0 B7R1.4 BrC1=C(C=CS1)I MCULE-7141297814 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 BrC1=C(OC=C1)Br MCULE-7426166356 [0,0,0,0,0,0|3,1,0]=4 2 B7R1.4 BrC1=C(OC=C1)I MCULE-5137662121 [0,0,0,0,0,0|3,1,0]=4 3 B7R1.4 BrC1=C(SC=C1)Br MCULE-8784672229 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 BrC1=C(SC=C1)I MCULE-2413290381 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 BrC1=C(SC=N1)Br MCULE-9044788604 [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|2,1,0]=3 7 B7R1.4 CC1=C(C=CO1)N MCULE-8304976100 [0,0,0,0,0,0|2,1,0]=3 8 B7R1.4 CC1=C(C=CO1)S MCULE-3331659980 [0,0,0,0,0,0|1,2,0]=3 9 B7R1.4 CC1=C(C=CO1)S MCULE-8172133853 [0,0,0,0,0,0|1,2,0]=3 10 B7R1.4 CC1=C(C=CS1)Br MCULE-6374195818 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.4 CC1=C(C=CS1)Cl MCULE-9362082266 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.4 CC1=C(C=CS1)N MCULE-4152889855 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.4 CC1=C(C=CS1)N MCULE-4377439924 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.4 CC1=C(C=NO1)Br MCULE-3480380556 [0,0,0,0,0,0|3,1,0]=4 15 B7R1.4 CC1=C(C=NO1)I MCULE-1012314205 [0,0,0,0,0,0|3,1,0]=4 16 B7R1.4 CC1=C(C=NO1)N MCULE-4982899453 [0,0,0,0,0,0|3,1,0]=4 17 B7R1.4 CC1=C(C=NO1)N MCULE-8792251798 [0,0,0,0,0,0|3,1,0]=4 18 B7R1.4 CC1=C(N=CN1)Br MCULE-4822078952 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.4 CC1=C(N=CO1)Br MCULE-5720800030 [0,0,0,0,0,0|3,1,0]=4 20 B7R1.4 CC1=C(N=CO1)Br MCULE-6592849789 [0,0,0,0,0,0|3,1,0]=4 21 B7R1.4 CC1=C(N=CS1)Br MCULE-3598899188 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.4 CC1=C(N=CS1)N MCULE-4599689544 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.4 CC1=C(N=CS1)N MCULE-6109505951 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.4 CC1=C(NC=N1)C MCULE-3430810073 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.4 CC1=C(NC=N1)C MCULE-5193092074 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.4 CC1=C(NC=N1)C MCULE-6091617996 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.4 CC1=C(NC=N1)Cl MCULE-6148548368 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.4 CC1=C(NC=N1)I MCULE-1624555725 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.4 CC1=C(NC=N1)N MCULE-8683874466 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.4 CC1=C(NC=N1)N MCULE-9896966586 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.4 CC1=C(OC=C1)Br MCULE-4484142471 [0,0,0,0,0,0|3,1,0]=4 33 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [0,0,0,0,0,0|2,1,0]=3 34 B7R1.4 CC1=C(OC=N1)Br MCULE-1847779575 