2 NN1C=NC=N1 MCULE-2428153714 [1,0,0,0,0,0|2,0,1]=4 315 B6R1.2 NN1C=NN=C1 MCULE-4400137781 [1,0,0,0,0,0|2,0,1]=4 316 B6R1.2 NN1C=NN=C1 MCULE-5774472936 [1,0,0,0,0,0|2,0,1]=4 317 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,0,0,0|1,1,1]=4 318 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [1,0,0,0,0,0|2,1,0]=4 319 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [1,0,0,0,0,0|2,1,0]=4 320 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,0,0,0|2,1,0]=4 321 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,0,0,0|2,1,0]=4 322 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [1,0,0,0,0,0|0,1,0]=2 323 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,0,0,0|1,1,0]=3 324 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [1,0,0,0,0,0|1,1,0]=3 325 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [1,0,0,0,0,0|1,1,0]=3 326 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,0,0,0|0,1,2]=4 327 B6R1.2 O=C1NN=NN1 MCULE-2843823671 [1,0,0,0,0,0|2,1,0]=4 328 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [1,0,0,0,0,0|2,1,0]=4 329 B6R1.2 OC1=CC=CO1 MCULE-7591676996 [1,0,0,0,0,0|2,1,0]=4 330 B6R1.2 OC1=CC=CS1 MCULE-8044830478 [1,0,0,0,0,0|2,1,0]=4 331 B6R1.2 OC1=CC=NN1 MCULE-9109008036 [1,0,0,0,0,0|2,1,0]=4 332 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [1,0,0,0,0,0|2,0,0]=3 333 B6R1.2 OC1=CNC=N1 MCULE-1911765165 [1,0,0,0,0,0|3,0,0]=4 334 B6R1.2 OC1=CNN=C1 MCULE-5672706063 [1,0,0,0,0,0|3,0,0]=4 335 B6R1.2 OC1=CNN=C1 MCULE-5774317326 [1,0,0,0,0,0|3,0,0]=4 336 B6R1.2 OC1=CSC=C1 MCULE-2226095386 [1,0,0,0,0,0|3,0,0]=4 337 B6R1.2 ON1C=CC=N1 MCULE-8533909959 [1,0,0,0,0,0|3,0,0]=4 338 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,0,0,0|1,0,2]=4 339 B6R1.2 S=C1NC=CO1 MCULE-6706918798 [1,0,0,0,0,0|1,0,0]=2 340 B6R1.2 S=C1NCCN1 MCULE-3300710815 [1,0,0,0,0,0|0,0,2]=3 341 B6R1.2 S=C1SC=CS1 MCULE-7239273248 [1,0,0,0,0,0|2,0,0]=3 342 B6R1.2 SC1=CC=CS1 MCULE-8882266878 [1,0,0,0,0,0|2,0,1]=4 343 B6R1.2 SC1=CNN=C1 MCULE-7844673145 [1,0,0,0,0,0|3,0,0]=4 344 B6R1.2 SC1=CSC=C1 MCULE-8930005512 [1,0,0,0,0,0|3,0,0]=4 345 B6R1.2 SC1=NC=CN1 MCULE-1550904171 [1,0,0,0,0,0|0,0,2]=3 346 B6R1.2 SC1=NC=CS1 MCULE-4142949987 [1,0,0,0,0,0|1,0,2]=4 347 B6R1.2 SC1=NN=CN1 MCULE-5875245990 [1,0,0,0,0,0|1,0,2]=4 348 B6R1.2 [Li]C1C=CC=C1 MCULE-1100709751 [1,0,0,0,0,0|3,0,0]=4 349 B6R1.2 [TlH2]C1=CC=CC1 MCULE-7402896981 [1,0,0,0,0,0|3,0,0]=4 350 B8R1.11 BrCC1=C(SC=C1)Br MCULE-9300820867 [0,1,0,0,0,0|3,0,0]=4 351 B8R1.11 C#CC1=C(C=CS1)C MCULE-5460311965 [0,1,0,0,0,0|3,0,0]=4 352 B8R1.11 C#CC1=CC=NN1C MCULE-3200365770 [0,1,0,0,0,0|3,0,0]=4 353 B8R1.11 C#CC1=CN=CN1C MCULE-3829357175 [0,1,0,0,0,0|3,0,0]=4 354 B8R1.11 C#CC1=NC=CN1C MCULE-3558072894 [0,1,0,0,0,0|1,0,1]=3 355 B8R1.11 C=CC1=CC=CN1C MCULE-1492192424 [0,1,0,0,0,0|2,0,0]=3 356 B8R1.11 C=CC1=NC=CN1C MCULE-3539850015 [0,1,0,0,0,0|1,0,1]=3 357 B8R1.11 C=CN1C=CC=C1C MCULE-6322835558 [0,1,0,0,0,0|2,0,1]=4 358 B8R1.11 C=CN1C=CN=C1C MCULE-3515254106 [0,1,0,0,0,0|1,0,2]=4 359 B8R1.11 CC1=C(C=CN1)C#N MCULE-2798887312 [0,1,0,0,0,0|2,0,1]=4 360 B8R1.11 CC1=C(C=CO1)CN MCULE-5251282165 [0,1,0,0,0,0|3,0,0]=4 361 B8R1.11 CC1=C(C=CO1)CO MCULE-7321265649 [0,1,0,0,0,0|3,0,0]=4 362 B8R1.11 CC1=C(C=NN1)CN MCULE-9628349636 [0,1,0,0,0,0|3,0,0]=4 363 B8R1.11 CC1=C(C=NN1)CO MCULE-3686101220 [0,1,0,0,0,0|3,0,0]=4 364 B8R1.11 CC1=C(N=CN1)CBr MCULE-1489460179 [0,1,0,0,0,0|3,0,0]=4 365 B8R1.11 CC1=C(N=CN1)CBr MCULE-4160888967 [0,1,0,0,0,0|3,0,0]=4 366 B8R1.11 CC1=C(N=CN1)CN MCULE-5971072257 [0,1,0,0,0,0|3,0,0]=4 367 B8R1.11 CC1=C(N=CN1)CN MCULE-8188913844 [0,1,0,0,0,0|3,0,0]=4 368 B8R1.11 CC1=C(N=CN1)CO MCULE-7467912332 [0,1,0,0,0,0|3,0,0]=4 369 B8R1.11 CC1=C(N=CN1)CO MCULE-9125658618 [0,1,0,0,0,0|3,0,0]=4 370 B8R1.11 CC1=C(NC=C1)C=O MCULE-5439756968 [0,1,0,0,0,0|1,1,0]=3 371 B8R1.11 CC1=C(NC=N1)C=O MCULE-6500436461 [0,1,0,0,0,0|2,1,0]=4 372 B8R1.11 CC1=C(NC=N1)CCl MCULE-3368094983 [0,1,0,0,0,0|3,0,0]=4 373 B8R1.11 CC1=C(NC=N1)CCl MCULE-8407139833 [0,1,0,0,0,0|3,0,0]=4 374 B8R1.11 CC1=C(NC=N1)CN MCULE-9771052889 [0,1,0,0,0,0|3,0,0]=4 375 B8R1.11 CC1=C(NN=C1)C=O MCULE-2538988412 [0,1,0,0,0,0|2,1,0]=4 376 B8R1.11 CC1=C(NN=C1)CCl MCULE-7764036891 [0,1,0,0,0,0|3,0,0]=4 377 B8R1.11 CC1=C(NN=C1)CN MCULE-3627124579 [0,1,0,0,0,0|3,0,0]=4 378 B8R1.11 CC1=C(NN=C1)CN MCULE-8727611338 [0,1,0,0,0,0|3,0,0]=4 379 B8R1.11 CC1=C(OC=C1)C=O MCULE-1514039689 [0,1,0,0,0,0|2,1,0]=4 380 B8R1.11 CC1=C(OC=C1)CN MCULE-2352949047 [0,1,0,0,0,0|3,0,0]=4 381 B8R1.11 CC1=C(OC=C1)CO MCULE-9104455772 [0,1,0,0,0,0|2,1,0]=4 382 B8R1.11 CC1=C(OC=C1)CS MCULE-7578747384 [0,1,0,0,0,0|2,0,1]=4 383 B8R1.11 CC1=C(SC=C1)C#N MCULE-4382080949 [0,1,0,0,0,0|3,0,0]=4 384 B8R1.11 CC1=C(SC=C1)C=O MCULE-6154045034 [0,1,0,0,0,0|2,1,0]=4 385 B8R1.11 CC1=C(SC=C1)CBr MCULE-2931813517 [0,1,0,0,0,0|3,0,0]=4 386 B8R1.11 CC1=C(SC=C1)CCl MCULE-4483197056 [0,1,0,0,0,0|3,0,0]=4 387 B8R1.11 CC1=C(SC=C1)CN MCULE-1604454057 [0,1,0,0,0,0|3,0,0]=4 388 B8R1.11 CC1=C(SC=C1)CN MCULE-2693055075 [0,1,0,0,0,0|3,0,0]=4 389 B8R1.11 CC1=C(SC=C1)CO MCULE-6139465194 [0,1,0,0,0,0|2,1,0]=4 390 B8R1.11 CCC1=C(SC=C1)Br MCULE-6065514127 [0,1,0,0,0,0|3,0,0]=4 391 B8R1.11 CCC1=C(SC=C1)Cl MCULE-6157414652 [0,1,0,0,0,0|3,0,0]=4 392 B8R1.11 CCC1=C(SC=C1)N MCULE-4451604839 [0,1,0,0,0,0|3,0,0]=4 393 B8R1.11 CCC1=CC=CN1N MCULE-3219316456 [0,1,0,0,0,0|3,0,0]=4 394 B8R1.11 CCC1=CC=NN1C MCULE-6807072345 [0,1,0,0,0,0|3,0,0]=4 395 B8R1.11 CCC1=CN=CN1C MCULE-6470580705 [0,1,0,0,0,0|3,0,0]=4 396 B8R1.11 CCN1C=CN=C1Br MCULE-1274110254 [0,1,0,0,0,0|1,0,1]=3 397 B8R1.11 CCN1C=CN=C1Br MCULE-9017123039 [0,1,0,0,0,0|1,0,1]=3 398 B8R1.11 CCN1C=CN=C1C MCULE-5943654351 [0,1,0,0,0,0|1,0,1]=3 399 B8R1.11 CCN1C=CN=C1Cl MCULE-9748144212 [0,1,0,0,0,0|1,0,1]=3 400 B8R1.11 CCN1C=CN=C1N MCULE-3212193688 [0,1,0,0,0,0|1,0,1]=3 401 B8R1.11 CCN1C=CN=C1S MCULE-2490185112 [0,1,0,0,0,0|0,0,2]=3 402 B8R1.11 CCN1C=CNC1=O MCULE-8501991406 [0,1,0,0,0,0|0,1,0]=2 403 B8R1.11 CCN1C=CSC1=N MCULE-1692207080 [0,1,0,0,0,0|2,0,0]=3 404 B8R1.11 CCN1C=CSC1=[NH2+] MCULE-2182604989 [0,1,0,0,0,0|2,0,0]=3 405 B8R1.11 CCN1C=NC=C1Br MCULE-2316890689 [0,1,0,0,0,0|3,0,0]=4 406 B8R1.11 CCN1C=NC=C1C MCULE-5010495596 [0,1,0,0,0,0|3,0,0]=4 407 B8R1.11 CCN1C=NC=C1N MCULE-9864212110 [0,1,0,0,0,0|3,0,0]=4 408 B8R1.11 CCN1C=NN=C1N MCULE-7342108691 [0,1,0,0,0,0|2,0,1]=4 409 B8R1.11 CCN1C=NN=C1N MCULE-8110662600 [0,1,0,0,0,0|2,0,1]=4 410 B8R1.11 CCN1C=NN=C1S MCULE-4081198605 [0,1,0,0,0,0|1,0,2]=4 411 B8R1.11 CCN1CCNC1=O MCULE-8168665695 [0,1,0,0,0,0|0,1,2]=4 412 B8R1.11 CCN1CCNC1=S MCULE-5878192181 [0,1,0,0,0,0|0,0,2]=3 413 B8R1.11 CCN1N=CC=C1Br MCULE-7634952399 [0,1,0,0,0,0|3,0,0]=4 414 B8R1.11 CCN1N=CC=C1C MCULE-7029406332 [0,1,0,0,0,0|3,0,0]=4 415 B8R1.11 CCN1N=CC=C1Cl MCULE-4400959295 [0,1,0,0,0,0|3,0,0]=4 416 B8R1.11 CCN1N=CC=C1F MCULE-2790230181 [0,1,0,0,0,0|3,0,0]=4 417 B8R1.11 CCN1N=CC=C1I MCULE-7507084372 [0,1,0,0,0,0|3,0,0]=4 418 B8R1.11 CCN1N=CC=C1N MCULE-1134329761 [0,1,0,0,0,0|3,0,0]=4 419 B8R1.11 CCN1N=CC=C1O MCULE-9331211869 [0,1,0,0,0,0|2,1,0]=4 420 B8R1.11 CCN1N=CN=C1Br MCULE-7013239879 [0,1,0,0,0,0|2,0,1]=4 421 B8R1.11 CCN1N=CN=C1Cl MCULE-3246091716 [0,1,0,0,0,0|2,0,1]=4 422 B8R1.11 CCN1N=CN=C1N MCULE-3411588431 [0,1,0,0,0,0|2,0,1]=4 423 B8R1.11 CCN1N=CN=C1N MCULE-9397199264 [0,1,0,0,0,0|2,0,1]=4 424 B8R1.11 CCN1N=NNC1=O MCULE-2824266215 [0,1,0,0,0,0|2,1,0]=4 425 B8R1.11 CCN1N=NNC1=S MCULE-3928590408 [0,1,0,0,0,0|2,0,0]=3 426 B8R1.11 CC[N+]1=C(SC=C1)N MCULE-8499506922 [0,1,0,0,0,0|2,0,1]=4 427 B8R1.11 CC[N+]1=CC=CN1C MCULE-1689563914 [0,1,0,0,0,0|3,0,0]=4 428 B8R1.11 CC[N+]1=CC=CN1C MCULE-9049653056 [0,1,0,0,0,0|3,0,0]=4 429 B8R1.11 CN1C=CC=C1C#N MCULE-9047519312 [0,1,0,0,0,0|2,0,0]=3 430 B8R1.11 CN1C=CC=C1C=O MCULE-6257317045 [0,1,0,0,0,0|1,1,0]=3 431 B8R1.11 CN1C=CC=C1CN MCULE-4666453025 [0,1,0,0,0,0|2,0,0]=3 432 B8R1.11 CN1C=CC=C1CN MCULE-4973656166 [0,1,0,0,0,0|2,0,0]=3 433 B8R1.11 CN1C=CC=C1CO MCULE-7568721522 [0,1,0,0,0,0|1,1,0]=3 434 B8R1.11 CN1C=CC=C1CS MCULE-9744329447 [0,1,0,0,0,0|1,0,1]=3 435 B8R1.11 CN1C=CN=C1C#N MCULE-9622282021 [0,1,0,0,0,0|1,0,1]=3 436 B8R1.11 CN1C=CN=C1C=O MCULE-3406557183 [0,1,0,0,0,0|0,1,1]=3 437 B8R1.11 CN1C=CN=C1CBr MCULE-1606863497 [0,1,0,0,0,0|1,0,1]=3 438 B8R1.11 CN1C=CN=C1CBr MCULE-3791371917 [0,1,0,0,0,0|1,0,1]=3 439 B8R1.11 CN1C=CN=C1CCl MCULE-2096210393 [0,1,0,0,0,0|1,0,1]=3 440 B8R1.11 CN1C=CN=C1CCl MCULE-4644001974 [0,1,0,0,0,0|1,0,1]=3 441 B8R1.11 CN1C=CN=C1CF MCULE-5152424044 [0,1,0,0,0,0|1,0,1]=3 442 B8R1.11 CN1C=CN=C1CN MCULE-1068444430 [0,1,0,0,0,0|1,0,1]=3 443 B8R1.11 CN1C=CN=C1CN MCULE-5728098333 [0,1,0,0,0,0|1,0,1]=3 444 B8R1.11 CN1C=CN=C1CN MCULE-8497707863 [0,1,0,0,0,0|1,0,1]=3 445 B8R1.11 CN1C=CN=C1CO MCULE-1521474900 [0,1,0,0,0,0|0,1,1]=3 446 B8R1.11 CN1C=CN=C1CO MCULE-8693266867 [0,1,0,0,0,0|0,1,1]=3 447 B8R1.11 CN1C=CN=C1NN MCULE-1446931168 [0,1,0,0,0,0|1,0,1]=3 448 B8R1.11 CN1C=CN=C1NN MCULE-9734496587 [0,1,0,0,0,0|1,0,1]=3 449 B8R1.11 CN1C=NC=C1C#N MCULE-7099795072 [0,1,0,0,0,0|3,0,0]=4 450 B8R1.11 CN1C=NC=C1C=O MCULE-4444133297 [0,1,0,0,0,0|2,1,0]=4 451 B8R1.11 CN1C=NC=C1CBr MCULE-6977095298 [0,1,0,0,0,0|3,0,0]=4 452 B8R1.11 CN1C=NC=C1CBr MCULE-7160138849 [0,1,0,0,0,0|3,0,0]=4 453 B8R1.11 CN1C=NC=C1CCl MCULE-2888755882 [0,1,0,0,0,0|3,0,0]=4 454 B8R1.11 CN1C=NC=C1CCl MCULE-7855648270 [0,1,0,0,0,0|3,0,0]=4 455 B8R1.11 CN1C=NC=C1CN MCULE-4392851314 [0,1,0,0,0,0|3,0,0]=4 456 B8R1.11 CN1C=NC=C1CN MCULE-6611106164 [0,1,0,0,0,0|3,0,0]=4 457 B8R1.11 CN1C=NC=C1CO MCULE-5142443406 [0,1,0,0,0,0|2,1,0]=4 458 B8R1.11 CN1C=NN=C1C=O MCULE-2119595659 [0,1,0,0,0,0|1,1,1]=4 459 B8R1.11 CN1C=NN=C1CBr MCULE-3169916874 [0,1,0,0,0,0|2,0,1]=4 460 B8R1.11 CN1C=NN=C1CBr MCULE-4558182305 [0,1,0,0,0,0|2,0,1]=4 461 B8R1.11 CN1C=NN=C1CCl MCULE-4113823533 [0,1,0,0,0,0|2,0,1]=4 462 B8R1.11 CN1C=NN=C1CCl MCULE-6745148755 [0,1,0,0,0,0|2,0,1]=4 463 B8R1.11 CN1C=NN=C1CN MCULE-6652774345 [0,1,0,0,0,0|2,0,1]=4 464 B8R1.11 CN1C=NN=C1CN MCULE-7860308961 [0,1,0,0,0,0|2,0,1]=4 465 B8R1.11 CN1C=NN=C1CO MCULE-6030528749 [0,1,0,0,0,0|1,1,1]=4 466 B8R1.11 CN1C=NN=C1NN MCULE-6897437732 [0,1,0,0,0,0|2,0,1]=4 467 B8R1.11 CN1C=NN=C1NN MCULE-7632271987 [0,1,0,0,0,0|2,0,1]=4 468 B8R1.11 CN1N=CC=C1C#N MCULE-5136985282 [0,1,0,0,0,0|3,0,0]=4 469 B8R1.11 CN1N=CC=C1C=O MCULE-9719887404 [0,1,0,0,0,0|2,1,0]=4 470 B8R1.11 CN1N=CC=C1CBr MCULE-4129953668 [0,1,0,0,0,0|3,0,0]=4 471 B8R1.11 CN1N=CC=C1CBr MCULE-7492713849 [0,1,0,0,0,0|3,0,0]=4 472 B8R1.11 CN1N=CC=C1CCl MCULE-5247429045 [0,1,0,0,0,0|3,0,0]=4 473 B8R1.11 CN1N=CC=C1CCl MCULE-9542093776 [0,1,0,0,0,0|3,0,0]=4 474 B8R1.11 CN1N=CC=C1CN MCULE-5856130402 [0,1,0,0,0,0|3,0,0]=4 475 B8R1.11 CN1N=CC=C1CN MCULE-8887654915 [0,1,0,0,0,0|3,0,0]=4 476 B8R1.11 CN1N=CC=C1CN MCULE-9794344954 [0,1,0,0,0,0|3,0,0]=4 477 B8R1.11 CN1N=CC=C1CO MCULE-7385621229 [0,1,0,0,0,0|2,1,0]=4 478 B8R1.11 CN1N=CC=C1NN MCULE-4581577077 [0,1,0,0,0,0|3,0,0]=4 479 B8R1.11 CN1N=CC=C1NN MCULE-9982055938 [0,1,0,0,0,0|3,0,0]=4 480 B8R1.11 CN1N=CN=C1C=O MCULE-9297044077 [0,1,0,0,0,0|1,1,1]=4 481 B8R1.11 CN1N=CN=C1CCl MCULE-7287799731 [0,1,0,0,0,0|2,0,1]=4 482 B8R1.11 CN1N=CN=C1CCl MCULE-7294971434 [0,1,0,0,0,0|2,0,1]=4 483 B8R1.11 CN1N=CN=C1CN MCULE-3853182879 [0,1,0,0,0,0|2,0,1]=4 484 B8R1.11 CN1N=CN=C1CN MCULE-7770560799 [0,1,0,0,0,0|2,0,1]=4 485 B8R1.11 CN1N=CN=C1CO MCULE-2017582109 [0,1,0,0,0,0|1,1,1]=4 486 B8R1.11 CN1N=CN=C1CO MCULE-7193467896 [0,1,0,0,0,0|1,1,1]=4 487 B8R1.11 CN1N=CN=C1NN MCULE-2131785227 [0,1,0,0,0,0|2,0,1]=4 488 B8R1.11 CN1N=CN=C1NN MCULE-3415033210 [0,1,0,0,0,0|2,0,1]=4 489 B8R1.11 CN1N=CN=C1NN MCULE-9531948967 [0,1,0,0,0,0|2,0,1]=4 490 B8R1.11 CNC1=CC=NN1C MCULE-8844218812 [0,1,0,0,0,0|3,0,0]=4 491 B8R1.11 CNC1=CC=NN1C MCULE-9610370229 [0,1,0,0,0,0|3,0,0]=4 492 B8R1.11 CNC1=CN=CN1C MCULE-7520502977 [0,1,0,0,0,0|3,0,0]=4 493 B8R1.11 CNC1=CN=CN1C MCULE-9429025763 [0,1,0,0,0,0|3,0,0]=4 494 B8R1.11 CNC1=NC=CN1C MCULE-5916847250 [0,1,0,0,0,0|1,0,1]=3 495 B8R1.11 CNC1=NC=CN1C MCULE-6174156572 [0,1,0,0,0,0|1,0,1]=3 496 B8R1.11 COC1=C(NN=C1)I MCULE-3543245763 [0,1,0,0,0,0|3,0,0]=4 497 B8R1.11 COC1=C(SC=C1)I MCULE-5410446535 [0,1,0,0,0,0|3,0,0]=4 498 B8R1.11 COC1=CC=NN1C MCULE-5146324715 [0,1,0,0,0,0|2,1,0]=4 499 B8R1.11 CSC1=C(C=CS1)C MCULE-9004032312 [0,1,0,0,0,0|2,0,1]=4 500 B8R1.11 CSC1=C(OC=C1)C MCULE-7593219687 [0,1,0,0,0,0|3,0,0]=4 501 B8R1.11 CSC1=CC=NN1C MCULE-7327510189 [0,1,0,0,0,0|2,0,1]=4 502 B8R1.11 CSC1=NC=CN1C MCULE-4558685381 [0,1,0,0,0,0|0,0,2]=3 503 B8R1.11 ClC1=C(C=CS1)CBr MCULE-9238260496 [0,1,0,0,0,0|3,0,0]=4 504 B8R1.11 ClCC1=C(SC=C1)Cl MCULE-9873548809 [0,1,0,0,0,0|3,0,0]=4 505 B8R1.11 N#CC1=C(NC=C1)N MCULE-2893851730 [0,1,0,0,0,0|2,0,1]=4 506 B8R1.11 N#CC1=CC=CN1N MCULE-7348141206 [0,1,0,0,0,0|3,0,0]=4 507 B8R1.11 N#CC1=CC=CN1N MCULE-8247673407 [0,1,0,0,0,0|3,0,0]=4 508 B8R1.11 N#CC1=NC=CN1O MCULE-9033958875 [0,1,0,0,0,0|2,0,1]=4 509 B8R1.11 NCC1=C(SC=C1)Br MCULE-4839650292 [0,1,0,0,0,0|3,0,0]=4 510 B8R1.11 NCC1=C(SC=C1)Br MCULE-7473289869 [0,1,0,0,0,0|3,0,0]=4 511 B8R1.11 O=CC1=C(C=CN1)Br MCULE-8873872890 [0,1,0,0,0,0|2,1,0]=4 512 B8R1.11 O=CC1=C(C=CN1)Cl MCULE-2369252815 [0,1,0,0,0,0|2,1,0]=4 513 B8R1.11 OCC1=C(SC=C1)Br MCULE-9049690302 [0,1,0,0,0,0|3,0,0]=4 514 B8R1.11 OCC1=C(SC=C1)Cl MCULE-2378932350 [0,1,0,0,0,0|3,0,0]=4 515 B8R1.18 CC1=C(NC(=N1)Br)Br MCULE-7943740516 [0,1,0,0,0,0|3,0,0]=4 516 B8R1.18 CC1=C(NC(=N1)Br)C MCULE-8227466521 [0,1,0,0,0,0|3,0,0]=4 517 B8R1.18 CC1=C(NC(=N1)Cl)C MCULE-8866377899 [0,1,0,0,0,0|3,0,0]=4 518 B8R1.18 CC1=C(NC(=N1)I)I MCULE-9282668797 [0,1,0,0,0,0|3,0,0]=4 519 B8R1.18 CC1=C(NC(=N1)N)C MCULE-1919960152 [0,1,0,0,0,0|3,0,0]=4 520 B8R1.18 CC1=C(NC(=N1)N)C MCULE-6891118020 [0,1,0,0,0,0|3,0,0]=4 521 B8R1.18 CC1=C(NC(=O)N1)C MCULE-1459949338 [0,1,0,0,0,0|3,0,0]=4 522 B8R1.18 CC1=C(NC(=S)N1)C MCULE-2671807084 [0,1,0,0,0,0|3,0,0]=4 523 B8R1.18 CC1=C(OC(=C1)Br)Br MCULE-8877945879 [0,1,0,0,0,0|3,0,0]=4 524 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,1,0,0,0,0|3,0,0]=4 525 B8R1.18 CC1=C(SC(=C1)Br)Br MCULE-5033111646 [0,1,0,0,0,0|3,0,0]=4 526 B8R1.18 CC1=C(SC(=C1)Br)C MCULE-3189312546 [0,1,0,0,0,0|3,0,0]=4 527 B8R1.18 CC1=C(SC(=C1)Br)N MCULE-6141225156 [0,1,0,0,0,0|3,0,0]=4 528 B8R1.18 CC1=C(SC(=C1)Cl)Br MCULE-9089345119 [0,1,0,0,0,0|3,0,0]=4 529 B8R1.18 CC1=C(SC(=C1)Cl)Cl MCULE-2742915588 [0,1,0,0,0,0|3,0,0]=4 530 B8R1.18 CC1=C(SC(=C1)I)Cl MCULE-7370492708 [0,1,0,0,0,0|3,0,0]=4 531 B8R1.18 CC1=C(SC(=O)N1)C MCULE-3147831549 [0,1,0,0,0,0|3,0,0]=4 532 B8R1.18 CC1=CC(=C(N1)C)Br MCULE-6941290548 [0,1,0,0,0,0|3,0,0]=4 533 B8R1.18 CC1=CC(=C(O1)C)C MCULE-4079062433 [0,1,0,0,0,0|3,0,0]=4 534 B8R1.18 CC1=CC(=C(S1)Br)C MCULE-6382980397 [0,1,0,0,0,0|3,0,0]=4 535 B8R1.18 CC1=CC(=C(S1)C)C MCULE-5897025132 [0,1,0,0,0,0|3,0,0]=4 536 B8R1.18 CC1=CC(=NN1C)Br MCULE-1257507981 [0,1,0,0,0,0|3,0,0]=4 537 B8R1.18 CC1=CC(=NN1C)C MCULE-1448165985 [0,1,0,0,0,0|3,0,0]=4 538 B8R1.18 CC1=CC(=NN1C)Cl MCULE-7510550347 [0,1,0,0,0,0|3,0,0]=4 539 B8R1.18 CC1=CC(=NN1C)I MCULE-9662512319 [0,1,0,0,0,0|3,0,0]=4 540 B8R1.18 CC1=CC(=NN1C)N MCULE-2964274557 [0,1,0,0,0,0|3,0,0]=4 541 B8R1.18 CC1=CC(=NN1C)N MCULE-7580190703 [0,1,0,0,0,0|3,0,0]=4 542 B8R1.18 CC1=CC(=NN1C)N MCULE-8924336851 [0,1,0,0,0,0|3,0,0]=4 543 B8R1.18 CC1=CC(=O)N(N1)C MCULE-5732152928 [0,1,0,0,0,0|2,1,0]=4 544 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,1,0,0,0,0|1,1,0]=3 545 B8R1.18 CC1=CC(=O)NN1C MCULE-4105771613 [0,1,0,0,0,0|3,0,0]=4 546 B8R1.18 CC1=CC(=O)NN1C MCULE-5102421138 [0,1,0,0,0,0|3,0,0]=4 547 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,1,0,0,0,0|2,1,0]=4 548 B8R1.18 CC1=CN(C(=N1)Br)C MCULE-6444314724 [0,1,0,0,0,0|1,0,1]=3 549 B8R1.18 CC1=CN(C(=N1)C)C MCULE-4999984114 [0,1,0,0,0,0|1,0,1]=3 550 B8R1.18 CC1=CN(C(=N1)N)C MCULE-3042190130 [0,1,0,0,0,0|1,0,1]=3 551 B8R1.18 CC1=CN(C(=N1)N)C MCULE-9942914001 [0,1,0,0,0,0|1,0,1]=3 552 B8R1.18 CC1=CN(C(=N1)S)N MCULE-1839420842 [0,1,0,0,0,0|1,0,2]=4 553 B8R1.18 CC1=CN(C(=O)N1)C MCULE-6864157223 [0,1,0,0,0,0|0,1,0]=2 554 B8R1.18 CC1=CN([N+](=C1)C)C MCULE-1754522208 [0,1,0,0,0,0|3,0,0]=4 555 B8R1.18 CC1=CN([N+](=C1)C)C MCULE-7848007837 [0,1,0,0,0,0|3,0,0]=4 556 B8R1.18 CC1=C[C@H](NC1=O)O MCULE-7726239614 [0,1,0,0,0,0|1,1,1]=4 557 B8R1.18 CC1=C[N+](=CN1C)C MCULE-2743879769 [0,1,0,0,0,0|3,0,0]=4 558 B8R1.18 CC1=C[N+](=CN1C)C MCULE-5818735535 [0,1,0,0,0,0|3,0,0]=4 559 B8R1.18 CC1=NC(=C(N1)C)C MCULE-4443527517 [0,1,0,0,0,0|3,0,0]=4 560 B8R1.18 CC1=NC(=C(N1)C)C MCULE-9619537471 [0,1,0,0,0,0|3,0,0]=4 561 B8R1.18 CC1=NC(=C(N1)I)C MCULE-3278705123 [0,1,0,0,0,0|3,0,0]=4 562 B8R1.18 CC1=NC(=CN1C)Br MCULE-9062607980 [0,1,0,0,0,0|1,0,1]=3 563 B8R1.18 CC1=NC(=CN1C)I MCULE-4626296235 [0,1,0,0,0,0|1,0,1]=3 564 B8R1.18 CC1=NC(=CN1C)O MCULE-7502181826 [0,1,0,0,0,0|1,0,1]=3 565 B8R1.18 CC1=NC(=NN1C)Br MCULE-7910255785 [0,1,0,0,0,0|2,0,1]=4 566 B8R1.18 CC1=NC(=NN1C)Cl MCULE-6725477147 [0,1,0,0,0,0|2,0,1]=4 567 B8R1.18 CC1=NC(=NN1C)N MCULE-1364534275 [0,1,0,0,0,0|2,0,1]=4 568 B8R1.18 CC1=NN(C(=C1)Br)C MCULE-3369204750 [0,1,0,0,0,0|3,0,0]=4 569 B8R1.18 CC1=NN(C(=C1)Br)C MCULE-7458539333 [0,1,0,0,0,0|3,0,0]=4 570 B8R1.18 CC1=NN(C(=C1)Br)C MCULE-8200789805 [0,1,0,0,0,0|3,0,0]=4 571 B8R1.18 CC1=NN(C(=C1)Cl)C MCULE-4837583179 [0,1,0,0,0,0|3,0,0]=4 572 B8R1.18 CC1=NN(C(=C1)F)C MCULE-1231365641 [0,1,0,0,0,0|3,0,0]=4 573 B8R1.18 CC1=NN(C(=C1)I)C MCULE-9581043922 [0,1,0,0,0,0|3,0,0]=4 574 B8R1.18 CC1=NN(C(=C1)N)C MCULE-1485381806 [0,1,0,0,0,0|3,0,0]=4 575 B8R1.18 CC1=NN(C(=C1)N)C MCULE-7600082013 [0,1,0,0,0,0|3,0,0]=4 576 B8R1.18 CC1=NN(C(=C1)O)C MCULE-7315212286 [0,1,0,0,0,0|2,1,0]=4 577 B8R1.18 CC1=NN(C(=N1)Br)C MCULE-3326950802 [0,1,0,0,0,0|2,0,1]=4 578 B8R1.18 CC1=NN(C(=N1)Cl)C MCULE-3391912387 [0,1,0,0,0,0|2,0,1]=4 579 B8R1.18 CC1=NN(C(=N1)N)C MCULE-1212278463 [0,1,0,0,0,0|2,0,1]=4 580 B8R1.18 CC1=NN(C(=N1)N)C MCULE-5112094544 [0,1,0,0,0,0|2,0,1]=4 581 B8R1.18 CC1=NN(C(=N1)O)C MCULE-2744905561 [0,1,0,0,0,0|1,1,1]=4 582 B8R1.18 CC1=NN(C(=O)C1)C MCULE-3316902396 [0,1,0,0,0,0|2,1,0]=4 583 B8R1.18 CC1=NN(C(=S)N1)C MCULE-2121193226 [0,1,0,0,0,0|1,0,0]=2 584 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,0,0,0|1,1,1]=4 585 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,1,0,0,0,0|2,1,0]=4 586 B8R1.18 CC1NC(=S)NC1=O MCULE-8518769044 [0,1,0,0,0,0|2,1,0]=4 587 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,0,0,0|2,1,0]=4 588 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,1,0,0,0,0|2,1,0]=4 589 B8R1.18 CN1C=C(N=C1Br)Br MCULE-5325422998 [0,1,0,0,0,0|1,0,1]=3 590 B8R1.18 CN1C=C(N=C1I)I MCULE-3155292698 [0,1,0,0,0,0|1,0,1]=3 591 B8R1.18 CN1C=C(N=C1N)Br MCULE-1528062029 [0,1,0,0,0,0|1,0,1]=3 592 B8R1.18 CN1C=C(N=C1N)Br MCULE-7416809181 [0,1,0,0,0,0|1,0,1]=3 593 B8R1.18 CN1C=C(N=C1N)O MCULE-4721677175 [0,1,0,0,0,0|1,0,1]=3 594 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,1,0,0,0,0|1,1,1]=4 595 B8R1.18 CN1CC(=O)N=C1N MCULE-2231869894 [0,1,0,0,0,0|1,0,2]=4 596 B8R1.18 CN1CC(=O)NC1=N MCULE-7608108871 [0,1,0,0,0,0|1,0,1]=3 597 B8R1.18 CN1CC(=O)NC1=N MCULE-8832153777 [0,1,0,0,0,0|1,0,1]=3 598 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,1,0,0,0,0|0,1,1]=3 599 B8R1.18 CN1CC(=O)NC1=S MCULE-6474760923 [0,1,0,0,0,0|0,0,1]=2 600 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,0,0,0|1,1,1]=4 601 B8R1.18 CN1N=C(C=C1Br)Br MCULE-4582890445 [0,1,0,0,0,0|3,0,0]=4 602 B8R1.18 CN1N=C(C=C1Br)F MCULE-4201956871 [0,1,0,0,0,0|3,0,0]=4 603 B8R1.18 CN1N=C(C=C1Br)N MCULE-9334239901 [0,1,0,0,0,0|3,0,0]=4 604 B8R1.18 CN1N=C(C=C1Cl)Br MCULE-2088624925 [0,1,0,0,0,0|3,0,0]=4 605 B8R1.18 CN1N=C(C=C1Cl)N MCULE-6506083345 [0,1,0,0,0,0|3,0,0]=4 606 B8R1.18 CN1N=C(C=C1F)Br MCULE-8082838131 [0,1,0,0,0,0|3,0,0]=4 607 B8R1.18 CN1N=C(C=C1F)I MCULE-3878643283 [0,1,0,0,0,0|3,0,0]=4 608 B8R1.18 CN1N=C(C=C1F)N MCULE-6089387017 [0,1,0,0,0,0|3,0,0]=4 609 B8R1.18 CN1N=C(C=C1F)N MCULE-6709123937 [0,1,0,0,0,0|3,0,0]=4 610 B8R1.18 CN1N=C(C=C1I)N MCULE-5455068119 [0,1,0,0,0,0|3,0,0]=4 611 B8R1.18 CN1N=C(C=C1N)Br MCULE-2184397321 [0,1,0,0,0,0|3,0,0]=4 612 B8R1.18 CN1N=C(C=C1N)Cl MCULE-1204950041 [0,1,0,0,0,0|3,0,0]=4 613 B8R1.18 CN1N=C(C=C1N)Cl MCULE-4647506298 [0,1,0,0,0,0|3,0,0]=4 614 B8R1.18 CN1N=C(C=C1N)Cl MCULE-5503238773 [0,1,0,0,0,0|3,0,0]=4 615 B8R1.18 CN1N=C(C=C1N)I MCULE-1957468733 [0,1,0,0,0,0|3,0,0]=4 616 B8R1.18 CN1N=C(C=C1N)N MCULE-2682592368 [0,1,0,0,0,0|3,0,0]=4 617 B8R1.18 CN1N=C(C=C1N)N MCULE-8305908476 [0,1,0,0,0,0|3,0,0]=4 618 B8R1.18 CN1N=C(C=C1O)N MCULE-1034475402 [0,1,0,0,0,0|2,1,0]=4 619 B8R1.18 CN1N=C(CC1=O)Br MCULE-9723014196 [0,1,0,0,0,0|2,1,0]=4 620 B8R1.18 CN1N=C(N=C1Br)Br MCULE-5170699968 [0,1,0,0,0,0|2,0,1]=4 621 B8R1.18 CN1N=C(N=C1Cl)Cl MCULE-2638223439 [0,1,0,0,0,0|2,0,1]=4 622 B8R1.18 CN1N=C(N=C1N)Br MCULE-3852950287 [0,1,0,0,0,0|2,0,1]=4 623 B8R1.18 CN1N=C(N=C1N)Br MCULE-5870694909 [0,1,0,0,0,0|2,0,1]=4 624 B8R1.18 CN1N=C(N=C1N)Cl MCULE-1134033753 [0,1,0,0,0,0|2,0,1]=4 625 B8R1.18 CN1N=C(N=C1N)Cl MCULE-7197520952 [0,1,0,0,0,0|2,0,1]=4 626 B8R1.18 CN1N=C(N=C1N)N MCULE-1597054058 [0,1,0,0,0,0|2,0,1]=4 627 B8R1.18 CN1N=C(N=C1O)Br MCULE-7310607295 [0,1,0,0,0,0|1,1,1]=4 628 B8R1.18 CN1N=C(NC1=O)Cl MCULE-4149690737 [0,1,0,0,0,0|1,1,0]=3 629 B8R1.18 CN1NC(=CC1=O)N MCULE-9402016986 [0,1,0,0,0,0|2,1,0]=4 630 B8R1.18 CN1NC(=N)CC1=O MCULE-1189353766 [0,1,0,0,0,0|2,1,0]=4 631 B8R1.18 CN1NC(=O)C=C1N MCULE-9124998543 [0,1,0,0,0,0|3,0,0]=4 632 B8R1.18 CN1OC(=CC1=O)N MCULE-9415679355 [0,1,0,0,0,0|2,1,0]=4 633 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [0,1,0,0,0,0|3,0,0]=4 634 B8R1.18 CN1SC(=CC1=O)Cl MCULE-2114948755 [0,1,0,0,0,0|2,1,0]=4 635 B8R1.18 CN1SC(=CC1=O)Cl MCULE-8725009755 [0,1,0,0,0,0|2,1,0]=4 