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.4 CC1=C(OC=N1)Br MCULE-6842310823 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.4 CC1=C(OC=N1)C MCULE-6212214015 [0,0,0,0,0,0|3,1,0]=4 37 B7R1.4 CC1=C(OC=N1)N MCULE-5764234577 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.4 CC1=C(ON=C1)C MCULE-2037233742 [0,0,0,0,0,0|3,1,0]=4 39 B7R1.4 CC1=C(SC=C1)Br MCULE-3746729659 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.4 CC1=C(SC=C1)C MCULE-6742776055 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.4 CC1=C(SC=C1)Cl MCULE-4683627316 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.4 CC1=C(SC=C1)I MCULE-4074297086 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.4 CC1=C(SC=C1)S MCULE-6807943440 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.4 CC1=C(SC=N1)Br MCULE-8419392309 [0,0,0,0,0,0|4,0,0]=4 45 B7R1.4 CC1=C(SC=N1)C MCULE-4501873392 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.4 CC1=C(SC=N1)N MCULE-1396035800 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.4 CC1=C(SC=N1)N MCULE-3965111306 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.4 CC1=C(SN=C1)Br MCULE-7236338600 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.4 CC1=CC=CN1C MCULE-7997774693 [0,0,0,0,0,0|2,0,0]=2 50 B7R1.4 CC1=CC=NN1C MCULE-9285969175 [0,0,0,0,0,0|2,0,0]=2 51 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,0,0,0,0,0|2,0,2]=4 52 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.4 CC1=CN=CN1C MCULE-8637470675 [0,0,0,0,0,0|3,0,0]=3 54 B7R1.4 CC1=CNC=C1C MCULE-4758724479 [0,0,0,0,0,0|4,0,0]=4 55 B7R1.4 CC1=CNN=C1C MCULE-2020565239 [0,0,0,0,0,0|4,0,0]=4 56 B7R1.4 CC1=CNN=C1C MCULE-5379672633 [0,0,0,0,0,0|4,0,0]=4 57 B7R1.4 CC1=CNN=C1C MCULE-8376501296 [0,0,0,0,0,0|4,0,0]=4 58 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [0,0,0,0,0,0|4,0,0]=4 59 B7R1.4 CC1=COC=C1Br MCULE-5316317633 [0,0,0,0,0,0|4,0,0]=4 60 B7R1.4 CC1=CSC=C1Br MCULE-5733157832 [0,0,0,0,0,0|4,0,0]=4 61 B7R1.4 CC1=CSC=C1C MCULE-2505833521 [0,0,0,0,0,0|4,0,0]=4 62 B7R1.4 CC1=CSC=C1N MCULE-2229858743 [0,0,0,0,0,0|4,0,0]=4 63 B7R1.4 CC1=CSC=C1N MCULE-9678851280 [0,0,0,0,0,0|4,0,0]=4 64 B7R1.4 CC1=CSC=C1N MCULE-9850701502 [0,0,0,0,0,0|4,0,0]=4 65 B7R1.4 CC1=NC=CN1C MCULE-6619799827 [0,0,0,0,0,0|3,0,0]=3 66 B7R1.4 CC1=NC=CN1N MCULE-7103111251 [0,0,0,0,0,0|4,0,0]=4 67 B7R1.4 CC1=NN=NN1C MCULE-4049393322 [0,0,0,0,0,0|4,0,0]=4 68 B7R1.4 CC1=NNC=C1Br MCULE-1749367684 [0,0,0,0,0,0|4,0,0]=4 69 B7R1.4 CC1=NNC=C1Br MCULE-5959094368 [0,0,0,0,0,0|4,0,0]=4 70 B7R1.4 CC1=NNC=C1Cl MCULE-1754129627 