636 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,0,0,0|1,1,1]=4 637 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,1,0,0,0,0|2,1,0]=4 638 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,1,0,0,0,0|2,1,0]=4 639 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,1,0,0,0,0|1,1,1]=4 640 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,1,0,0,0,0|1,1,1]=4 641 B8R1.18 O=C1C=C(C(=O)N1)Br MCULE-6173415556 [0,1,0,0,0,0|2,1,0]=4 642 B8R1.50 C=C1N(CCN1C)C MCULE-4257807805 [0,1,0,0,0,0|1,0,2]=4 643 B8R1.50 CC1=C(C(=CS1)Br)C MCULE-9456444978 [0,1,0,0,0,0|3,0,0]=4 644 B8R1.50 CC1=C(C(=CS1)N)C MCULE-6595791851 [0,1,0,0,0,0|3,0,0]=4 645 B8R1.50 CC1=C(C(=NN1)I)C MCULE-7601750136 [0,1,0,0,0,0|3,0,0]=4 646 B8R1.50 CC1=C(C(=NN1)N)C MCULE-3364940105 [0,1,0,0,0,0|3,0,0]=4 647 B8R1.50 CC1=C(C(=NN1)N)C MCULE-4522470307 [0,1,0,0,0,0|3,0,0]=4 648 B8R1.50 CC1=C(C(=O)NC1)C MCULE-4444366984 [0,1,0,0,0,0|1,1,1]=4 649 B8R1.50 CC1=C(C=NN1C)Br MCULE-2943445881 [0,1,0,0,0,0|3,0,0]=4 650 B8R1.50 CC1=C(C=NN1C)Cl MCULE-4464227368 [0,1,0,0,0,0|3,0,0]=4 651 B8R1.50 CC1=C(C=NN1C)I MCULE-3625405761 [0,1,0,0,0,0|3,0,0]=4 652 B8R1.50 CC1=C(C=NN1C)N MCULE-1660426638 [0,1,0,0,0,0|3,0,0]=4 653 B8R1.50 CC1=C(C=NN1C)N MCULE-5715922920 [0,1,0,0,0,0|3,0,0]=4 654 B8R1.50 CC1=C(C=NN1C)N MCULE-6125793392 [0,1,0,0,0,0|3,0,0]=4 655 B8R1.50 CC1=C(C=NN1C)O MCULE-2566816087 [0,1,0,0,0,0|3,0,0]=4 656 B8R1.50 CC1=C(N(C=N1)C)Br MCULE-1802327564 [0,1,0,0,0,0|3,0,0]=4 657 B8R1.50 CC1=C(N(C=N1)C)C MCULE-4324466747 [0,1,0,0,0,0|3,0,0]=4 658 B8R1.50 CC1=C(N(C=N1)C)Cl MCULE-8948664946 [0,1,0,0,0,0|3,0,0]=4 659 B8R1.50 CC1=C(N(C=N1)C)I MCULE-4595498940 [0,1,0,0,0,0|3,0,0]=4 660 B8R1.50 CC1=C(N(C=N1)C)N MCULE-5535513749 [0,1,0,0,0,0|3,0,0]=4 661 B8R1.50 CC1=C(N(C=N1)C)N MCULE-7194989601 [0,1,0,0,0,0|3,0,0]=4 662 B8R1.50 CC1=C(N(N=C1)C)Br MCULE-2974637607 [0,1,0,0,0,0|3,0,0]=4 663 B8R1.50 CC1=C(N(N=C1)C)I MCULE-3380274676 [0,1,0,0,0,0|3,0,0]=4 664 B8R1.50 CC1=C(N(N=C1)C)N MCULE-2481541867 [0,1,0,0,0,0|3,0,0]=4 665 B8R1.50 CC1=C(N(N=C1)C)N MCULE-7967370752 [0,1,0,0,0,0|3,0,0]=4 666 B8R1.50 CC1=C(N=CN1C)Br MCULE-3451679632 [0,1,0,0,0,0|3,0,0]=4 667 B8R1.50 CC1=C(N=CN1C)Cl MCULE-5219287864 [0,1,0,0,0,0|3,0,0]=4 668 B8R1.50 CC1=C(N=CN1C)I MCULE-9801675037 [0,1,0,0,0,0|3,0,0]=4 669 B8R1.50 CC1=C(N=CN1C)N MCULE-5600701716 [0,1,0,0,0,0|3,0,0]=4 670 B8R1.50 CC1=C(N=CN1C)N MCULE-8942774268 [0,1,0,0,0,0|3,0,0]=4 671 B8R1.50 CC1=C(NN=C1Br)Br MCULE-1917520293 [0,1,0,0,0,0|3,0,0]=4 672 B8R1.50 CC1=C(NN=C1I)Br MCULE-5152590763 [0,1,0,0,0,0|3,0,0]=4 673 B8R1.50 CC1=C(NN=C1N)Br MCULE-1613233600 [0,1,0,0,0,0|3,0,0]=4 674 B8R1.50 CC1=C(NN=C1N)N MCULE-7569615928 [0,1,0,0,0,0|3,0,0]=4 675 B8R1.50 CC1=C(SC=C1Br)N MCULE-2138893790 [0,1,0,0,0,0|3,0,0]=4 676 B8R1.50 CC1=CC=C(N1C)C MCULE-4143928476 [0,1,0,0,0,0|2,0,0]=3 677 B8R1.50 CC1=CC=C(N1N)C MCULE-8750393340 [0,1,0,0,0,0|3,0,0]=4 678 B8R1.50 CC1=CC=[N+](N1C)C MCULE-1583529559 [0,1,0,0,0,0|3,0,0]=4 679 B8R1.50 CC1=CC=[N+](N1C)C MCULE-2282433038 [0,1,0,0,0,0|3,0,0]=4 680 B8R1.50 CC1=CN=C(N1C)Br MCULE-6579001930 [0,1,0,0,0,0|1,0,1]=3 681 B8R1.50 CC1=CN=C(N1C)C MCULE-4791759733 [0,1,0,0,0,0|1,0,1]=3 682 B8R1.50 CC1=CNC(=C1C)C MCULE-1561607071 [0,1,0,0,0,0|2,0,0]=3 683 B8R1.50 CC1=CSC(=C1C)Br MCULE-1284703369 [0,1,0,0,0,0|3,0,0]=4 684 B8R1.50 CC1=CSC(=S)N1C MCULE-8922061597 [0,1,0,0,0,0|1,0,0]=2 685 B8R1.50 CC1=CSC(=S)N1O MCULE-7951238450 [0,1,0,0,0,0|2,0,0]=3 686 B8R1.50 CC1=CSC(=[N+]1C)C MCULE-5132173193 [0,1,0,0,0,0|2,0,1]=4 687 B8R1.50 CC1=CSC(=[N+]1C)C MCULE-9084711109 [0,1,0,0,0,0|2,0,1]=4 688 B8R1.50 CC1=NC=C(N1C)Br MCULE-6990569599 [0,1,0,0,0,0|1,0,1]=3 689 B8R1.50 CC1=NC=C(N1C)I MCULE-9128905964 [0,1,0,0,0,0|1,0,1]=3 690 B8R1.50 CC1=NC=C(N1C)N MCULE-7575940424 [0,1,0,0,0,0|1,0,1]=3 691 B8R1.50 CC1=NN=C(N1C)Br MCULE-2832570665 [0,1,0,0,0,0|2,0,1]=4 692 B8R1.50 CC1=NN=C(N1C)N MCULE-6111251776 [0,1,0,0,0,0|2,0,1]=4 693 B8R1.50 CC1=NN=C(N1C)N MCULE-6985325149 [0,1,0,0,0,0|2,0,1]=4 694 B8R1.50 CC1=NN=C(N1C)S MCULE-9644808859 [0,1,0,0,0,0|1,0,2]=4 695 B8R1.50 CC1=NN=C(N1C)[S-] MCULE-7132189985 [0,1,0,0,0,0|1,0,2]=4 696 B8R1.50 CC1=NNC(=C1C)C MCULE-7986153155 [0,1,0,0,0,0|3,0,0]=4 697 B8R1.50 CC1=NNC(=C1C)N MCULE-7069954076 [0,1,0,0,0,0|3,0,0]=4 698 B8R1.50 CC1=NNC(=C1C)O MCULE-1837524155 [0,1,0,0,0,0|2,1,0]=4 699 B8R1.50 CC1=NNC(=O)C1C MCULE-5835053937 [0,1,0,0,0,0|2,1,0]=4 700 B8R1.50 CC1=NNC(=O)N1C MCULE-7430385178 [0,1,0,0,0,0|1,1,0]=3 701 B8R1.50 CC1=[N+](C=CN1C)C MCULE-8347450975 [0,1,0,0,0,0|1,0,1]=3 702 B8R1.50 CC1=[N+](C=CN1C)C MCULE-8352110185 [0,1,0,0,0,0|1,0,1]=3 703 B8R1.50 CN1C(=CN=C1Br)Br MCULE-5716974518 [0,1,0,0,0,0|1,0,1]=3 704 B8R1.50 CN1C(=CN=C1I)I MCULE-2180809256 [0,1,0,0,0,0|1,0,1]=3 705 B8R1.50 CN1C(=NN=C1S)N MCULE-9223379003 [0,1,0,0,0,0|1,0,2]=4 706 B8R1.50 CN1C(=O)C=CC1=O MCULE-2337038549 [0,1,0,0,0,0|1,1,0]=3 707 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [0,1,0,0,0,0|1,1,1]=4 708 B8R1.50 CN1C(=O)CNC1=O MCULE-8997643894 [0,1,0,0,0,0|0,1,1]=3 709 B8R1.50 CN1C(=O)CNC1=S MCULE-6633485185 [0,1,0,0,0,0|0,0,1]=2 710 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,1,0,0,0,0|1,1,1]=4 711 B8R1.50 CN1C(=O)CSC1=O MCULE-8837313577 [0,1,0,0,0,0|1,1,1]=4 712 B8R1.50 CN1C(=O)CSC1=S MCULE-8742608574 [0,1,0,0,0,0|1,0,1]=3 713 B8R1.50 CN1C(=O)N=NC1=O MCULE-3120186978 [0,1,0,0,0,0|1,1,1]=4 714 B8R1.50 CN1C(=O)NN=C1S MCULE-4115576499 [0,1,0,0,0,0|1,1,0]=3 715 B8R1.50 CN1C(=O)NNC1=O MCULE-9990504316 [0,1,0,0,0,0|1,1,0]=3 716 B8R1.50 CN1C(=S)NNC1=S MCULE-6689128933 [0,1,0,0,0,0|1,0,0]=2 717 B8R1.50 CN1C=CN(C1=S)C MCULE-5024935959 [0,1,0,0,0,0|0,0,0]=1 718 B8R1.50 CN1C=C[N+](=C1Cl)C MCULE-7002805958 [0,1,0,0,0,0|1,0,1]=3 719 B8R1.50 CN1C=C[N+](=C1Cl)C MCULE-7399931216 [0,1,0,0,0,0|1,0,1]=3 720 B8R1.50 CN1C=NC(=C1Br)Br MCULE-1233869697 [0,1,0,0,0,0|3,0,0]=4 721 B8R1.50 CN1C=NC(=C1Br)F MCULE-3579998767 [0,1,0,0,0,0|3,0,0]=4 722 B8R1.50 CN1C=NC(=C1Cl)Br MCULE-5300315929 [0,1,0,0,0,0|3,0,0]=4 723 B8R1.50 CN1C=NC(=C1Cl)Cl MCULE-2853992523 [0,1,0,0,0,0|3,0,0]=4 724 B8R1.50 CN1C=NC(=C1I)I MCULE-3703100403 [0,1,0,0,0,0|3,0,0]=4 725 B8R1.50 CN1CCN(C1=N)C MCULE-4613554750 [0,1,0,0,0,0|1,0,2]=4 726 B8R1.50 CN1CCN(C1=N)C MCULE-7908771693 [0,1,0,0,0,0|1,0,2]=4 727 B8R1.50 CN1CCN(C1=N)C MCULE-9738111026 [0,1,0,0,0,0|1,0,2]=4 728 B8R1.50 CN1CCN(C1=O)C MCULE-4012400107 [0,1,0,0,0,0|0,1,2]=4 729 B8R1.50 CN1CCN(C1=S)C MCULE-2289522173 [0,1,0,0,0,0|0,0,2]=3 730 B8R1.50 CN1N=CC(=C1Br)F MCULE-7064220829 [0,1,0,0,0,0|3,0,0]=4 731 B8R1.50 CN1N=CC(=C1Cl)N MCULE-2061180478 [0,1,0,0,0,0|3,0,0]=4 732 B8R1.50 CN1N=CC(=C1Cl)N MCULE-5276024822 [0,1,0,0,0,0|3,0,0]=4 733 B8R1.50 CN1N=CC(=C1Cl)O MCULE-2872577240 [0,1,0,0,0,0|3,0,0]=4 734 B8R1.50 CN1N=CC(=C1F)Br MCULE-6843258904 [0,1,0,0,0,0|3,0,0]=4 735 B8R1.50 CN1N=CC(=C1F)I MCULE-9689798868 [0,1,0,0,0,0|3,0,0]=4 736 B8R1.50 CN1N=CC(=C1I)Cl MCULE-7150294946 [0,1,0,0,0,0|3,0,0]=4 737 B8R1.50 CN1N=CC(=C1I)N MCULE-1924201437 [0,1,0,0,0,0|3,0,0]=4 738 B8R1.50 CN1N=CC(=C1I)N MCULE-9361314337 [0,1,0,0,0,0|3,0,0]=4 739 B8R1.50 CN1N=CC(=C1N)Br MCULE-4567433902 [0,1,0,0,0,0|3,0,0]=4 740 B8R1.50 CN1N=CC(=C1N)Br MCULE-4625067405 [0,1,0,0,0,0|3,0,0]=4 741 B8R1.50 CN1N=CC(=C1N)Br MCULE-5182515565 [0,1,0,0,0,0|3,0,0]=4 742 B8R1.50 CN1N=CC(=C1N)Cl MCULE-4497682823 [0,1,0,0,0,0|3,0,0]=4 743 B8R1.50 CN1N=CC(=C1N)F MCULE-1352161896 [0,1,0,0,0,0|3,0,0]=4 744 B8R1.50 CN1N=CC(=C1N)F MCULE-8717706445 [0,1,0,0,0,0|3,0,0]=4 745 B8R1.50 CN1N=CC(=C1N)I MCULE-5774991757 [0,1,0,0,0,0|3,0,0]=4 746 B8R1.50 CN1N=CC(=C1N)N MCULE-6327475946 [0,1,0,0,0,0|3,0,0]=4 747 B8R1.50 CN1N=CC(=C1N)N MCULE-8171524109 [0,1,0,0,0,0|3,0,0]=4 748 B8R1.50 CN1N=CC(=C1O)Br MCULE-5789648830 [0,1,0,0,0,0|2,1,0]=4 749 B8R1.50 CN1N=CN(C1=O)N MCULE-8289494181 [0,1,0,0,0,0|1,1,0]=3 750 B8R1.50 NN1C(=O)CNC1=O MCULE-3172416594 [0,1,0,0,0,0|1,1,1]=4 751 B8R1.50 NN1C(=O)CSC1=S MCULE-7853752310 [0,1,0,0,0,0|2,0,1]=4 752 B8R1.50 NN1C(=O)NNC1=O MCULE-6234762498 [0,1,0,0,0,0|2,1,0]=4 753 B8R1.50 O=C1C=CC(=O)N1Cl MCULE-3334700253 [0,1,0,0,0,0|2,1,0]=4 754 B8R1.50 O=C1C=CC(=O)N1O MCULE-9775072223 [0,1,0,0,0,0|2,1,0]=4 755 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [0,0,1,0,0,0|1,1,0]=3 756 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,0,1,0,0,0|2,1,0]=4 757 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,0,1,0,0,0|2,1,0]=4 758 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,0,1,0,0,0|0,1,2]=4 759 B6R0.1 CCNC(=S)NN MCULE-9599210899 [0,0,1,0,0,0|1,0,2]=4 760 B6R0.1 CNC(=N)NC#N MCULE-3777179961 [0,0,1,0,0,0|2,0,1]=4 761 B6R0.1 CNC(=S)NC#N MCULE-2638134518 [0,0,1,0,0,0|1,0,1]=3 762 B6R0.1 CNC(=S)NCO MCULE-2829573844 [0,0,1,0,0,0|1,0,1]=3 763 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,0,1,0,0,0|2,1,0]=4 764 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,0,1,0,0,0|1,1,1]=4 765 B6R0.3 C=C(C)C(=O)NN MCULE-5114453960 [0,0,1,0,0,0|2,1,0]=4 766 B6R0.3 C=CC(=O)N(C)C MCULE-3105693382 [0,0,1,0,0,0|1,1,1]=4 767 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,0,1,0,0,0|2,1,0]=4 768 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [0,0,1,0,0,0|1,1,0]=3 769 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,0,1,0,0,0|2,1,0]=4 770 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,0,1,0,0,0|2,1,0]=4 771 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,0,1,0,0,0|2,1,0]=4 772 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,0,1,0,0,0|2,1,0]=4 773 B6R0.3 CCC(=S)N(C)C MCULE-7026282622 [0,0,1,0,0,0|1,0,2]=4 774 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,0,1,0,0,0|1,0,2]=4 775 B6R0.3 CCN(C)C(=N)N MCULE-1941465818 [0,0,1,0,0,0|1,0,2]=4 776 B6R0.3 CN(C)C(=O)NN MCULE-1456206497 [0,0,1,0,0,0|1,1,1]=4 777 B6R0.3 CN(C)C(=O)NO MCULE-7406409363 [0,0,1,0,0,0|1,1,1]=4 778 B6R0.3 CN(C)C(=S)NN MCULE-8404262806 [0,0,1,0,0,0|1,0,1]=3 779 B6R0.3 CN(N)C(=O)NO MCULE-9258932516 [0,0,1,0,0,0|2,1,0]=4 780 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [0,0,1,0,0,0|2,1,0]=4 781 B6R0.3 CNC(=O)N(C)C MCULE-3799320827 [0,0,1,0,0,0|0,1,2]=4 782 B6R0.3 CNC(=S)N(C)C MCULE-5004489808 [0,0,1,0,0,0|0,0,2]=3 783 B6R0.3 CNC(=S)N(C)N MCULE-5065441902 [0,0,1,0,0,0|1,0,1]=3 784 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,0,1,0,0,0|2,0,1]=4 785 B6R0.3 CSC(=S)N(C)C MCULE-5137103210 [0,0,1,0,0,0|1,0,2]=4 786 B6R0.6 C/C=C/C=C/C=O MCULE-9837225903 [0,0,1,0,0,0|2,1,0]=4 787 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [0,0,1,0,0,0|2,1,0]=4 788 B6R0.6 CC=CC=CC=O MCULE-7370101773 [0,0,1,0,0,0|2,1,0]=4 789 B6R0.6 CCC=CCC=O MCULE-5764198290 [0,0,1,0,0,0|2,1,0]=4 790 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,0,1,0|1,1,1]=4 791 B8R1.4 CC1=CC(=CC=C1)F MCULE-6045140729 [0,0,0,0,0,1|3,0,0]=4 792 B8R1.4 CC1=CC(=CC=C1)I MCULE-3795791692 [0,0,0,0,0,1|3,0,0]=4 793 B8R1.4 CC1=CC(=CC=C1)N MCULE-1920471804 [0,0,0,0,0,1|3,0,0]=4 794 B8R1.4 CC1=CC(=CC=C1)N MCULE-5245184326 [0,0,0,0,0,1|3,0,0]=4 795 B8R1.4 CC1=CC(=CC=C1)O MCULE-6836106503 [0,0,0,0,0,1|2,1,0]=4 796 B8R1.4 CC1=CC(=NC=C1)Br MCULE-8988330220 [0,0,0,0,0,1|2,0,1]=4 797 B8R1.4 CC1=CC(=NC=C1)F MCULE-4154941851 [0,0,0,0,0,1|2,0,1]=4 798 B8R1.4 CC1=CC(=NC=C1)I MCULE-6014268393 [0,0,0,0,0,1|2,0,1]=4 799 B8R1.4 CC1=CC(=NC=C1)O MCULE-3234180258 [0,0,0,0,0,1|1,1,1]=4 800 B8R1.4 CC1=CC(=NC=C1)S MCULE-3675734533 [0,0,0,0,0,1|1,0,2]=4 801 B8R1.4 CC1=CC(=O)NC=N1 MCULE-4546584000 [0,0,0,0,0,1|2,1,0]=4 802 B8R1.4 CC1=CC(=O)NN=C1 MCULE-4739919200 [0,0,0,0,0,1|2,1,0]=4 803 B8R1.4 CC1=CC(=S)NC=N1 MCULE-6467145460 [0,0,0,0,0,1|2,0,0]=3 804 B8R1.4 CC1=CC=CC(=C1)Br MCULE-4991934524 [0,0,0,0,0,1|3,0,0]=4 805 B8R1.4 CC1=CC=CC(=C1)C MCULE-9376558510 [0,0,0,0,0,1|3,0,0]=4 806 B8R1.4 CC1=CC=CC(=C1)Cl MCULE-9550807032 [0,0,0,0,0,1|3,0,0]=4 807 B8R1.4 CC1=CC=CC(=C1)N MCULE-1279166450 [0,0,0,0,0,1|3,0,0]=4 808 B8R1.4 CC1=CC=CC(=C1)N MCULE-5301195436 [0,0,0,0,0,1|3,0,0]=4 809 B8R1.4 CC1=CC=CC(=C1)S MCULE-6507261580 [0,0,0,0,0,1|2,0,1]=4 810 B8R1.4 CC1=CC=CC(=C1)[O-] MCULE-8199453116 [0,0,0,0,0,1|2,1,0]=4 811 B8R1.4 CC1=CC=CC(=N1)Br MCULE-5449488171 [0,0,0,0,0,1|3,0,0]=4 812 B8R1.4 CC1=CC=CC(=N1)C MCULE-7437303122 [0,0,0,0,0,1|3,0,0]=4 813 B8R1.4 CC1=CC=CC(=N1)C MCULE-9899916337 [0,0,0,0,0,1|3,0,0]=4 814 B8R1.4 CC1=CC=CC(=N1)Cl MCULE-5983649332 [0,0,0,0,0,1|3,0,0]=4 815 B8R1.4 CC1=CC=CC(=N1)F MCULE-1236906403 [0,0,0,0,0,1|3,0,0]=4 816 B8R1.4 CC1=CC=CC(=N1)I MCULE-7577310384 [0,0,0,0,0,1|3,0,0]=4 817 B8R1.4 CC1=CC=CC(=N1)N MCULE-5016880155 [0,0,0,0,0,1|3,0,0]=4 818 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [0,0,0,0,0,1|2,1,0]=4 819 B8R1.4 CC1=CC=CC(=S)N1 MCULE-5057123376 [0,0,0,0,0,1|2,0,0]=3 820 B8R1.4 CC1=CC=NC(=C1)C MCULE-4424416466 [0,0,0,0,0,1|2,0,1]=4 821 B8R1.4 CC1=CC=NC(=C1)Cl MCULE-4977719137 [0,0,0,0,0,1|2,0,1]=4 822 B8R1.4 CC1=CC=NC(=C1)N MCULE-2912880619 [0,0,0,0,0,1|2,0,1]=4 823 B8R1.4 CC1=CC=NC(=N1)Br MCULE-7647317023 [0,0,0,0,0,1|2,0,1]=4 824 B8R1.4 CC1=CC=NC(=N1)Cl MCULE-7611590161 [0,0,0,0,0,1|2,0,1]=4 825 B8R1.4 CC1=CC=NC(=O)C1 MCULE-4882777367 [0,0,0,0,0,1|1,1,1]=4 826 B8R1.4 CC1=CC=NC(=O)N1 MCULE-6541642341 [0,0,0,0,0,1|1,1,1]=4 827 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6773374255 [0,0,0,0,0,1|3,0,0]=4 828 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6777516279 [0,0,0,0,0,1|3,0,0]=4 829 B8R1.4 CC1=NC(=NC=C1)C MCULE-8802802250 [0,0,0,0,0,1|2,0,1]=4 830 B8R1.4 CC1=NC(=NC=C1)I MCULE-5951893872 [0,0,0,0,0,1|2,0,1]=4 831 B8R1.4 CC1=NC(=NC=C1)N MCULE-5796368820 [0,0,0,0,0,1|2,0,1]=4 832 B8R1.4 CC1=NC(=NC=C1)S MCULE-2052857874 [0,0,0,0,0,1|1,0,2]=4 833 B8R1.4 CC1=NC(=NC=C1)S MCULE-3346030220 [0,0,0,0,0,1|1,0,2]=4 834 B8R1.4 CC1=NC(=O)C=CN1 MCULE-5044952802 [0,0,0,0,0,1|3,0,0]=4 835 B8R1.4 CC1=NC(=O)NC=C1 MCULE-2973571138 [0,0,0,0,0,1|1,1,0]=3 836 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,0,0,0,0,1|0,1,2]=4 837 B8R1.4 C[N+]1=CC(=CC=C1)N MCULE-4555031146 [0,0,0,0,0,1|2,0,1]=4 838 B8R1.4 C[N+]1=CC(=CC=C1)N MCULE-7467812000 [0,0,0,0,0,1|2,0,1]=4 839 B8R1.4 C[N+]1=CC(=CC=C1)O MCULE-3080525423 [0,0,0,0,0,1|1,1,1]=4 840 B8R1.4 C[N+]1=CC(=CC=C1)O MCULE-9199830919 [0,0,0,0,0,1|1,1,1]=4 841 B8R1.4 C[N+]1=CC(=CC=C1)O MCULE-9774407391 [0,0,0,0,0,1|1,1,1]=4 842 B8R1.4 C[N+]1=CC=CC(=C1)Br MCULE-4381854301 [0,0,0,0,0,1|2,0,1]=4 843 B8R1.4 C[N+]1=CC=CC(=C1)Br MCULE-9257476105 [0,0,0,0,0,1|2,0,1]=4 844 B8R1.4 C[N+]1=CC=CC(=C1)Cl MCULE-8120377813 [0,0,0,0,0,1|2,0,1]=4 845 B8R1.4 C[N+]1=CC=CC(=C1)Cl MCULE-8851733175 [0,0,0,0,0,1|2,0,1]=4 846 B8R1.4 C[N+]1=CC=CC(=C1)Cl MCULE-9872161215 [0,0,0,0,0,1|2,0,1]=4 847 B8R1.4 C[N+]1=CC=CC(=C1)I MCULE-1625966700 [0,0,0,0,0,1|2,0,1]=4 848 B8R1.4 C[N+]1=CC=CC(=C1)I MCULE-1914951817 [0,0,0,0,0,1|2,0,1]=4 849 B8R1.4 C[N+]1=CC=CC(=C1)I MCULE-8690034431 [0,0,0,0,0,1|2,0,1]=4 850 B8R1.4 C[N+]1=CC=NC(=C1)Cl MCULE-6854271635 [0,0,0,0,0,1|1,0,2]=4 851 B8R1.4 C[N+]1=CC=NC(=C1)Cl MCULE-7334600244 [0,0,0,0,0,1|1,0,2]=4 852 B8R1.4 C[N+]1=CC=NC(=C1)N MCULE-1099384595 [0,0,0,0,0,1|1,0,2]=4 853 B8R1.4 C[N+]1=CC=NC(=C1)N MCULE-7723020912 [0,0,0,0,0,1|1,0,2]=4 854 B8R1.4 NC1=NC(=O)NC=C1 MCULE-4426252594 [0,0,0,0,0,1|2,1,0]=4 855 B8R1.4 NC1=NC(=O)NC=C1 MCULE-5444602171 [0,0,0,0,0,1|2,1,0]=4 856 B8R1.4 O=C1C=C(C=CN1)F MCULE-3668200526 [0,0,0,0,0,1|2,1,0]=4 857 B8R1.4 O=C1C=C(C=CN1)I MCULE-3087331274 [0,0,0,0,0,1|2,1,0]=4 858 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [0,0,0,0,0,1|2,1,0]=4 859 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [0,0,0,0,0,1|2,1,0]=4 860 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [0,0,0,0,0,1|2,1,0]=4 861 B8R1.4 O=C1N=C(C=CN1)Cl MCULE-6239849546 [0,0,0,0,0,1|2,1,0]=4 862 B8R1.4 S=C1C=NNC(=S)N1 MCULE-7897746903 [0,0,0,0,0,1|3,0,0]=4 863 B8R1.4 S=C1N=CC=C(N1)Cl MCULE-1741017791 [0,0,0,0,0,1|2,0,1]=4 864 B8R1.5 CC1=C(C=CC=C1)Br MCULE-5867809054 [0,0,0,0,0,1|3,0,0]=4 865 B8R1.5 CC1=C(C=CC=C1)Cl MCULE-2832835864 [0,0,0,0,0,1|3,0,0]=4 866 B8R1.5 CC1=C(C=CC=C1)F MCULE-4058961323 [0,0,0,0,0,1|3,0,0]=4 867 B8R1.5 CC1=C(C=CC=C1)I MCULE-5226243046 [0,0,0,0,0,1|3,0,0]=4 868 B8R1.5 CC1=C(C=CC=C1)N MCULE-1459156774 [0,0,0,0,0,1|3,0,0]=4 869 B8R1.5 CC1=C(C=CC=C1)N MCULE-2695214373 [0,0,0,0,0,1|3,0,0]=4 870 B8R1.5 CC1=C(C=CC=C1)O MCULE-4124485112 [0,0,0,0,0,1|2,1,0]=4 871 B8R1.5 CC1=C(C=CC=C1)S MCULE-6476564431 [0,0,0,0,0,1|2,0,1]=4 872 B8R1.5 CC1=C(C=CC=N1)Br MCULE-6578029361 [0,0,0,0,0,1|3,0,0]=4 873 B8R1.5 CC1=C(C=CC=N1)Cl MCULE-6500327143 [0,0,0,0,0,1|3,0,0]=4 874 B8R1.5 CC1=C(C=CC=N1)N MCULE-9641202098 [0,0,0,0,0,1|3,0,0]=4 875 B8R1.5 CC1=C(C=CC=N1)S MCULE-9803030204 [0,0,0,0,0,1|2,0,1]=4 876 B8R1.5 CC1=C(C=CN=C1)Br MCULE-4182598284 [0,0,0,0,0,1|3,0,0]=4 877 B8R1.5 CC1=C(C=CN=C1)Br MCULE-5097258045 [0,0,0,0,0,1|3,0,0]=4 878 B8R1.5 CC1=C(C=CN=C1)Br MCULE-8939501056 [0,0,0,0,0,1|3,0,0]=4 879 B8R1.5 CC1=C(C=CN=C1)Cl MCULE-2009988820 [0,0,0,0,0,1|3,0,0]=4 880 B8R1.5 CC1=C(C=CN=C1)F MCULE-3017421856 [0,0,0,0,0,1|3,0,0]=4 881 B8R1.5 CC1=C(C=CN=C1)F MCULE-6112439648 [0,0,0,0,0,1|3,0,0]=4 882 B8R1.5 CC1=C(C=CN=C1)N MCULE-1868817412 [0,0,0,0,0,1|3,0,0]=4 883 B8R1.5 CC1=C(C=CN=C1)N MCULE-8559651431 [0,0,0,0,0,1|3,0,0]=4 884 B8R1.5 CC1=C(C=CN=C1)O MCULE-9196997081 [0,0,0,0,0,1|2,1,0]=4 885 B8R1.5 CC1=C(C=CN=C1)S MCULE-3929338586 [0,0,0,0,0,1|2,0,1]=4 886 B8R1.5 CC1=C(C=C[NH+]=C1)Cl MCULE-4082853098 [0,0,0,0,0,1|3,0,0]=4 887 B8R1.5 CC1=C(C=NC=C1)Br MCULE-2655761132 [0,0,0,0,0,1|2,0,1]=4 888 B8R1.5 CC1=C(C=NC=C1)Cl MCULE-3026797497 [0,0,0,0,0,1|2,0,1]=4 889 B8R1.5 CC1=C(C=NC=C1)F MCULE-4563432299 [0,0,0,0,0,1|2,0,1]=4 890 B8R1.5 CC1=C(C=NC=C1)I MCULE-1396354752 [0,0,0,0,0,1|2,0,1]=4 891 B8R1.5 CC1=C(C=NC=C1)N MCULE-3638373448 [0,0,0,0,0,1|2,0,1]=4 892 B8R1.5 CC1=C(C=NC=C1)O MCULE-4421180042 [0,0,0,0,0,1|1,1,1]=4 893 B8R1.5 CC1=C(C=NC=C1)S MCULE-3213541315 [0,0,0,0,0,1|1,0,2]=4 894 B8R1.5 CC1=C(N=CC=C1)C MCULE-2317966331 [0,0,0,0,0,1|2,0,1]=4 895 B8R1.5 CC1=C(N=CC=C1)Cl MCULE-5973332807 [0,0,0,0,0,1|2,0,1]=4 896 B8R1.5 CC1=C(N=CC=C1)N MCULE-4505556012 [0,0,0,0,0,1|2,0,1]=4 897 B8R1.5 CC1=C(N=CC=C1)S MCULE-4219810898 [0,0,0,0,0,1|1,0,2]=4 898 B8R1.5 CC1=C(N=CC=N1)C MCULE-4503796486 [0,0,0,0,0,1|2,0,1]=4 899 B8R1.5 CC1=C(N=CC=N1)O MCULE-9717185036 [0,0,0,0,0,1|1,1,1]=4 900 B8R1.5 CC1=C(N=CN=C1)C MCULE-3773296127 [0,0,0,0,0,1|2,0,1]=4 901 B8R1.5 CC1=C(N=CN=C1)C MCULE-5808444610 [0,0,0,0,0,1|2,0,1]=4 902 B8R1.5 CC1=C(N=NC=C1)Br MCULE-8087700234 [0,0,0,0,0,1|2,0,1]=4 903 B8R1.5 CC1=C(N=NC=C1)C MCULE-2628080707 [0,0,0,0,0,1|2,0,1]=4 904 B8R1.5 CC1=C(N=NC=C1)Cl MCULE-1658431293 [0,0,0,0,0,1|2,0,1]=4 905 B8R1.5 CC1=C(N=NC=C1)N MCULE-7634358972 [0,0,0,0,0,1|2,0,1]=4 906 B8R1.5 CC1=CC=CC=C1C MCULE-2208963094 [0,0,0,0,0,1|3,0,0]=4 907 B8R1.5 CC1=CC=CC=C1N MCULE-4254037883 [0,0,0,0,0,1|3,0,0]=4 908 B8R1.5 CC1=CC=CC=C1[O-] MCULE-3283477199 [0,0,0,0,0,1|2,1,0]=4 909 B8R1.5 CC1=CC=CN=C1Br MCULE-1253867272 [0,0,0,0,0,1|2,0,1]=4 910 B8R1.5 CC1=CC=CN=C1F MCULE-2317873361 [0,0,0,0,0,1|2,0,1]=4 911 B8R1.5 CC1=CC=CN=C1I MCULE-6176909597 [0,0,0,0,0,1|2,0,1]=4 912 B8R1.5 CC1=CC=CN=C1N MCULE-4786050489 [0,0,0,0,0,1|2,0,1]=4 913 B8R1.5 CC1=CC=CNC1=O MCULE-8735614074 [0,0,0,0,0,1|1,1,0]=3 914 B8R1.5 CC1=CC=NC=C1C MCULE-3228489734 [0,0,0,0,0,1|2,0,1]=4 915 B8R1.5 CC1=CC=NN=C1Cl MCULE-6552896769 [0,0,0,0,0,1|2,0,1]=4 916 B8R1.5 CC1=CC=NNC1=O MCULE-4615705346 [0,0,0,0,0,1|1,1,0]=3 917 B8R1.5 CC1=CN=CN=C1Br MCULE-7064716249 [0,0,0,0,0,1|2,0,1]=4 918 B8R1.5 CC1=CN=CN=C1Cl MCULE-8089371585 [0,0,0,0,0,1|2,0,1]=4 919 B8R1.5 CC1=CN=CN=C1Cl MCULE-9556036449 [0,0,0,0,0,1|2,0,1]=4 920 B8R1.5 CC1=CN=CN=C1N MCULE-6568931864 [0,0,0,0,0,1|2,0,1]=4 921 B8R1.5 CC1=CN=CN=C1N MCULE-8966913634 [0,0,0,0,0,1|2,0,1]=4 922 B8R1.5 CC1=CN=CN=C1O MCULE-8835089065 [0,0,0,0,0,1|1,1,1]=4 923 B8R1.5 CC1=NC=CC=C1F MCULE-2531071732 [0,0,0,0,0,1|3,0,0]=4 924 B8R1.5 CC1=NC=CC=C1I MCULE-3708019579 [0,0,0,0,0,1|3,0,0]=4 925 B8R1.5 CC1=NC=CC=C1O MCULE-5234565173 [0,0,0,0,0,1|2,1,0]=4 926 B8R1.5 CC1=NC=CC=C1O MCULE-8707169056 [0,0,0,0,0,1|2,1,0]=4 927 B8R1.5 CC1=NC=CN=C1Br MCULE-3918226124 [0,0,0,0,0,1|2,0,1]=4 928 B8R1.5 CC1=NC=CN=C1Cl MCULE-4290210637 [0,0,0,0,0,1|2,0,1]=4 929 B8R1.5 CC1=NC=CN=C1I MCULE-7775261673 [0,0,0,0,0,1|2,0,1]=4 930 B8R1.5 CC1=NC=CN=C1N MCULE-3139305728 [0,0,0,0,0,1|2,0,1]=4 931 B8R1.5 CC1=NC=CNC1=O MCULE-8764563866 [0,0,0,0,0,1|1,1,0]=3 932 B8R1.5 CC1=NNC=NC1=S MCULE-3210020545 [0,0,0,0,0,1|2,0,1]=4 933 B8R1.5 CC1=[N+](C=CC=C1)C MCULE-6493063500 [0,0,0,0,0,1|2,0,1]=4 934 B8R1.5 CC1=[N+](C=CC=C1)C MCULE-9776595816 [0,0,0,0,0,1|2,0,1]=4 935 B8R1.5 CN1C=CC=CC1=N MCULE-3355276214 [0,0,0,0,0,1|2,0,0]=3 936 B8R1.5 CN1C=CC=CC1=O MCULE-8858407794 [0,0,0,0,0,1|1,1,0]=3 937 B8R1.5 CN1C=CC=CC1=S MCULE-6944540671 [0,0,0,0,0,1|1,0,0]=2 938 B8R1.5 CN1C=CC=NC1=N MCULE-2512515832 [0,0,0,0,0,1|1,0,1]=3 939 B8R1.5 CN1C=CC=NC1=N MCULE-8360905299 [0,0,0,0,0,1|1,0,1]=3 940 B8R1.5 CN1C=CC=NC1=O MCULE-8455265922 [0,0,0,0,0,1|0,1,1]=3 941 B8R1.5 CN1C=CC=NC1=S MCULE-5507632010 [0,0,0,0,0,1|0,0,1]=2 942 B8R1.5 CN1C=NC=CC1=O MCULE-8061844419 [0,0,0,0,0,1|1,1,0]=3 943 B8R1.5 CN1CCCNC1=O MCULE-3141639397 [0,0,0,0,0,1|0,1,2]=4 944 B8R1.5 CN1CCCNC1=S MCULE-2262321761 [0,0,0,0,0,1|0,0,2]=3 945 B8R1.5 CN1CCNCC1=O MCULE-4783963074 [0,0,0,0,0,1|0,1,2]=4 946 B8R1.5 CN1CCNCC1=O MCULE-7251084542 [0,0,0,0,0,1|0,1,2]=4 947 B8R1.5 CN1CCNCC1=O MCULE-9201460493 [0,0,0,0,0,1|0,1,2]=4 948 B8R1.5 CN1CCNCC1=O MCULE-9789420240 [0,0,0,0,0,1|0,1,2]=4 949 B8R1.5 C[N+]1=C(C=CC=C1)Br MCULE-8354837296 [0,0,0,0,0,1|2,0,1]=4 950 B8R1.5 C[N+]1=C(C=CC=C1)Br MCULE-8682911607 [0,0,0,0,0,1|2,0,1]=4 951 B8R1.5 C[N+]1=C(C=CC=C1)F MCULE-8489235973 [0,0,0,0,0,1|2,0,1]=4 952 B8R1.5 C[N+]1=C(C=CC=C1)I MCULE-1957306232 [0,0,0,0,0,1|2,0,1]=4 953 B8R1.5 C[N+]1=C(C=CC=C1)I MCULE-5977535106 [0,0,0,0,0,1|2,0,1]=4 954 B8R1.5 C[N+]1=C(N=CC=C1)N MCULE-5441651651 [0,0,0,0,0,1|1,0,2]=4 955 B8R1.5 C[N+]1=C(N=CC=C1)N MCULE-9638109208 [0,0,0,0,0,1|1,0,2]=4 956 B8R1.5 C[N+]1=CC=CC=C1Cl MCULE-7258428623 [0,0,0,0,0,1|2,0,1]=4 957 B8R1.5 C[N+]1=CC=CC=C1Cl MCULE-8638251148 [0,0,0,0,0,1|2,0,1]=4 958 B8R1.5 C[N+]1=CC=CC=C1N MCULE-2743273539 [0,0,0,0,0,1|2,0,1]=4 959 B8R1.5 C[N+]1=CC=CC=C1N MCULE-5842242242 [0,0,0,0,0,1|2,0,1]=4 960 B8R1.5 FC1=CC=CNC1=S MCULE-9261750723 [0,0,0,0,0,1|2,0,0]=3 961 B8R1.5 NC1=CC=CNC1=O MCULE-2705834056 [0,0,0,0,0,1|2,1,0]=4 962 B8R1.5 NC1=CC=NNC1=O MCULE-8399809124 [0,0,0,0,0,1|2,1,0]=4 963 B8R1.5 NC1=CC=NNC1=S MCULE-7594544373 [0,0,0,0,0,1|2,0,0]=3 964 B8R1.5 NC1=CN=CNC1=O MCULE-3512580009 [0,0,0,0,0,1|2,1,0]=4 965 B8R1.5 NC1=CN=CNC1=S MCULE-8218091036 [0,0,0,0,0,1|2,0,0]=3 966 B8R1.5 NC1=NC=CNC1=O MCULE-6254794637 [0,0,0,0,0,1|2,1,0]=4 967 B8R1.5 NN1C=CC=CC1=O MCULE-6844638196 [0,0,0,0,0,1|2,1,0]=4 968 B8R1.5 O=C1C=CC=CN1O MCULE-1310193547 [0,0,0,0,0,1|2,1,0]=4 969 B8R1.5 O=C1NC=CN=C1Cl MCULE-6701443640 [0,0,0,0,0,1|2,1,0]=4 970 B8R1.5 O=C1NC=CNC1=O MCULE-2590826589 [0,0,0,0,0,1|2,1,0]=4 971 B8R1.5 O=C1NC=NC=C1Br MCULE-1914932585 [0,0,0,0,0,1|2,1,0]=4 972 B8R1.5 O=C1NC=NC=C1Br MCULE-4797439815 [0,0,0,0,0,1|2,1,0]=4 973 B8R1.5 O=C1NC=NC=C1Br MCULE-8279175534 [0,0,0,0,0,1|2,1,0]=4 974 B8R1.5 O=C1NC=NC=C1O MCULE-6640057101 [0,0,0,0,0,1|2,1,0]=4 975 B8R1.5 O=C1NN=CC=C1Br MCULE-3017952463 [0,0,0,0,0,1|2,1,0]=4 976 B8R1.5 O=C1NN=CC=C1Br MCULE-7863801387 [0,0,0,0,0,1|2,1,0]=4 977 B8R1.5 ON1C=CC=CC1=S MCULE-8509311308 [0,0,0,0,0,1|2,0,0]=3 978 B8R1.5 [O-]N1C=CC=CC1=S MCULE-2121751759 [0,0,0,0,0,1|2,0,0]=3 979 B8R1.5 [O-]N1C=CC=CC1=S MCULE-4375573914 [0,0,0,0,0,1|2,0,0]=3 980 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,0,1,0,0,0|2,0,0]=4 981 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,0,1,0,0,0|2,0,0]=4 982 B5R0.1 C=CCC(=N)N MCULE-6305125234 [1,0,1,0,0,0|2,0,0]=4 983 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,1,0,0,0|1,1,0]=4 984 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,1,0,0,0|0,1,0]=3 985 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,0,1,0,0,0|0,1,0]=3 986 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,1,0,0,0|1,1,0]=4 987 B5R0.1 C=NCC(=S)N MCULE-6261527142 [1,0,1,0,0,0|2,0,0]=4 988 B5R0.1 CCNC(=S)N MCULE-3849517146 [1,0,1,0,0,0|0,0,2]=4 989 B5R0.1 CNNC(=S)N MCULE-5838387497 [1,0,1,0,0,0|1,0,1]=4 990 B5R0.1 CONC(=S)C MCULE-1876042939 [1,0,1,0,0,0|1,0,1]=4 991 B5R0.1 N=C(N)NC=O MCULE-2702198735 [1,0,1,0,0,0|2,0,0]=4 992 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [1,0,1,0,0,0|2,0,0]=4 993 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,0,1,0,0,0|2,0,0]=4 994 B5R0.2 C=CC/C=C/C MCULE-8732875285 [1,0,1,0,0,0|2,0,0]=4 995 B5R0.2 C=CCC=CC MCULE-8643449832 [1,0,1,0,0,0|2,0,0]=4 996 B5R0.2 C=CCCNC MCULE-2124263362 [1,0,1,0,0,0|1,0,1]=4 997 B5R0.2 C=CCCNC MCULE-5024925990 [1,0,1,0,0,0|1,0,1]=4 998 B5R0.2 C=CCONC MCULE-4537899476 [1,0,1,0,0,0|2,0,0]=4 999 B5R0.2 C=CCONC MCULE-9645204142 [1,0,1,0,0,0|2,0,0]=4 1000 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,0,1,0,0,0|1,1,0]=4 1001 B5R0.2 CC=CC=CC MCULE-7702675183 [1,0,1,0,0,0|2,0,0]=4 1002 B5R0.2 CCC=CC=O MCULE-1318250395 [1,0,1,0,0,0|1,1,0]=4 1003 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [1,0,1,0,0,0|1,1,0]=4 1004 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [1,0,1,0,0,0|2,0,0]=4 1005 B5R0.3 C=CC(=CC)C MCULE-8585683674 [1,0,1,0,0,0|2,0,0]=4 1006 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,0,1,0,0,0|1,1,0]=4 1007 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,0,1,0,0,0|0,1,0]=3 1008 B5R0.3 C=CC(=O)NN MCULE-4327484127 [1,0,1,0,0,0|1,1,0]=4 1009 B5R0.3 C=CC(=O)NN MCULE-4961696321 [1,0,1,0,0,0|1,1,0]=4 1010 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,0,1,0,0,0|1,1,0]=4 1011 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,0,1,0,0,0|1,1,0]=4 1012 B5R0.3 C=CC(C)NC MCULE-1929679074 [1,0,1,0,0,0|1,0,1]=4 1013 B5R0.3 C=CC(C)NC MCULE-6382339452 [1,0,1,0,0,0|1,0,1]=4 1014 B5R0.3 C=CC(C)ON MCULE-2385478473 [1,0,1,0,0,0|2,0,0]=4 1015 B5R0.3 C=CC(C)ON MCULE-3428023923 [1,0,1,0,0,0|2,0,0]=4 1016 B5R0.3 CC(=CN)C=O MCULE-5507488903 [1,0,1,0,0,0|1,1,0]=4 1017 B5R0.3 CN(C=O)C=O MCULE-7774435044 [1,0,1,0,0,0|1,1,0]=4 1018 B5R0.3 CNC(=N)NC MCULE-7703075263 [1,0,1,0,0,0|1,0,1]=4 1019 B5R0.3 CNC(=N)NN MCULE-4836793349 [1,0,1,0,0,0|2,0,0]=4 1020 B5R0.3 CNC(=N)NN MCULE-5998297944 [1,0,1,0,0,0|2,0,0]=4 1021 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,0,1,0,0,0|0,1,1]=4 1022 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,0,1,0,0,0|1,1,0]=4 1023 B5R0.3 CNC(=S)NC MCULE-7998520647 [1,0,1,0,0,0|0,0,1]=3 1024 B5R0.3 CNC(=S)NN MCULE-3762018607 [1,0,1,0,0,0|1,0,0]=3 1025 B5R0.3 COC(=S)NN MCULE-8717505617 [1,0,1,0,0,0|2,0,0]=4 1026 B5R0.3 CSC(=S)NN MCULE-2798461411 [1,0,1,0,0,0|2,0,0]=4 1027 B5R0.3 NNC(=S)NN MCULE-1599893212 [1,0,1,0,0,0|2,0,0]=4 1028 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [1,0,1,0,0,0|2,0,0]=4 1029 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,0,1,0,0,0|1,1,0]=4 1030 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [1,0,1,0,0,0|2,0,0]=4 1031 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [1,0,1,0,0,0|0,0,2]=4 1032 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [1,0,1,0,0,0|1,0,1]=4 1033 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [1,0,1,0,0,0|1,0,1]=4 1034 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [1,0,1,0,0,0|1,0,1]=4 1035 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [1,0,1,0,0,0|1,0,1]=4 1036 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [1,0,1,0,0,0|1,0,1]=4 1037 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,0,1,0,0,0|0,1,1]=4 1038 B5R0.5 CN(C)C(=S)Cl MCULE-5232126468 [1,0,1,0,0,0|1,0,1]=4 1039 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [1,0,1,0,0,0|0,0,1]=3 1040 B5R0.5 CN(C)C(=S)S MCULE-4296425055 [1,0,1,0,0,0|1,0,1]=4 1041 B5R0.5 CN(C)C(=S)S MCULE-5159570847 [1,0,1,0,0,0|1,0,1]=4 1042 B5R0.5 CN(C)C(=S)[S-] MCULE-6390941151 [1,0,1,0,0,0|1,0,1]=4 1043 B5R0.5 CN(C)C(=S)[S-] MCULE-7709633048 [1,0,1,0,0,0|1,0,1]=4 1044 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,0,1,0,0,0|1,1,0]=4 1045 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [1,0,1,0,0,0|1,0,0]=3 1046 B5R1.1 C1=CCC=C1 MCULE-1776679581 [2,0,0,0,0,0|2,0,0]=4 1047 B5R1.1 C1=CNC=C1 MCULE-7417495535 [2,0,0,0,0,0|1,0,0]=3 1048 B5R1.1 C1=CNC=N1 MCULE-1256901064 [2,0,0,0,0,0|0,0,1]=3 1049 B5R1.1 C1=CNC=N1 MCULE-1410806694 [2,0,0,0,0,0|0,0,1]=3 1050 B5R1.1 C1=CNC=N1 MCULE-5649243123 [2,0,0,0,0,0|0,0,1]=3 1051 B5R1.1 C1=CNC=N1 MCULE-6335507586 [2,0,0,0,0,0|0,0,1]=3 1052 B5R1.1 C1=CNN=C1 MCULE-9342475145 [2,0,0,0,0,0|2,0,0]=4 1053 B5R1.1 C1=CNN=N1 MCULE-9027372824 [2,0,0,0,0,0|1,0,1]=4 1054 B5R1.1 C1=COC=C1 MCULE-6076190179 [2,0,0,0,0,0|2,0,0]=4 1055 B5R1.1 C1=COC=N1 MCULE-4239266587 [2,0,0,0,0,0|1,0,1]=4 1056 B5R1.1 C1=CSC=C1 MCULE-5759025979 [2,0,0,0,0,0|2,0,0]=4 1057 B5R1.1 C1=CSC=N1 MCULE-2839580990 [2,0,0,0,0,0|1,0,1]=4 1058 B5R1.1 C1=C[N-]C=N1 MCULE-2590868668 [2,0,0,0,0,0|0,0,2]=4 1059 B5R1.1 C1=C[N-]C=N1 MCULE-7665637014 [2,0,0,0,0,0|0,0,2]=4 1060 B5R1.1 C1=C[Se]C=C1 MCULE-2438977476 [2,0,0,0,0,0|2,0,0]=4 1061 B5R1.1 C1=NC=NN1 MCULE-3522189420 [2,0,0,0,0,0|1,0,1]=4 1062 B7R0.2 CNC(=N)NC(=N)N MCULE-4251668857 [0,1,1,0,0,0|2,0,0]=4 1063 B7R0.2 CNC(=N)NC(=N)N MCULE-5148103019 [0,1,1,0,0,0|2,0,0]=4 1064 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,1,1,0,0,0|0,1,1]=4 1065 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,1,1,0,0,0|1,1,0]=4 1066 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [0,1,1,0,0,0|1,1,0]=4 1067 B7R0.3 C=CCCC(=S)OC MCULE-4709907145 [0,1,1,0,0,0|2,0,0]=4 1068 B7R0.3 C=CCNC(=S)NC MCULE-6740192122 [0,1,1,0,0,0|0,0,0]=2 1069 B7R0.3 C=CCNC(=S)NN MCULE-3262970479 [0,1,1,0,0,0|1,0,0]=3 1070 B7R0.3 CC=NNC(=S)NC MCULE-3608462649 [0,1,1,0,0,0|0,0,1]=3 1071 B7R0.5 CCNC(=S)N(C)N MCULE-5791702760 [0,1,1,0,0,0|0,0,2]=4 1072 B7R0.7 CCNC(=S)NCC MCULE-8237270311 [0,1,1,0,0,0|0,0,2]=4 1073 B7R0.7 OCNC(=S)NCO MCULE-4551702004 [0,1,1,0,0,0|1,0,1]=4 1074 B7R0.10 CCN(N)C(=S)NC MCULE-9798319933 [0,1,1,0,0,0|0,0,2]=4 1075 B7R0.10 CNC(=S)N(C)NC MCULE-3806759128 [0,1,1,0,0,0|1,0,1]=4 1076 B7R0.15 CCN(CC)C(=S)N MCULE-6855799912 [0,1,1,0,0,0|0,0,2]=4 1077 B7R0.16 CN(C)C(=S)N(C)C MCULE-9248140110 [0,1,1,0,0,0|0,0,2]=4 1078 B7R0.4 CCC=NNC(=S)N MCULE-6637349631 [0,1,1,0,0,0|2,0,0]=4 1079 B7R1.1 BrCC1=CNC=N1 MCULE-6187548628 [1,1,0,0,0,0|2,0,0]=4 1080 B7R1.1 BrCC1=CNC=N1 MCULE-8757048208 [1,1,0,0,0,0|2,0,0]=4 1081 B7R1.1 BrCC1=CNN=C1 MCULE-2115607467 [1,1,0,0,0,0|2,0,0]=4 1082 B7R1.1 BrCC1=CNN=C1 MCULE-2332884190 [1,1,0,0,0,0|2,0,0]=4 1083 B7R1.1 BrCC1=COC=C1 MCULE-3143969430 [1,1,0,0,0,0|2,0,0]=4 1084 B7R1.1 BrCC1=CSC=C1 MCULE-1765288837 [1,1,0,0,0,0|2,0,0]=4 1085 B7R1.1 BrCC1=NC=CN1 MCULE-3670310588 [1,1,0,0,0,0|1,0,1]=4 1086 B7R1.1 BrCC1=NC=CN1 MCULE-6876000932 [1,1,0,0,0,0|1,0,1]=4 1087 B7R1.1 BrCC1=NNC=C1 MCULE-6526927748 [1,1,0,0,0,0|2,0,0]=4 1088 B7R1.1 BrCC1=NNC=C1 MCULE-9410968974 [1,1,0,0,0,0|2,0,0]=4 1089 B7R1.1 BrCN1C=CC=N1 MCULE-4725249683 [1,1,0,0,0,0|2,0,0]=4 1090 B7R1.1 BrCN1C=CC=N1 MCULE-6011179701 [1,1,0,0,0,0|2,0,0]=4 1091 B7R1.1 C#CC1=CC=CN1 MCULE-9413657940 [1,1,0,0,0,0|2,0,0]=4 1092 B7R1.1 C#CC1=CNC=C1 MCULE-5099428162 [1,1,0,0,0,0|1,0,1]=4 1093 B7R1.1 C#CN1C=CC=C1 MCULE-3238559982 [1,1,0,0,0,0|1,0,1]=4 1094 B7R1.1 C=CC1=NC=CN1 MCULE-1557838075 [1,1,0,0,0,0|1,0,1]=4 1095 B7R1.1 C=CN1C=CN=C1 MCULE-4071130364 [1,1,0,0,0,0|0,0,2]=4 1096 B7R1.1 CCC1=CC=CN1 MCULE-9168935708 [1,1,0,0,0,0|2,0,0]=4 1097 B7R1.1 CCC1=CNC=C1 MCULE-7105940220 [1,1,0,0,0,0|1,0,0]=3 1098 B7R1.1 CCC1=CNC=N1 MCULE-8328486416 [1,1,0,0,0,0|2,0,0]=4 1099 B7R1.1 CCC1=CNN=C1 MCULE-1620759157 [1,1,0,0,0,0|2,0,0]=4 1100 B7R1.1 CCC1=CSC=C1 MCULE-7192433774 [1,1,0,0,0,0|2,0,0]=4 1101 B7R1.1 CCC1=NC=CN1 MCULE-8797415647 [1,1,0,0,0,0|1,0,1]=4 1102 B7R1.1 CCC1=NNC=C1 MCULE-4688737607 [1,1,0,0,0,0|2,0,0]=4 1103 B7R1.1 CCN1C=CC=C1 MCULE-7636090544 [1,1,0,0,0,0|1,0,0]=3 1104 B7R1.1 CCN1C=CC=N1 MCULE-3243448790 [1,1,0,0,0,0|2,0,0]=4 1105 B7R1.1 CCN1C=CN=C1 MCULE-1925854308 [1,1,0,0,0,0|0,0,1]=3 1106 B7R1.1 CCN1C=CN=N1 MCULE-6925302885 [1,1,0,0,0,0|1,0,1]=4 1107 B7R1.1 CCN1C=NC=N1 MCULE-3982535071 [1,1,0,0,0,0|1,0,1]=4 1108 B7R1.1 CNC1=CNN=C1 MCULE-5292411751 [1,1,0,0,0,0|2,0,0]=4 1109 B7R1.1 CNC1=CNN=C1 MCULE-9897229735 [1,1,0,0,0,0|2,0,0]=4 1110 B7R1.1 CNC1=CSC=C1 MCULE-1287628025 [1,1,0,0,0,0|2,0,0]=4 1111 B7R1.1 CNC1=CSC=C1 MCULE-5325332143 [1,1,0,0,0,0|2,0,0]=4 1112 B7R1.1 CNC1=NC=CN1 MCULE-2079992096 [1,1,0,0,0,0|1,0,1]=4 1113 B7R1.1 CNC1=NC=CN1 MCULE-4803913104 [1,1,0,0,0,0|1,0,1]=4 1114 B7R1.1 COC1=CNN=C1 MCULE-1531814981 [1,1,0,0,0,0|2,0,0]=4 1115 B7R1.1 COC1=CNN=C1 