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.4 CC1=NNC=C1Cl MCULE-4343252949 [0,0,0,0,0,0|4,0,0]=4 72 B7R1.4 CC1=NNC=C1I MCULE-9590566058 [0,0,0,0,0,0|4,0,0]=4 73 B7R1.4 CC1=NNC=C1N MCULE-2511920915 [0,0,0,0,0,0|4,0,0]=4 74 B7R1.4 CC1=NNC=C1N MCULE-5966078729 [0,0,0,0,0,0|4,0,0]=4 75 B7R1.4 CC1=NNC=C1N MCULE-6524486526 [0,0,0,0,0,0|4,0,0]=4 76 B7R1.4 CC1=NOC=C1Br MCULE-7195499083 [0,0,0,0,0,0|4,0,0]=4 77 B7R1.4 CC1=NOC=C1N MCULE-4953481155 [0,0,0,0,0,0|4,0,0]=4 78 B7R1.4 CC1=NOC=C1N MCULE-7158422089 [0,0,0,0,0,0|4,0,0]=4 79 B7R1.4 CC1=NSC=C1Br MCULE-5960176770 [0,0,0,0,0,0|4,0,0]=4 80 B7R1.4 CC1=NSC=C1N MCULE-1714579639 [0,0,0,0,0,0|4,0,0]=4 81 B7R1.4 CC1=NSC=C1N MCULE-8952603976 [0,0,0,0,0,0|4,0,0]=4 82 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [0,0,0,0,0,0|4,0,0]=4 83 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,0,0,0,0,0|2,0,2]=4 84 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,0,0,0,0,0|3,0,1]=4 85 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,0,0,0,0,0|3,0,1]=4 86 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,0,0,0,0,0|3,0,1]=4 87 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,0,0,0,0,0|3,0,1]=4 88 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,0,0,0,0,0|3,0,1]=4 89 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,0,0,0,0,0|3,0,1]=4 90 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,0,0,0,0,0|2,0,2]=4 91 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,0,0,0,0,0|2,0,2]=4 92 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,0,0,0,0,0|1,1,2]=4 93 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,0,0,0,0,0|1,0,2]=3 94 B7R1.4 CN1C=CC=C1Cl MCULE-2760073099 [0,0,0,0,0,0|2,0,0]=2 95 B7R1.4 CN1C=CC=C1O MCULE-1520569878 [0,0,0,0,0,0|1,0,1]=2 96 B7R1.4 CN1C=CN=C1Br MCULE-7145092626 [0,0,0,0,0,0|3,0,0]=3 97 B7R1.4 CN1C=CN=C1Br MCULE-9624456848 [0,0,0,0,0,0|3,0,0]=3 98 B7R1.4 CN1C=CN=C1Br MCULE-9641055441 [0,0,0,0,0,0|3,0,0]=3 99 B7R1.4 CN1C=CN=C1Cl MCULE-2044150179 [0,0,0,0,0,0|3,0,0]=3 100 B7R1.4 CN1C=CN=C1F MCULE-8834010271 [0,0,0,0,0,0|3,0,0]=3 101 B7R1.4 CN1C=CN=C1I MCULE-7034235074 [0,0,0,0,0,0|3,0,0]=3 102 B7R1.4 CN1C=CN=C1N MCULE-2411967317 [0,0,0,0,0,0|3,0,0]=3 103 B7R1.4 CN1C=CN=C1N MCULE-3692285948 [0,0,0,0,0,0|3,0,0]=3 104 B7R1.4 CN1C=CN=C1S MCULE-9902292741 [0,0,0,0,0,0|2,1,0]=3 105 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [0,0,0,0,0,0|2,0,0]=2 106 B7R1.4 CN1C=CSC1=N MCULE-1912030151 [0,0,0,0,0,0|3,0,0]=3 107 B7R1.4 CN1C=CSC1=N MCULE-5071203135 [0,0,0,0,0,0|3,0,0]=3 108 B7R1.4 CN1C=NC=C1Br MCULE-4063775513 [0,0,0,0,0,0|3,0,0]=3 109 B7R1.4 CN1C=NC=C1Cl MCULE-7656904356 [0,0,0,0,0,0|3,0,0]=3 110 B7R1.4 CN1C=NC=C1I MCULE-2084832066 [0,0,0,0,0,0|3,0,0]=3 111 B7R1.4 CN1C=NC=C1N MCULE-2609753262 [0,0,0,0,0,0|3,0,0]=3 112 B7R1.4 CN1C=NC=C1N MCULE-2778216793 [0,0,0,0,0,0|3,0,0]=3 113 B7R1.4 CN1C=NC=C1N MCULE-2990193139 [0,0,0,0,0,0|3,0,0]=3 114 B7R1.4 CN1C=NC=C1N MCULE-9123603511 [0,0,0,0,0,0|3,0,0]=3 115 B7R1.4 CN1C=NN=C1Br MCULE-8529276148 [0,0,0,0,0,0|4,0,0]=4 116 B7R1.4 CN1C=NN=C1Cl MCULE-8626422493 [0,0,0,0,0,0|4,0,0]=4 117 B7R1.4 CN1C=NN=C1I MCULE-6965187060 [0,0,0,0,0,0|4,0,0]=4 118 B7R1.4 CN1C=NN=C1N MCULE-2833363716 [0,0,0,0,0,0|4,0,0]=4 119 B7R1.4 CN1C=NN=C1N MCULE-4445263768 [0,0,0,0,0,0|4,0,0]=4 120 B7R1.4 CN1C=NN=C1N MCULE-8779561450 [0,0,0,0,0,0|4,0,0]=4 121 B7R1.4 CN1C=NN=C1S MCULE-6696883748 [0,0,0,0,0,0|3,1,0]=4 122 B7R1.4 CN1C=NNC1=O MCULE-2122203722 [0,0,0,0,0,0|3,0,0]=3 123 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [0,0,0,0,0,0|1,0,0]=1 124 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,0,0,0,0,0|1,0,2]=3 125 B7R1.4 CN1CCCC1=S MCULE-1990879544 [0,0,0,0,0,0|1,1,2]=4 126 B7R1.4 CN1CCN=C1N MCULE-2837197751 [0,0,0,0,0,0|3,0,1]=4 127 B7R1.4 CN1CCN=C1N MCULE-3453498956 [0,0,0,0,0,0|3,0,1]=4 128 B7R1.4 CN1CCN=C1N MCULE-5148335318 [0,0,0,0,0,0|3,0,1]=4 129 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,0,0,0,0,0|2,0,1]=3 130 B7R1.4 CN1CCNC1=S MCULE-5960493935 [0,0,0,0,0,0|2,1,1]=4 131 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,0,0,0,0,0|2,0,1]=3 132 B7R1.4 CN1CCSC1=N MCULE-4301061048 [0,0,0,0,0,0|3,0,1]=4 133 B7R1.4 CN1CCSC1=N MCULE-6525392774 [0,0,0,0,0,0|3,0,1]=4 134 B7R1.4 CN1CCSC1=S MCULE-4468510205 [0,0,0,0,0,0|2,1,1]=4 135 B7R1.4 CN1CNCC1=O MCULE-2252466841 [0,0,0,0,0,0|2,0,1]=3 136 B7R1.4 CN1N=CC=C1Br MCULE-7101001570 [0,0,0,0,0,0|2,0,0]=2 137 B7R1.4 CN1N=CC=C1Cl MCULE-8962391076 [0,0,0,0,0,0|2,0,0]=2 138 B7R1.4 CN1N=CC=C1F MCULE-6023753197 [0,0,0,0,0,0|2,0,0]=2 139 B7R1.4 CN1N=CC=C1I MCULE-2407065536 [0,0,0,0,0,0|2,0,0]=2 140 B7R1.4 CN1N=CC=C1N MCULE-1453941617 [0,0,0,0,0,0|2,0,0]=2 141 B7R1.4 CN1N=CC=C1N MCULE-2315795709 [0,0,0,0,0,0|2,0,0]=2 142 B7R1.4 CN1N=CC=C1O MCULE-1012956210 [0,0,0,0,0,0|1,0,1]=2 143 B7R1.4 CN1N=CC=C1O MCULE-9024912006 [0,0,0,0,0,0|1,0,1]=2 144 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [0,0,0,0,0,0|1,0,1]=2 145 B7R1.4 CN1N=CN=C1Br MCULE-6069727899 [0,0,0,0,0,0|3,0,0]=3 146 B7R1.4 CN1N=CN=C1Cl MCULE-1080751182 [0,0,0,0,0,0|3,0,0]=3 147 B7R1.4 CN1N=CN=C1I MCULE-7677084001 [0,0,0,0,0,0|3,0,0]=3 148 B7R1.4 CN1N=CN=C1N MCULE-3817790062 [0,0,0,0,0,0|3,0,0]=3 149 