MCULE-4640774653 [1,1,0,0,0,0|2,0,0]=4 1116 B7R1.1 COC1=COC=C1 MCULE-7798852925 [1,1,0,0,0,0|2,0,0]=4 1117 B7R1.1 COC1=CSC=C1 MCULE-3476811638 [1,1,0,0,0,0|2,0,0]=4 1118 B7R1.1 COC1=NNC=C1 MCULE-5382090787 [1,1,0,0,0,0|2,0,0]=4 1119 B7R1.1 CSC1=CNC=N1 MCULE-3026662926 [1,1,0,0,0,0|2,0,0]=4 1120 B7R1.1 CSC1=CNN=C1 MCULE-8603325605 [1,1,0,0,0,0|2,0,0]=4 1121 B7R1.1 CSC1=CSC=C1 MCULE-2498616036 [1,1,0,0,0,0|2,0,0]=4 1122 B7R1.1 CSC1=NC=CN1 MCULE-8421202776 [1,1,0,0,0,0|0,0,2]=4 1123 B7R1.1 ClCC1=CNN=C1 MCULE-5220574680 [1,1,0,0,0,0|2,0,0]=4 1124 B7R1.1 ClCC1=CNN=C1 MCULE-7296587828 [1,1,0,0,0,0|2,0,0]=4 1125 B7R1.1 ClCC1=CSC=C1 MCULE-7066080407 [1,1,0,0,0,0|2,0,0]=4 1126 B7R1.1 ClCC1=NC=CN1 MCULE-7384129070 [1,1,0,0,0,0|1,0,1]=4 1127 B7R1.1 ClCC1=NC=CN1 MCULE-9116539716 [1,1,0,0,0,0|1,0,1]=4 1128 B7R1.1 ClCC1=NNC=C1 MCULE-1796939171 [1,1,0,0,0,0|2,0,0]=4 1129 B7R1.1 ClCC1=NNC=C1 MCULE-4973996041 [1,1,0,0,0,0|2,0,0]=4 1130 B7R1.1 ClCN1C=CC=N1 MCULE-1905851399 [1,1,0,0,0,0|2,0,0]=4 1131 B7R1.1 ClCN1C=CC=N1 MCULE-5068940089 [1,1,0,0,0,0|2,0,0]=4 1132 B7R1.1 ClCN1C=NC=N1 MCULE-4822959081 [1,1,0,0,0,0|1,0,1]=4 1133 B7R1.1 ClCN1C=NC=N1 MCULE-6448270020 [1,1,0,0,0,0|1,0,1]=4 1134 B7R1.1 N#CC1=CC=CN1 MCULE-6899253259 [1,1,0,0,0,0|2,0,0]=4 1135 B7R1.1 N#CC1=CNC=C1 MCULE-6927599825 [1,1,0,0,0,0|1,0,1]=4 1136 B7R1.1 N#CC1=NC=CN1 MCULE-4750193618 [1,1,0,0,0,0|1,0,1]=4 1137 B7R1.1 N#CC1=NC=CN1 MCULE-5061160655 [1,1,0,0,0,0|1,0,1]=4 1138 B7R1.1 N#CN1C=CN=C1 MCULE-9866697696 [1,1,0,0,0,0|0,0,2]=4 1139 B7R1.1 NCC1=CC=CN1 MCULE-3221298054 [1,1,0,0,0,0|2,0,0]=4 1140 B7R1.1 NCC1=CC=CN1 MCULE-5686156853 [1,1,0,0,0,0|2,0,0]=4 1141 B7R1.1 NCC1=CNC=C1 MCULE-1100801530 [1,1,0,0,0,0|1,0,0]=3 1142 B7R1.1 NCC1=CNC=C1 MCULE-8377955542 [1,1,0,0,0,0|1,0,0]=3 1143 B7R1.1 NCC1=CNC=N1 MCULE-8577687631 [1,1,0,0,0,0|2,0,0]=4 1144 B7R1.1 NCC1=CNN=C1 MCULE-3762894549 [1,1,0,0,0,0|2,0,0]=4 1145 B7R1.1 NCC1=CNN=C1 MCULE-5740077275 [1,1,0,0,0,0|2,0,0]=4 1146 B7R1.1 NCC1=CNN=C1 MCULE-8353465704 [1,1,0,0,0,0|2,0,0]=4 1147 B7R1.1 NCC1=CNN=C1 MCULE-9759765236 [1,1,0,0,0,0|2,0,0]=4 1148 B7R1.1 NCC1=COC=C1 MCULE-2572059213 [1,1,0,0,0,0|2,0,0]=4 1149 B7R1.1 NCC1=COC=C1 MCULE-3826062772 [1,1,0,0,0,0|2,0,0]=4 1150 B7R1.1 NCC1=CSC=C1 MCULE-1358443205 [1,1,0,0,0,0|2,0,0]=4 1151 B7R1.1 NCC1=CSC=C1 MCULE-7400311305 [1,1,0,0,0,0|2,0,0]=4 1152 B7R1.1 NCC1=NC=CN1 MCULE-3018295283 [1,1,0,0,0,0|1,0,1]=4 1153 B7R1.1 NCC1=NC=CN1 MCULE-3173272320 [1,1,0,0,0,0|1,0,1]=4 1154 B7R1.1 NCC1=NC=CN1 MCULE-7054323206 [1,1,0,0,0,0|1,0,1]=4 1155 B7R1.1 NNC1=NC=CN1 MCULE-1524554099 [1,1,0,0,0,0|1,0,1]=4 1156 B7R1.1 NNC1=NC=CN1 MCULE-4336482555 [1,1,0,0,0,0|1,0,1]=4 1157 B7R1.1 O=CC1=CC=CN1 MCULE-4586543663 [1,1,0,0,0,0|1,1,0]=4 1158 B7R1.1 O=CC1=CNC=C1 MCULE-2454944558 [1,1,0,0,0,0|1,0,1]=4 1159 B7R1.1 O=CC1=NC=CN1 MCULE-7353417190 [1,1,0,0,0,0|0,1,1]=4 1160 B7R1.1 O=CN1C=CN=C1 MCULE-5644582461 [1,1,0,0,0,0|0,0,2]=4 1161 B7R1.1 O=S=C1NC=CO1 MCULE-4980537256 [1,1,0,0,0,0|1,0,1]=4 1162 B7R1.1 OCC1=CC=CN1 MCULE-5325446270 [1,1,0,0,0,0|1,1,0]=4 1163 B7R1.1 OCC1=CNC=C1 MCULE-3286092527 [1,1,0,0,0,0|1,0,0]=3 1164 B7R1.1 OCC1=CNC=N1 MCULE-7372960664 [1,1,0,0,0,0|2,0,0]=4 1165 B7R1.1 OCC1=CNC=N1 MCULE-7985661576 [1,1,0,0,0,0|2,0,0]=4 1166 B7R1.1 OCC1=CNN=C1 MCULE-3322868006 [1,1,0,0,0,0|2,0,0]=4 1167 B7R1.1 OCC1=COC=C1 MCULE-1188853308 [1,1,0,0,0,0|2,0,0]=4 1168 B7R1.1 OCC1=CSC=C1 MCULE-5715575511 [1,1,0,0,0,0|2,0,0]=4 1169 B7R1.1 OCC1=NC=CN1 MCULE-2118723726 [1,1,0,0,0,0|0,1,1]=4 1170 B7R1.1 OCC1=NC=CN1 MCULE-8280197279 [1,1,0,0,0,0|0,1,1]=4 1171 B7R1.1 OCC1=NNC=C1 MCULE-7625791296 [1,1,0,0,0,0|2,0,0]=4 1172 B7R1.1 OCN1C=CC=N1 MCULE-9665267248 [1,1,0,0,0,0|2,0,0]=4 1173 B7R1.1 OCN1C=CN=C1 MCULE-2697787926 [1,1,0,0,0,0|0,0,1]=3 1174 B7R1.1 OCN1C=NC=N1 MCULE-4098360190 [1,1,0,0,0,0|1,0,1]=4 1175 B7R1.2 BrC1=CN=C(N1)I MCULE-2580134488 [1,1,0,0,0,0|1,0,1]=4 1176 B7R1.2 BrC1=CNC(=N1)Br MCULE-2971411868 [1,1,0,0,0,0|1,0,1]=4 1177 B7R1.2 C=C1CNC(=S)S1 MCULE-5840114105 [1,1,0,0,0,0|1,0,1]=4 1178 B7R1.2 CC1=CC(=NN1)C MCULE-4873265902 [1,1,0,0,0,0|2,0,0]=4 1179 B7R1.2 CC1=CC(=NN1)C MCULE-8100496522 [1,1,0,0,0,0|2,0,0]=4 1180 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [1,1,0,0,0,0|2,0,0]=4 1181 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [1,1,0,0,0,0|2,0,0]=4 1182 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [1,1,0,0,0,0|2,0,0]=4 1183 B7R1.2 CC1=CN(C=N1)C MCULE-2469544518 [1,1,0,0,0,0|0,0,1]=3 1184 B7R1.2 CC1=CN(N=C1)C MCULE-7303683364 [1,1,0,0,0,0|2,0,0]=4 1185 B7R1.2 CC1=CN(N=N1)C MCULE-6586051343 [1,1,0,0,0,0|1,0,1]=4 1186 B7R1.2 CC1=CN=C(N1)N MCULE-5849111364 [1,1,0,0,0,0|1,0,1]=4 1187 B7R1.2 CC1=CN=C(N1)N MCULE-9885122590 [1,1,0,0,0,0|1,0,1]=4 1188 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [1,1,0,0,0,0|1,0,0]=3 1189 B7R1.2 CC1=CNC(=N1)Br MCULE-2148866894 [1,1,0,0,0,0|1,0,1]=4 1190 B7R1.2 CC1=CNC(=N1)C MCULE-1883967566 [1,1,0,0,0,0|1,0,1]=4 1191 B7R1.2 CC1=CNC(=N1)I MCULE-7172464469 [1,1,0,0,0,0|1,0,1]=4 1192 B7R1.2 CC1=CNC(=N1)N MCULE-2945170552 [1,1,0,0,0,0|1,0,1]=4 1193 B7R1.2 CC1=CNC(=N1)S MCULE-1670645296 [1,1,0,0,0,0|0,0,2]=4 1194 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [1,1,0,0,0,0|0,1,0]=3 1195 B7R1.2 CC1=COC(=C1)C MCULE-9104872009 [1,1,0,0,0,0|2,0,0]=4 1196 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [1,1,0,0,0,0|2,0,0]=4 1197 B7R1.2 CC1=CSC(=C1)Br MCULE-1301546959 [1,1,0,0,0,0|2,0,0]=4 1198 B7R1.2 CC1=CSC(=C1)C MCULE-9938369670 [1,1,0,0,0,0|2,0,0]=4 1199 B7R1.2 CC1=CSC(=C1)Cl MCULE-8287471659 [1,1,0,0,0,0|2,0,0]=4 1200 B7R1.2 CC1=CSC(=C1)N MCULE-6517545234 [1,1,0,0,0,0|2,0,0]=4 1201 B7R1.2 CC1=CSC(=C1)N MCULE-8640058932 [1,1,0,0,0,0|2,0,0]=4 1202 B7R1.2 CC1=CSC(=C1)O MCULE-1324476521 [1,1,0,0,0,0|2,0,0]=4 1203 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [1,1,0,0,0,0|1,1,0]=4 1204 B7R1.2 CC1=NC(=CN1)Br MCULE-7128800979 [1,1,0,0,0,0|1,0,1]=4 1205 B7R1.2 CC1=NC(=CN1)I MCULE-3668066625 [1,1,0,0,0,0|1,0,1]=4 1206 B7R1.2 CC1=NN(C=C1)C MCULE-4991402354 [1,1,0,0,0,0|2,0,0]=4 1207 B7R1.2 CC1=NNC(=C1)Cl MCULE-9047691966 [1,1,0,0,0,0|2,0,0]=4 1208 B7R1.2 CC1=NNC(=C1)I MCULE-7626013113 [1,1,0,0,0,0|2,0,0]=4 1209 B7R1.2 CC1=NNC(=C1)N MCULE-5982415678 [1,1,0,0,0,0|2,0,0]=4 1210 B7R1.2 CC1=NNC(=C1)N MCULE-8265446300 [1,1,0,0,0,0|2,0,0]=4 1211 B7R1.2 CC1=NNC(=C1)N MCULE-8755398394 [1,1,0,0,0,0|2,0,0]=4 1212 B7R1.2 CC1=NNC(=C1)O MCULE-6802545425 [1,1,0,0,0,0|2,0,0]=4 1213 B7R1.2 CC1=NNC(=S)O1 MCULE-1357179698 [1,1,0,0,0,0|2,0,0]=4 1214 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [1,1,0,0,0,0|0,0,2]=4 1215 B7R1.2 CN1C=C(C=N1)Br MCULE-1777078366 [1,1,0,0,0,0|2,0,0]=4 1216 B7R1.2 CN1C=C(C=N1)Cl MCULE-7422425633 [1,1,0,0,0,0|2,0,0]=4 1217 B7R1.2 CN1C=C(C=N1)F MCULE-3479168229 [1,1,0,0,0,0|2,0,0]=4 1218 B7R1.2 CN1C=C(C=N1)I MCULE-9878259108 [1,1,0,0,0,0|2,0,0]=4 1219 B7R1.2 CN1C=C(C=N1)N MCULE-7517990417 [1,1,0,0,0,0|2,0,0]=4 1220 B7R1.2 CN1C=C(C=N1)N MCULE-7697659912 [1,1,0,0,0,0|2,0,0]=4 1221 B7R1.2 CN1C=C(C=N1)N MCULE-9265648600 [1,1,0,0,0,0|2,0,0]=4 1222 B7R1.2 CN1C=C(C=N1)O MCULE-5086680033 [1,1,0,0,0,0|2,0,0]=4 1223 B7R1.2 CN1C=C(C=N1)O MCULE-5814110625 [1,1,0,0,0,0|2,0,0]=4 1224 B7R1.2 CN1C=C(C=N1)S MCULE-4948890589 [1,1,0,0,0,0|2,0,0]=4 1225 B7R1.2 CN1C=C(N=N1)Br MCULE-4118912709 [1,1,0,0,0,0|1,0,1]=4 1226 B7R1.2 CN1C=C(N=N1)I MCULE-1597986309 [1,1,0,0,0,0|1,0,1]=4 1227 B7R1.2 CN1C=C(N=N1)N MCULE-1821401692 [1,1,0,0,0,0|1,0,1]=4 1228 B7R1.2 CN1C=C(N=N1)N MCULE-6350695471 [1,1,0,0,0,0|1,0,1]=4 1229 B7R1.2 CN1C=C(N=N1)S MCULE-9707503715 [1,1,0,0,0,0|1,0,1]=4 1230 B7R1.2 CN1C=C([O+]=N1)[O-] MCULE-5849128262 [1,1,0,0,0,0|2,0,0]=4 1231 B7R1.2 CN1C=CC(=C1)Br MCULE-2020278293 [1,1,0,0,0,0|1,0,0]=3 1232 B7R1.2 CN1C=CC(=C1)N MCULE-2805426691 [1,1,0,0,0,0|1,0,0]=3 1233 B7R1.2 CN1C=CC(=C1)N MCULE-3443863095 [1,1,0,0,0,0|1,0,0]=3 1234 B7R1.2 CN1C=CC(=C1)O MCULE-2504745844 [1,1,0,0,0,0|1,0,0]=3 1235 B7R1.2 CN1C=CC(=N1)Br MCULE-2140706128 [1,1,0,0,0,0|2,0,0]=4 1236 B7R1.2 CN1C=CC(=N1)Cl MCULE-7765518388 [1,1,0,0,0,0|2,0,0]=4 1237 B7R1.2 CN1C=CC(=N1)F MCULE-7853118859 [1,1,0,0,0,0|2,0,0]=4 1238 B7R1.2 CN1C=CC(=N1)I MCULE-4809829389 [1,1,0,0,0,0|2,0,0]=4 1239 B7R1.2 CN1C=CC(=N1)N MCULE-3298296740 [1,1,0,0,0,0|2,0,0]=4 1240 B7R1.2 CN1C=CC(=N1)N MCULE-8862989081 [1,1,0,0,0,0|2,0,0]=4 1241 B7R1.2 CN1C=CC(=N1)O MCULE-5118805950 [1,1,0,0,0,0|2,0,0]=4 1242 B7R1.2 CN1C=CC(=N1)S MCULE-9185539300 [1,1,0,0,0,0|2,0,0]=4 1243 B7R1.2 CN1C=C[N+](=C1)C MCULE-1968168294 [1,1,0,0,0,0|0,0,1]=3 1244 B7R1.2 CN1C=C[N+](=C1)C MCULE-2761334934 [1,1,0,0,0,0|0,0,1]=3 1245 B7R1.2 CN1C=C[N+](=C1)C MCULE-2821798506 [1,1,0,0,0,0|0,0,1]=3 1246 B7R1.2 CN1C=C[N+](=C1)C MCULE-3728272572 [1,1,0,0,0,0|0,0,1]=3 1247 B7R1.2 CN1C=C[N+](=C1)C MCULE-4777249746 [1,1,0,0,0,0|0,0,1]=3 1248 B7R1.2 CN1C=C[N+](=C1)C MCULE-8370562401 [1,1,0,0,0,0|0,0,1]=3 1249 B7R1.2 CN1C=NC(=C1)Br MCULE-5111604254 [1,1,0,0,0,0|0,0,1]=3 1250 B7R1.2 CN1C=NC(=C1)Br MCULE-5640857037 [1,1,0,0,0,0|0,0,1]=3 1251 B7R1.2 CN1C=NC(=C1)Cl MCULE-6428465261 [1,1,0,0,0,0|0,0,1]=3 1252 B7R1.2 CN1C=NC(=C1)I MCULE-4816775438 [1,1,0,0,0,0|0,0,1]=3 1253 B7R1.2 CN1C=NC(=C1)I MCULE-6780687059 [1,1,0,0,0,0|0,0,1]=3 1254 B7R1.2 CN1C=NC(=C1)N MCULE-6675652850 [1,1,0,0,0,0|0,0,1]=3 1255 B7R1.2 CN1C=NC(=C1)N MCULE-6776822943 [1,1,0,0,0,0|0,0,1]=3 1256 B7R1.2 CN1C=NC(=C1)N MCULE-7634413330 [1,1,0,0,0,0|0,0,1]=3 1257 B7R1.2 CN1C=NC(=N1)Br MCULE-6085600654 [1,1,0,0,0,0|1,0,1]=4 1258 B7R1.2 CN1C=NC(=N1)Cl MCULE-9654889391 [1,1,0,0,0,0|1,0,1]=4 1259 B7R1.2 CN1C=NC(=N1)I MCULE-2310930379 [1,1,0,0,0,0|1,0,1]=4 1260 B7R1.2 CN1C=NC(=N1)N MCULE-1050208144 [1,1,0,0,0,0|1,0,1]=4 1261 B7R1.2 CN1C=NC(=N1)N MCULE-1270255380 [1,1,0,0,0,0|1,0,1]=4 1262 B7R1.2 CN1C=NC(=N1)N MCULE-3890729099 [1,1,0,0,0,0|1,0,1]=4 1263 B7R1.2 CN1C=NC(=O)N1 MCULE-8089843600 [1,1,0,0,0,0|1,0,1]=4 1264 B7R1.2 CN1C=N[N+](=C1)C MCULE-4147847314 [1,1,0,0,0,0|1,0,1]=4 1265 B7R1.2 CN1C=N[N+](=C1)C MCULE-9216301169 [1,1,0,0,0,0|1,0,1]=4 1266 B7R1.2 C[N+]1=CN(C=N1)N MCULE-4826203109 [1,1,0,0,0,0|1,0,1]=4 1267 B7R1.2 C[N+]1=CN(C=N1)N MCULE-6321439579 [1,1,0,0,0,0|1,0,1]=4 1268 B7R1.2 IC1=CN=C(N1)I MCULE-6439751886 [1,1,0,0,0,0|1,0,1]=4 1269 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [1,1,0,0,0,0|1,1,0]=4 1270 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [1,1,0,0,0,0|1,1,0]=4 1271 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,1,0,0,0,0|0,1,1]=4 1272 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [1,1,0,0,0,0|0,0,1]=3 1273 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [1,1,0,0,0,0|1,0,1]=4 1274 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [1,1,0,0,0,0|1,0,1]=4 1275 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [1,1,0,0,0,0|1,1,0]=4 1276 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [1,1,0,0,0,0|2,0,0]=4 1277 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [1,1,0,0,0,0|1,1,0]=4 1278 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [1,1,0,0,0,0|0,1,1]=4 1279 B7R1.2 O=C1NN=C(N1)Br MCULE-1124720587 [1,1,0,0,0,0|1,1,0]=4 1280 B7R1.2 O=C1NN=C(N1)Cl MCULE-5593292847 [1,1,0,0,0,0|1,1,0]=4 1281 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [1,1,0,0,0,0|1,1,0]=4 1282 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [1,1,0,0,0,0|1,1,0]=4 1283 B7R1.2 S=C1CCC(=S)N1 MCULE-1793012495 [1,1,0,0,0,0|1,0,1]=4 1284 B7R1.2 [O-]C1=CSC(=S)N1 MCULE-7540492613 [1,1,0,0,0,0|1,0,0]=3 1285 B7R1.2 [O-][N+]1=CN(C=C1)O MCULE-2493301230 [1,1,0,0,0,0|1,0,1]=4 1286 B9R1.2 CCC1=CC(=O)NC=C1 MCULE-5087892769 [0,1,0,0,0,1|1,1,0]=4 1287 B9R1.2 CNC1=NC(=O)NC=C1 MCULE-3945208648 [0,1,0,0,0,1|1,1,0]=4 1288 B9R1.2 CSC1=NC(=O)NC=C1 MCULE-1363527504 [0,1,0,0,0,1|1,1,0]=4 1289 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-1956502849 [0,1,0,0,0,1|1,1,0]=4 1290 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-5081851358 [0,1,0,0,0,1|1,1,0]=4 1291 B9R1.2 O=C1C=C(C=CN1)CCl MCULE-8248663590 [0,1,0,0,0,1|1,1,0]=4 1292 B9R1.2 O=C1C=C(C=CN1)CO MCULE-2738457100 [0,1,0,0,0,1|1,1,0]=4 1293 B9R1.3 CC1=CC=CN(C1=S)C MCULE-1823317832 [0,1,0,0,0,1|2,0,0]=4 1294 B9R1.3 CN1C(=O)C=CNC1=S MCULE-1210464407 [0,1,0,0,0,1|2,0,0]=4 1295 B9R1.3 CN1C=CC=C(C1=O)Br MCULE-1516709849 [0,1,0,0,0,1|2,0,0]=4 1296 B9R1.3 CN1C=CC=C(C1=O)I MCULE-8607578723 [0,1,0,0,0,1|2,0,0]=4 1297 B9R1.3 CN1C=CC=C(C1=O)N MCULE-7766969130 [0,1,0,0,0,1|2,0,0]=4 1298 B9R1.3 CN1C=CC=C(C1=O)N MCULE-9742693821 [0,1,0,0,0,1|2,0,0]=4 1299 B9R1.3 CN1C=CC=C(C1=O)O MCULE-6933477572 [0,1,0,0,0,1|1,1,0]=4 1300 B9R1.3 CN1C=CC=C(C1=S)Br MCULE-6977858911 [0,1,0,0,0,1|2,0,0]=4 1301 B9R1.3 CN1C=CC=C(C1=S)Cl MCULE-4893429044 [0,1,0,0,0,1|2,0,0]=4 1302 B9R1.3 CN1C=CC=C(C1=S)O MCULE-2482929842 [0,1,0,0,0,1|1,1,0]=4 1303 B9R1.3 CN1C=CN=C(C1=O)Br MCULE-8220134372 [0,1,0,0,0,1|1,0,1]=4 1304 B9R1.3 CN1C=CN=C(C1=O)Cl MCULE-9035436714 [0,1,0,0,0,1|1,0,1]=4 1305 B9R1.3 CN1C=CN=C(C1=O)N MCULE-4685158572 [0,1,0,0,0,1|1,0,1]=4 1306 B9R1.3 CN1C=CNC(=O)C1=O MCULE-8825888617 [0,1,0,0,0,1|0,1,0]=3 1307 B9R1.34 CC1=CC(=NC(=O)N1)C MCULE-6623341819 [0,1,0,0,0,1|1,1,0]=4 1308 B9R1.34 CC1=CC(=O)NC(=C1)C MCULE-3175630656 [0,1,0,0,0,1|1,1,0]=4 1309 B9R1.34 CC1=CC(=O)NC(=C1)N MCULE-1738074769 [0,1,0,0,0,1|1,1,0]=4 1310 B9R1.34 CC1=CC(=O)NC(=S)N1 MCULE-5250952546 [0,1,0,0,0,1|1,0,0]=3 1311 B9R1.34 CC1=CC(=S)NC(=N1)C MCULE-2799073670 [0,1,0,0,0,1|2,0,0]=4 1312 B9R1.34 CC1CC(=O)NC(=S)N1 MCULE-3560554851 [0,1,0,0,0,1|1,0,1]=4 1313 B9R1.34 CN1CC(=O)NC(=O)C1 MCULE-9312522895 [0,1,0,0,0,1|0,1,1]=4 1314 B9R1.69 CC1=CC(=O)NC=C1Br MCULE-8891123753 [0,1,0,0,0,1|1,1,0]=4 1315 B9R1.69 CC1=CC(=S)N(C=C1)O MCULE-8899565687 [0,1,0,0,0,1|1,0,0]=3 1316 B9R1.69 CC1=CCC(=NN1C)C MCULE-4605206822 [0,1,0,0,0,1|2,0,0]=4 1317 B9R1.69 CC1=CN(C(=O)C=C1)C MCULE-1546546528 [0,1,0,0,0,1|2,0,0]=4 1318 B9R1.69 CC1=CNC(=O)C=C1C MCULE-7565124087 [0,1,0,0,0,1|1,1,0]=4 1319 B9R1.69 CC1=CNC(=S)NC1=O MCULE-7685911178 [0,1,0,0,0,1|2,0,0]=4 1320 B9R1.69 CC1=NN(C(=O)C=C1)C MCULE-6774020661 [0,1,0,0,0,1|2,0,0]=4 1321 B9R1.69 CN1C=C(C=CC1=O)Br MCULE-1988854688 [0,1,0,0,0,1|2,0,0]=4 1322 B9R1.69 CN1C=C(C=CC1=O)Cl MCULE-8552019856 [0,1,0,0,0,1|2,0,0]=4 1323 B9R1.69 CN1C=C(C=CC1=O)F MCULE-8044075655 [0,1,0,0,0,1|2,0,0]=4 1324 B9R1.69 CN1C=C(C=CC1=O)I MCULE-3859652678 [0,1,0,0,0,1|2,0,0]=4 1325 B9R1.69 CN1C=C(C=CC1=O)N MCULE-3185695492 [0,1,0,0,0,1|2,0,0]=4 1326 B9R1.69 CN1C=C(C=CC1=O)N MCULE-8506567791 [0,1,0,0,0,1|2,0,0]=4 1327 B9R1.69 CN1C=C(C=CC1=O)N MCULE-8565219040 [0,1,0,0,0,1|2,0,0]=4 1328 B9R1.69 CN1C=C(C=CC1=O)O MCULE-9715288226 [0,1,0,0,0,1|1,1,0]=4 1329 B9R1.69 CN1C=C(N=CC1=O)Br MCULE-3598260751 [0,1,0,0,0,1|1,0,1]=4 1330 B9R1.69 CN1C=C(N=CC1=O)Cl MCULE-8652455440 [0,1,0,0,0,1|1,0,1]=4 1331 B9R1.69 CN1C=CC(=O)C(=C1)Br MCULE-6750029888 [0,1,0,0,0,1|2,0,0]=4 1332 B9R1.69 CN1C=CC(=O)C(=C1)Cl MCULE-2460522217 [0,1,0,0,0,1|2,0,0]=4 1333 B9R1.69 CN1C=CC(=O)C(=C1)I MCULE-1366362993 [0,1,0,0,0,1|2,0,0]=4 1334 B9R1.69 CN1C=CC(=O)C(=C1)O MCULE-5287468436 [0,1,0,0,0,1|1,1,0]=4 1335 B9R1.69 CN1C=CC(=O)NC1=S MCULE-6286998648 [0,1,0,0,0,1|2,0,0]=4 1336 B9R1.69 CN1CC(=O)NCC1=O MCULE-2620095873 [0,1,0,0,0,1|0,1,1]=4 1337 B9R1.69 CN1N=C(C=CC1=O)Br MCULE-6164372071 [0,1,0,0,0,1|2,0,0]=4 1338 B9R1.69 CN1N=C(C=CC1=O)Cl MCULE-3920332223 [0,1,0,0,0,1|2,0,0]=4 1339 B9R1.69 CN1N=C(C=CC1=O)N MCULE-8055332798 [0,1,0,0,0,1|2,0,0]=4 1340 B9R1.69 CN1N=C(C=CC1=O)O MCULE-8163221889 [0,1,0,0,0,1|1,1,0]=4 1341 B9R1.69 O=C1NC(=S)NC=C1F MCULE-1640996146 [0,1,0,0,0,1|2,0,0]=4 1342 B9R1.69 O=C1NC(=S)NC=C1I MCULE-9040932930 [0,1,0,0,0,1|2,0,0]=4 1343 B9R1.15 CCC1=CC=NNC1=O MCULE-6873222136 [0,1,0,0,0,1|1,1,0]=4 1344 B9R1.15 CCC1=NC=CNC1=O MCULE-1515870807 [0,1,0,0,0,1|1,1,0]=4 1345 B9R1.15 CN1C=CC=CC1=NN MCULE-6595264418 [0,1,0,0,0,1|2,0,0]=4 1346 B9R1.15 CN=C1C=CC=CN1C MCULE-4339305501 [0,1,0,0,0,1|2,0,0]=4 1347 B9R1.15 COC1=CC=CNC1=O MCULE-1104931579 [0,1,0,0,0,1|1,1,0]=4 1348 B9R1.15 COC1=CC=CNC1=O MCULE-3466893667 [0,1,0,0,0,1|1,1,0]=4 1349 B9R1.15 COC1=CC=NNC1=O MCULE-9861780416 [0,1,0,0,0,1|1,1,0]=4 1350 B9R1.15 NCC1=CC=CNC1=O MCULE-6248076104 [0,1,0,0,0,1|1,1,0]=4 1351 B9R1.15 NCC1=CC=NNC1=O MCULE-6428527966 [0,1,0,0,0,1|1,1,0]=4 1352 B9R1.15 O=C1NC=CC=C1CO MCULE-9196302433 [0,1,0,0,0,1|1,1,0]=4 1353 B9R1.15 O=CC1=CC=CNC1=S MCULE-4071843461 [0,1,0,0,0,1|1,0,1]=4 1354 B9R1.14 C#CC1=NC=CN1CC MCULE-3162703226 [0,2,0,0,0,0|1,0,1]=4 1355 B9R1.14 CCN1C=CC=C1C#N MCULE-1369523917 [0,2,0,0,0,0|2,0,0]=4 1356 B9R1.14 CCN1C=CC=C1C=O MCULE-8123073528 [0,2,0,0,0,0|1,1,0]=4 1357 B9R1.14 CCN1C=CC=C1CS MCULE-8369116586 [0,2,0,0,0,0|1,0,1]=4 1358 B9R1.14 CCN1C=CN=C1C#N MCULE-4640420891 [0,2,0,0,0,0|1,0,1]=4 1359 B9R1.14 CCN1C=CN=C1C=O MCULE-8093493884 [0,2,0,0,0,0|0,1,1]=4 1360 B9R1.14 CCN1C=CN=C1CBr MCULE-5100853540 [0,2,0,0,0,0|1,0,1]=4 1361 B9R1.14 CCN1C=CN=C1CBr MCULE-7009878854 [0,2,0,0,0,0|1,0,1]=4 1362 B9R1.14 CCN1C=CN=C1CCl MCULE-1750997857 [0,2,0,0,0,0|1,0,1]=4 1363 B9R1.14 CCN1C=CN=C1CCl MCULE-5386067677 [0,2,0,0,0,0|1,0,1]=4 1364 B9R1.14 CCN1C=CN=C1CN MCULE-1184575082 [0,2,0,0,0,0|1,0,1]=4 1365 B9R1.14 CCN1C=CN=C1CN MCULE-7396928993 [0,2,0,0,0,0|1,0,1]=4 1366 B9R1.14 CCN1C=CN=C1CO MCULE-3695393720 [0,2,0,0,0,0|0,1,1]=4 1367 B9R1.14 CCN1C=CN=C1NN MCULE-5447323365 [0,2,0,0,0,0|1,0,1]=4 1368 B9R1.14 CCN1C=CN=C1NN MCULE-5487958699 [0,2,0,0,0,0|1,0,1]=4 1369 B9R1.22 CC1=CC(=C(N1)C)CN MCULE-3338941162 [0,2,0,0,0,0|2,0,0]=4 1370 B9R1.22 CC1=CC(=C(N1)C=O)C MCULE-3691169080 [0,2,0,0,0,0|1,1,0]=4 1371 B9R1.22 CC1=CN(C(=N1)C=O)C MCULE-8342709111 [0,2,0,0,0,0|0,1,1]=4 1372 B9R1.22 CC1=CN(C(=N1)CO)C MCULE-4378916343 [0,2,0,0,0,0|0,1,1]=4 1373 B9R1.22 CC1=CN(C(=N1)NN)C MCULE-3091174590 [0,2,0,0,0,0|1,0,1]=4 1374 B9R1.22 CC1=CN(C(=N1)NN)C MCULE-8230646299 [0,2,0,0,0,0|1,0,1]=4 1375 B9R1.22 CCN1C=C(C=C1N)C MCULE-9902484503 [0,2,0,0,0,0|2,0,0]=4 1376 B9R1.22 CCN1CC(=O)NC1=O MCULE-1851701594 [0,2,0,0,0,0|0,1,1]=4 1377 B9R1.22 CCN1N=C(NC1=O)Br MCULE-5545771475 [0,2,0,0,0,0|1,1,0]=4 1378 B9R1.22 CN1C=C(C=C1C#N)Br MCULE-4200098374 [0,2,0,0,0,0|2,0,0]=4 1379 B9R1.22 CN1C=C(C=C1C=O)Br MCULE-2725462214 [0,2,0,0,0,0|1,1,0]=4 1380 B9R1.22 CN1C=C(N=C1C#N)Br MCULE-8656262771 [0,2,0,0,0,0|1,0,1]=4 1381 B9R1.22 CN1C=C(N=C1C=O)Br MCULE-7050878592 [0,2,0,0,0,0|0,1,1]=4 1382 B9R1.22 CN1C=C(N=C1CO)Br MCULE-6121861445 [0,2,0,0,0,0|0,1,1]=4 1383 B9R1.27 CC1=C(N(C=C1)N)C#N MCULE-1286849916 [0,2,0,0,0,0|2,0,0]=4 1384 B9R1.27 CCC1=C(NC=C1C)C MCULE-3491644631 [0,2,0,0,0,0|2,0,0]=4 1385 B9R1.27 CCN1C(=CN=C1C)Cl MCULE-1384120340 [0,2,0,0,0,0|1,0,1]=4 1386 B9R1.27 CCN1C(=O)C=CC1=O MCULE-9216989340 [0,2,0,0,0,0|1,1,0]=4 1387 B9R1.27 CCN1C(=O)CNC1=O MCULE-7012305681 [0,2,0,0,0,0|0,1,1]=4 1388 B9R1.27 CCN1C(=O)CNC1=S MCULE-4101647203 [0,2,0,0,0,0|0,0,1]=3 1389 B9R1.27 CCN1C(=O)COC1=S MCULE-8441116729 [0,2,0,0,0,0|1,0,1]=4 1390 B9R1.27 CCN1C(=O)CSC1=S MCULE-7069138767 [0,2,0,0,0,0|1,0,1]=4 1391 B9R1.27 CCN1C(=O)NN=C1C MCULE-1457027919 [0,2,0,0,0,0|1,1,0]=4 1392 B9R1.27 CCN1C(=S)NN=C1C MCULE-9120886653 [0,2,0,0,0,0|1,0,0]=3 1393 B9R1.27 CN1C=CC(=C1C#N)Br MCULE-5594015295 [0,2,0,0,0,0|2,0,0]=4 1394 B9R1.27 O=C1C=CC(=O)N1CO MCULE-9063303630 [0,2,0,0,0,0|1,1,0]=4 1395 B9R1.33 C#CCN1C=CN=C1C MCULE-2220064613 [0,2,0,0,0,0|1,0,1]=4 1396 B9R1.33 C#CCN1C=CN=C1C MCULE-7072733112 [0,2,0,0,0,0|1,0,1]=4 1397 B9R1.33 C=CCN1C=CC=C1C MCULE-4161467112 [0,2,0,0,0,0|2,0,0]=4 1398 B9R1.33 C=CCN1C=CN=C1C MCULE-8371640080 [0,2,0,0,0,0|1,0,1]=4 1399 B9R1.33 C=CCN1C=NNC1=S MCULE-2828462384 [0,2,0,0,0,0|1,0,0]=3 1400 B9R1.33 C=CCN1N=NNC1=S MCULE-8085357740 [0,2,0,0,0,0|2,0,0]=4 1401 B9R1.33 CC1=CC=CN1CCN MCULE-7628909389 [0,2,0,0,0,0|2,0,0]=4 1402 B9R1.33 CC1=CC=CN1CCO MCULE-6284632361 [0,2,0,0,0,0|2,0,0]=4 1403 B9R1.33 CC1=NC=CN1CC#N MCULE-5415851842 [0,2,0,0,0,0|1,0,1]=4 1404 B9R1.33 CC1=NC=CN1CCBr MCULE-4911424629 [0,2,0,0,0,0|1,0,1]=4 1405 B9R1.33 CC1=NC=CN1CCBr MCULE-8673256719 [0,2,0,0,0,0|1,0,1]=4 1406 B9R1.33 CC1=NC=CN1CCCl MCULE-4246607321 [0,2,0,0,0,0|1,0,1]=4 1407 B9R1.33 CC1=NC=CN1CCCl MCULE-8933796045 [0,2,0,0,0,0|1,0,1]=4 1408 B9R1.33 CC1=NC=CN1CCN MCULE-2891289087 [0,2,0,0,0,0|1,0,1]=4 1409 B9R1.33 CC1=NC=CN1CCN MCULE-5202960364 [0,2,0,0,0,0|1,0,1]=4 1410 B9R1.33 CC1=NC=CN1CCN MCULE-8096996078 [0,2,0,0,0,0|1,0,1]=4 1411 B9R1.33 CC1=NC=CN1CCN MCULE-8783565509 [0,2,0,0,0,0|1,0,1]=4 1412 B9R1.33 CC1=NC=CN1CCO MCULE-6577538423 [0,2,0,0,0,0|1,0,1]=4 1413 B9R1.33 CC1=NC=CN1CCO MCULE-7727197092 [0,2,0,0,0,0|1,0,1]=4 1414 B9R1.33 CCCN1C=CN=C1S MCULE-1362253657 [0,2,0,0,0,0|0,0,2]=4 1415 B9R1.33 CCCN1CCNC1=S MCULE-9744608074 [0,2,0,0,0,0|0,0,2]=4 1416 B9R1.33 CCCN1N=NNC1=S MCULE-5623055244 [0,2,0,0,0,0|2,0,0]=4 1417 B9R1.33 CN1C=CC=C1/C=N/O MCULE-6521349080 [0,2,0,0,0,0|1,1,0]=4 1418 B9R1.33 CN1C=CC=C1C=NO MCULE-3072799043 [0,2,0,0,0,0|1,1,0]=4 1419 B9R1.33 CN1C=CC=C1CC#N MCULE-3453794381 [0,2,0,0,0,0|2,0,0]=4 1420 B9R1.33 CN1C=CC=C1CCN MCULE-2377635902 [0,2,0,0,0,0|2,0,0]=4 1421 B9R1.33 CN1C=CC=C1CCO MCULE-3054175221 [0,2,0,0,0,0|1,1,0]=4 1422 B9R1.33 CN1C=CN=C1C=NO MCULE-9015201802 [0,2,0,0,0,0|0,1,1]=4 1423 B9R1.33 CN1C=CN=C1CC#N MCULE-2479658650 [0,2,0,0,0,0|1,0,1]=4 1424 B9R1.33 CN1C=CN=C1CC#N MCULE-7777198877 [0,2,0,0,0,0|1,0,1]=4 1425 B9R1.33 CN1C=CN=C1CCBr MCULE-3605335687 [0,2,0,0,0,0|1,0,1]=4 1426 B9R1.33 CN1C=CN=C1CCBr MCULE-5039192768 [0,2,0,0,0,0|1,0,1]=4 1427 B9R1.33 CN1C=CN=C1CCCl MCULE-5358544366 [0,2,0,0,0,0|1,0,1]=4 1428 B9R1.33 CN1C=CN=C1CCCl MCULE-7984003821 [0,2,0,0,0,0|1,0,1]=4 1429 B9R1.33 CN1C=CN=C1CCN MCULE-5166710397 [0,2,0,0,0,0|1,0,1]=4 1430 B9R1.33 CN1C=CN=C1CCN MCULE-7052299297 [0,2,0,0,0,0|1,0,1]=4 1431 B9R1.33 CN1C=CN=C1CCO MCULE-8771272000 [0,2,0,0,0,0|0,1,1]=4 1432 B9R1.33 CN1C=CN=C1CNN MCULE-1688235606 [0,2,0,0,0,0|1,0,1]=4 1433 B9R1.33 CN1C=CN=C1CNN MCULE-2038408623 [0,2,0,0,0,0|1,0,1]=4 1434 B9R1.33 CNCC1=CC=CN1C MCULE-9781046168 [0,2,0,0,0,0|2,0,0]=4 1435 B9R1.33 CNCC1=NC=CN1C MCULE-7523735494 [0,2,0,0,0,0|1,0,1]=4 1436 B9R1.33 CNCC1=NC=CN1C MCULE-9740451041 [0,2,0,0,0,0|1,0,1]=4 1437 B9R1.33 N(C)CC1=CC=CN1C MCULE-6962332906 [0,2,0,0,0,0|2,0,0]=4 1438 B9R1.33 NCCN1CCNC1=S MCULE-4291937253 [0,2,0,0,0,0|0,0,2]=4 1439 B9R1.33 O=C1NC=CN1CCCl MCULE-5294942602 [0,2,0,0,0,0|0,1,0]=3 1440 B9R1.33 OCCN1CCNC1=S MCULE-1279321585 [0,2,0,0,0,0|0,0,2]=4 1441 B9R1.41 CC(=O)C1=C(NC=C1)C MCULE-8216611591 [0,2,0,0,0,0|2,0,0]=4 1442 B9R1.41 CC(=O)C1=CC=CN1C MCULE-2872976165 [0,2,0,0,0,0|1,1,0]=4 1443 B9R1.41 CC(=O)C1=NC=CN1C MCULE-6256455572 [0,2,0,0,0,0|0,1,1]=4 1444 B9R1.41 CC(=O)N1C=CC=C1Br MCULE-4023339296 [0,2,0,0,0,0|2,0,0]=4 1445 B9R1.41 CC(=O)N1C=COC1=O MCULE-6512538062 [0,2,0,0,0,0|1,1,0]=4 1446 B9R1.41 CC(=O)N1CCNC1=S MCULE-6634615380 [0,2,0,0,0,0|0,0,2]=4 1447 B9R1.41 CC(C)C1=NC=CN1C MCULE-2952273123 [0,2,0,0,0,0|1,0,1]=4 1448 B9R1.41 CC(C)N1C=CN=C1Br MCULE-2990951735 [0,2,0,0,0,0|1,0,1]=4 1449 B9R1.41 CC(C)N1C=CN=C1Br MCULE-9153521206 [0,2,0,0,0,0|1,0,1]=4 1450 B9R1.41 CC(C)N1C=CN=C1Cl MCULE-2604260262 [0,2,0,0,0,0|1,0,1]=4 1451 B9R1.41 CC(C)N1C=CN=C1N MCULE-3057056200 [0,2,0,0,0,0|1,0,1]=4 1452 B9R1.41 CC(C)N1C=CN=C1S MCULE-9896649670 [0,2,0,0,0,0|0,0,2]=4 1453 B9R1.41 CC(C)N1CCNC1=S MCULE-1176908936 [0,2,0,0,0,0|0,0,2]=4 1454 B9R1.41 CC(C)N1N=NNC1=S MCULE-5566601539 [0,2,0,0,0,0|2,0,0]=4 1455 B9R1.41 CC(N)C1=NC=CN1C MCULE-8164528403 [0,2,0,0,0,0|1,0,1]=4 1456 B9R1.41 CC(N)C1=NC=CN1C MCULE-8640031223 [0,2,0,0,0,0|1,0,1]=4 1457 B9R1.41 CC(O)C1=NC=CN1C MCULE-7860193016 [0,2,0,0,0,0|0,1,1]=4 1458 B9R1.41 CC1=C(NC=C1)C(=O)O MCULE-5829407864 [0,2,0,0,0,0|1,1,0]=4 1459 B9R1.41 CC1=C(SC=C1)C(=S)N MCULE-3573049135 [0,2,0,0,0,0|2,0,0]=4 1460 B9R1.41 CC1=NC=CN1C(C)C MCULE-9864606354 [0,2,0,0,0,0|1,0,1]=4 1461 B9R1.41 CN1C=CC=C1C(=O)Cl MCULE-9923294155 [0,2,0,0,0,0|1,1,0]=4 1462 B9R1.41 CN1C=CC=C1C(=O)N MCULE-9600769007 [0,2,0,0,0,0|1,1,0]=4 1463 B9R1.41 CN1C=CC=C1C(=O)O MCULE-8318842554 [0,2,0,0,0,0|1,1,0]=4 1464 B9R1.41 CN1C=CC=C1N(=O)=O MCULE-6295371466 [0,2,0,0,0,0|1,1,0]=4 1465 B9R1.41 CN1C=CN=C1C(=N)N MCULE-7228706658 [0,2,0,0,0,0|1,0,1]=4 1466 B9R1.41 CN1C=CN=C1C(=N)N MCULE-8413356794 [0,2,0,0,0,0|1,0,1]=4 1467 B9R1.41 CN1C=CN=C1C(=O)N MCULE-7685079836 [0,2,0,0,0,0|0,1,1]=4 1468 B9R1.41 CN1C=CN=C1C(=O)O MCULE-4526628775 [0,2,0,0,0,0|0,1,1]=4 1469 B9R1.41 CN1C=CN=C1C(=O)[O-] MCULE-4921125287 [0,2,0,0,0,0|0,1,1]=4 1470 B9R1.41 CN1C=CN=C1C(=S)N MCULE-3333795728 [0,2,0,0,0,0|0,0,1]=3 1471 B9R1.41 CN1C=CN=C1N(=O)=O MCULE-9100999348 [0,2,0,0,0,0|0,1,1]=4 1472 B9R1.41 CN1N=CC=C1C(=S)N MCULE-4377113227 [0,2,0,0,0,0|2,0,0]=4 1473 B9R1.41 C[C@@H](N)C1=CC=CN1C MCULE-5678951227 [0,2,0,0,0,0|2,0,0]=4 1474 B9R1.41 C[C@@H](N)C1=CC=CN1C MCULE-7405067099 [0,2,0,0,0,0|2,0,0]=4 1475 B9R1.41 C[C@@H](N)C1=NC=CN1C MCULE-9494352475 [0,2,0,0,0,0|1,0,1]=4 1476 B9R1.41 C[C@H](N)C1=CC=CN1C MCULE-1315780329 [0,2,0,0,0,0|2,0,0]=4 1477 B9R1.41 C[C@H](N)C1=CC=CN1C MCULE-5516857990 [0,2,0,0,0,0|2,0,0]=4 1478 B9R1.41 C[C@H](N)C1=NC=CN1C MCULE-6498388718 [0,2,0,0,0,0|1,0,1]=4 1479 B9R1.41 NC1=NC=CN1C(F)F MCULE-3718418849 [0,2,0,0,0,0|1,0,1]=4 1480 B9R1.132 C#CC1=C(N(C=C1)C)N MCULE-2719445912 [0,2,0,0,0,0|2,0,0]=4 1481 B9R1.132 C#CC1=CN=C(N1C)C MCULE-5173147390 [0,2,0,0,0,0|1,0,1]=4 1482 B9R1.132 C=CN1C=CC(=C1C)C MCULE-3441927426 [0,2,0,0,0,0|2,0,0]=4 1483 B9R1.132 CC1=CC=C(N1C)C#N MCULE-4848841290 [0,2,0,0,0,0|2,0,0]=4 1484 B9R1.132 CC1=CC=C(N1C)C=O MCULE-6660852220 [0,2,0,0,0,0|1,1,0]=4 1485 B9R1.132 CC1=CC=C(N1C)CN MCULE-6062893114 [0,2,0,0,0,0|2,0,0]=4 1486 B9R1.132 CC1=CN=C(N1C)C=O MCULE-8491335694 [0,2,0,0,0,0|0,1,1]=4 1487 B9R1.132 CC1=CN=C(N1C)CO MCULE-4679557904 [0,2,0,0,0,0|0,1,1]=4 1488 B9R1.132 CC1=CN=C(N1C)NN MCULE-2399407396 [0,2,0,0,0,0|1,0,1]=4 1489 B9R1.132 CC1=CN=C(N1C)NN MCULE-3489275845 [0,2,0,0,0,0|1,0,1]=4 1490 B9R1.132 CC1=CNC(=C1C)C#N MCULE-9659623510 [0,2,0,0,0,0|2,0,0]=4 1491 B9R1.132 CC1=CNC(=C1C)C=O MCULE-7307591897 [0,2,0,0,0,0|1,1,0]=4 1492 B9R1.132 CC1=NC=C(N1C)C#N MCULE-7348319292 [0,2,0,0,0,0|1,0,1]=4 1493 B9R1.132 CC1=NC=C(N1C)C=O MCULE-5171530868 [0,2,0,0,0,0|1,0,1]=4 1494 B9R1.132 CC1=NC=C(N1C)CN MCULE-8251450328 [0,2,0,0,0,0|1,0,1]=4 1495 B9R1.132 CC1=NC=C(N1C)CN MCULE-9453133301 [0,2,0,0,0,0|1,0,1]=4 1496 B9R1.132 CC1=NC=C(N1C)CO MCULE-1121831313 [0,2,0,0,0,0|1,0,1]=4 1497 B9R1.132 CCN1C=CN(C1C)C MCULE-2043852008 [0,2,0,0,0,0|1,0,1]=4 1498 B9R1.132 CCN1C=C[N+](=C1C)C MCULE-1096172775 [0,2,0,0,0,0|1,0,1]=4 1499 B9R1.132 CCN1C=C[N+](=C1C)C MCULE-4747702215 [0,2,0,0,0,0|1,0,1]=4 1500 B9R1.132 CCN1C=C[N+](=C1C)C MCULE-5028526706 [0,2,0,0,0,0|1,0,1]=4 1501 B9R1.132 CCN1C=C[N+](=C1C)C MCULE-7278163693 [0,2,0,0,0,0|1,0,1]=4 1502 B9R1.132 CCN1N=CN(C1=O)N MCULE-4659849847 [0,2,0,0,0,0|1,1,0]=4 1503 B9R1.132 CC[N+]1=C(N(C=C1)C)C MCULE-2074915189 [0,2,0,0,0,0|1,0,1]=4 1504 B9R1.132 CC[N+]1=C(N(C=C1)C)C MCULE-3626395039 [0,2,0,0,0,0|1,0,1]=4 1505 B9R1.132 CN1C(=CC=C1C=O)Br MCULE-8695304717 [0,2,0,0,0,0|1,1,0]=4 1506 B9R1.132 CN1C(=CN=C1Br)C=O MCULE-3599606638 [0,2,0,0,0,0|1,0,1]=4 1507 B9R1.132 CN1C(=CN=C1Br)CO MCULE-9993976307 [0,2,0,0,0,0|1,0,1]=4 1508 B9R1.132 CN1C(=CN=C1C=O)Br MCULE-9405059564 [0,2,0,0,0,0|0,1,1]=4 1509 B9R1.132 CN1C(=CN=C1C=O)Cl MCULE-6125790714 [0,2,0,0,0,0|0,1,1]=4 1510 B9R1.132 CN1C(=CN=C1CCl)Cl MCULE-1234936520 [0,2,0,0,0,0|1,0,1]=4 1511 B9R1.132 CN1C(=CN=C1CCl)Cl MCULE-4182087346 [0,2,0,0,0,0|1,0,1]=4 1512 B9R1.132 CN1C(=CN=C1CN)Cl MCULE-1606429654 [0,2,0,0,0,0|1,0,1]=4 1513 B9R1.132 CN1C(=CN=C1CN)Cl MCULE-4925797455 [0,2,0,0,0,0|1,0,1]=4 1514 B9R1.132 CN1C(=CN=C1CO)Br MCULE-4287420695 [0,2,0,0,0,0|0,1,1]=4 1515 B9R1.132 CN1C(=CN=C1CO)Cl MCULE-2587686589 [0,2,0,0,0,0|0,1,1]=4 1516 B9R1.132 CN1C(=CN=C1CO)Cl MCULE-3401390374 [0,2,0,0,0,0|0,1,1]=4 1517 B9R1.132 CN1C(=CN=C1Cl)C=O MCULE-7321695667 [0,2,0,0,0,0|1,0,1]=4 1518 B9R1.132 CN1C(=CN=C1Cl)CCl MCULE-7913629101 [0,2,0,0,0,0|1,0,1]=4 1519 B9R1.132 CN1C(=CN=C1Cl)CO MCULE-6051783841 [0,2,0,0,0,0|1,0,1]=4 1520 B9R1.132 CN1C(=CN=C1N)CO MCULE-7979356793 [0,2,0,0,0,0|1,0,1]=4 1521 B9R1.132 CN1C(=O)NN=C1CCl MCULE-2261725901 [0,2,0,0,0,0|1,1,0]=4 1522 B9R1.132 CN1C(=O)NN=C1CN MCULE-2316463788 [0,2,0,0,0,0|1,1,0]=4 1523 B9R1.132 CN1C(=O)NN=C1CN MCULE-5148453150 [0,2,0,0,0,0|1,1,0]=4 1524 B9R1.132 CN1C(=O)NN=C1CO MCULE-8778487577 [0,2,0,0,0,0|1,1,0]=4 1525 B9R1.132 CN1C(=S)NC=C1CO MCULE-1386822124 [0,2,0,0,0,0|0,0,0]=2 1526 B9R1.132 COC1=NNC(=O)N1C MCULE-4138247121 [0,2,0,0,0,0|1,1,0]=4 1527 B9R1.23 CC1=C(NC(=C1)C=O)C MCULE-6603102591 [0,2,0,0,0,0|2,0,0]=4 1528 B9R1.23 CC1=C/C(=N\O)/NC1=O MCULE-4857085921 [0,2,0,0,0,0|1,1,0]=4 1529 B9R1.23 CC1=NC(=CN1C)C=O MCULE-8538075507 [0,2,0,0,0,0|1,0,1]=4 1530 B9R1.23 CC1=NC(=CN1C)CO MCULE-8390384215 [0,2,0,0,0,0|1,0,1]=4 1531 B9R1.23 CCC1=CN(C(=N1)N)C MCULE-5977212062 [0,2,0,0,0,0|1,0,1]=4 1532 B9R1.23 CN1C=C(C=C1N)C#N MCULE-4837298960 [0,2,0,0,0,0|2,0,0]=4 1533 B9R1.23 CN1C=C(SC1=O)C=O MCULE-1230936883 [0,2,0,0,0,0|1,1,0]=4 1534 B9R1.23 CN1C=C(SC1=O)CO MCULE-5865881855 [0,2,0,0,0,0|1,1,0]=4 1535 B9R1.23 CN1N=C(NC1=O)CCl MCULE-4036377310 [0,2,0,0,0,0|1,1,0]=4 1536 B9R1.37 CC1=C(C(=C(N1)C)C)C MCULE-1579097662 [0,2,0,0,0,0|2,0,0]=4 1537 B9R1.37 CC1=C(N(C(=N1)Br)C)Br MCULE-5065868368 [0,2,0,0,0,0|1,0,1]=4 1538 B9R1.37 CC1=C(N(C(=N1)Br)C)C MCULE-9119236342 [0,2,0,0,0,0|1,0,1]=4 1539 B9R1.37 CC1=C(N(C(=N1)S)C)C MCULE-7589444893 [0,2,0,0,0,0|0,0,2]=4 1540 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-4200291906 [0,2,0,0,0,0|0,1,0]=3 1541 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-6554777788 [0,2,0,0,0,0|0,1,0]=3 1542 B9R1.37 CC1=C(N(C(=S)S1)C)C MCULE-1455325681 [0,2,0,0,0,0|1,0,0]=3 1543 B9R1.37 CC1=C(N=C(N1C)Br)Br MCULE-4257360290 [0,2,0,0,0,0|1,0,1]=4 1544 B9R1.37 CC1=C(N=C(N1C)I)I MCULE-3908809932 [0,2,0,0,0,0|1,0,1]=4 1545 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-1955900673 [0,2,0,0,0,0|1,1,0]=4 1546 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-3848588925 [0,2,0,0,0,0|1,1,0]=4 1547 B9R1.37 CC1=NC(=C(N1C)Br)Br MCULE-8910435579 [0,2,0,0,0,0|1,0,1]=4 1548 B9R1.37 CC1=NC(=C(N1C)C)Br MCULE-8849274769 [0,2,0,0,0,0|1,0,1]=4 1549 B9R1.37 CC1=NC(=C(N1C)C)C MCULE-1568846384 [0,2,0,0,0,0|1,0,1]=4 1550 B9R1.37 CC1=NC(=C(N1C)Cl)Cl MCULE-9006198340 [0,2,0,0,0,0|1,0,1]=4 1551 B9R1.37 CC1=NC(=C(N1C)I)I MCULE-2843532378 [0,2,0,0,0,0|1,0,1]=4 1552 B9R1.37 CC1=NN(C(=S)N1C)C MCULE-3249373070 [0,2,0,0,0,0|1,0,0]=3 1553 B9R1.37 CC1C(=O)NC(=O)N1C MCULE-8491807319 [0,2,0,0,0,0|0,1,1]=4 1554 B9R1.37 CC1NC(=O)N(C1=O)C MCULE-9574379568 [0,2,0,0,0,0|0,1,1]=4 1555 B9R1.37 CN1C(=NC(=C1Br)Br)Br MCULE-1793799453 [0,2,0,0,0,0|1,0,1]=4 1556 B9R1.37 CN1C(=NC(=C1Br)F)Br MCULE-2539092255 [0,2,0,0,0,0|1,0,1]=4 1557 B9R1.37 CN1C(=NC(=C1Cl)Br)Br MCULE-9848836453 [0,2,0,0,0,0|1,0,1]=4 1558 B9R1.37 CN1C(=NC(=C1Cl)Cl)Br MCULE-7073225943 [0,2,0,0,0,0|1,0,1]=4 1559 B9R1.37 CN1C(=NC(=C1Cl)I)I MCULE-8296503243 [0,2,0,0,0,0|1,0,1]=4 1560 B9R1.37 CN1C(=NC(=C1I)I)I MCULE-3950761532 [0,2,0,0,0,0|1,0,1]=4 1561 B9R1.37 CN1C(=O)C=C(C1=O)Br MCULE-6711543006 [0,2,0,0,0,0|1,1,0]=4 1562 B9R1.37 CN1C(=O)C=C(C1=O)N MCULE-4181324260 [0,2,0,0,0,0|1,1,0]=4 1563 B9R1.37 CN1C(=O)NC(=O)C1=O MCULE-3910177119 [0,2,0,0,0,0|0,1,0]=3 1564 B9R1.37 CN1C(=O)NC(=O)C1O MCULE-7416083579 [0,2,0,0,0,0|0,1,1]=4 1565 B9R1.37 CN1C(=S)NC(C1O)O MCULE-2285038904 [0,2,0,0,0,0|0,0,2]=4 1566 B9R1.37 CN1C(=S)SC(=S)N1C MCULE-2748532686 [0,2,0,0,0,0|2,0,0]=4 1567 B9R1.37 CN1C=C(N(C1=S)C)N MCULE-4282160351 [0,2,0,0,0,0|0,0,0]=2 1568 B9R1.37 CN1CC(=O)N(C1=N)C MCULE-2819990793 [0,2,0,0,0,0|1,0,1]=4 1569 B9R1.37 CN1CC(=O)N(C1=N)C MCULE-5017302963 [0,2,0,0,0,0|1,0,1]=4 1570 B9R1.37 CN1CC(=O)N(C1=O)C MCULE-4679697256 [0,2,0,0,0,0|0,1,1]=4 1571 B9R1.37 CN1CC(=O)N(C1=O)N MCULE-1002182902 [0,2,0,0,0,0|0,1,1]=4 1572 B9R1.37 CN1CC(=O)N(C1=S)C MCULE-4702271205 [0,2,0,0,0,0|0,0,1]=3 1573 B9R1.37 CN1N=C(N(C1=O)C)Br MCULE-4102744224 [0,2,0,0,0,0|1,1,0]=4 1574 B9R1.37 CN1N=C(N(C1=O)C)N MCULE-3014568401 [0,2,0,0,0,0|1,1,0]=4 1575 B9R1.37 NN1C(=O)NC(=O)C1=O MCULE-8303778577 [0,2,0,0,0,0|1,1,0]=4 1576 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [0,0,1,1,0,0|1,1,0]=4 1577 B7R1.3 S=C1N=CC=CN1 MCULE-4888458372 [0,0,1,1,0,0|0,0,2]=4 1578 B7R1.3 S=C1NCCCN1 MCULE-6601711997 [0,0,1,1,0,0|0,0,2]=4 1579 B7R1.3 S=C1NCNCN1 MCULE-8557857293 [0,0,1,1,0,0|1,0,1]=4 1580 B7R1.18 CC(=O)N1C=CC1 MCULE-4207230175 [0,0,1,1,0,0|1,1,0]=4 1581 B7R1.18 NC(=S)N1CCC1 MCULE-5688954257 [0,0,1,1,0,0|0,0,2]=4 1582 B9R2.3 C1=CN2CCCC2=N1 MCULE-3501869016 [0,1,0,1,0,0|1,0,1]=4 1583 B9R2.3 C1=CN2CCNC2=N1 MCULE-5044818377 [0,1,0,1,0,0|1,0,1]=4 1584 B9R2.3 C1=CN2N=CC=C2N1 MCULE-5222507760 [0,1,0,1,0,0|1,0,1]=4