B7R1.4 CN1N=NC=C1Br MCULE-5881566979 [0,0,0,0,0,0|3,0,0]=3 150 B7R1.4 CN1N=NC=C1I MCULE-4001982422 [0,0,0,0,0,0|3,0,0]=3 151 B7R1.4 CN1N=NC=C1N MCULE-4897577761 [0,0,0,0,0,0|3,0,0]=3 152 B7R1.4 CN1N=NC=C1S MCULE-8699842605 [0,0,0,0,0,0|2,1,0]=3 153 B7R1.4 CN1N=NN=C1Br MCULE-1254412115 [0,0,0,0,0,0|4,0,0]=4 154 B7R1.4 CN1N=NN=C1Cl MCULE-4981455746 [0,0,0,0,0,0|4,0,0]=4 155 B7R1.4 CN1N=NN=C1I MCULE-5040412884 [0,0,0,0,0,0|4,0,0]=4 156 B7R1.4 CN1N=NN=C1N MCULE-8119048357 [0,0,0,0,0,0|4,0,0]=4 157 B7R1.4 CN1N=NN=C1O MCULE-9112881853 [0,0,0,0,0,0|3,0,1]=4 158 B7R1.4 CN1N=NN=C1S MCULE-8861185464 [0,0,0,0,0,0|3,1,0]=4 159 B7R1.4 CN1N=NN=C1[S-] MCULE-6732830821 [0,0,0,0,0,0|3,1,0]=4 160 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [0,0,0,0,0,0|1,0,0]=1 161 B7R1.4 CN1NC=NC1=O MCULE-2476320995 [0,0,0,0,0,0|2,0,0]=2 162 B7R1.4 CN1SC=CC1=O MCULE-3887229553 [0,0,0,0,0,0|0,0,0]=0 163 B7R1.4 CN1SC=CC1=O MCULE-5825912822 [0,0,0,0,0,0|0,0,0]=0 164 B7R1.4 CN1SC=CC1=S MCULE-4327458448 [0,0,0,0,0,0|0,1,0]=1 165 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,0,0,0,0,0|3,0,1]=4 166 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,0,0,0,0,0|3,0,1]=4 167 B7R1.4 ClC1=C(C=CS1)Br MCULE-5904573808 [0,0,0,0,0,0|3,0,0]=3 168 B7R1.4 ClC1=C(SC=C1)Br MCULE-5923516825 [0,0,0,0,0,0|3,0,0]=3 169 B7R1.4 ClC1=C(SC=C1)Cl MCULE-8641122898 [0,0,0,0,0,0|3,0,0]=3 170 B7R1.4 ClC1=C(SC=C1)I MCULE-1131161173 [0,0,0,0,0,0|3,0,0]=3 171 B7R1.4 IC1=C(SN=C1)I MCULE-2504821151 [0,0,0,0,0,0|4,0,0]=4 172 B7R1.4 NC1=C(C=CS1)Br MCULE-9931355765 [0,0,0,0,0,0|3,0,0]=3 173 B7R1.4 NC1=C(SC=C1)Br MCULE-5177518644 [0,0,0,0,0,0|3,0,0]=3 174 B7R1.4 NC1=C(SC=C1)Br MCULE-9842294434 [0,0,0,0,0,0|3,0,0]=3 175 B7R1.4 NC1=C(SC=C1)Cl MCULE-3109484453 [0,0,0,0,0,0|3,0,0]=3 176 B7R1.4 NC1=C(SC=C1)Cl MCULE-4898124373 [0,0,0,0,0,0|3,0,0]=3 177 B7R1.4 NC1=C(SC=N1)Br MCULE-5191475456 [0,0,0,0,0,0|4,0,0]=4 178 B7R1.4 NN1C=NNC1=O MCULE-1613661520 [0,0,0,0,0,0|4,0,0]=4 179 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,0,0,0,0,0|2,0,2]=4 180 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,0,0,0,0,0|2,0,2]=4 181 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,0,0,0,0,0|3,0,1]=4 182 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,0,0,0,0,0|3,0,1]=4 183 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,0,0,0,0,0|3,0,1]=4 184 B6R1.2 BrC1=CC=CN1 MCULE-5264580992 [1,0,0,0,0,0|2,0,0]=3 185 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [1,0,0,0,0,0|2,1,0]=4 186 B6R1.2 BrC1=CC=CS1 MCULE-1364150691 [1,0,0,0,0,0|2,0,0]=3 187 B6R1.2 BrC1=CC=C[Se]1 MCULE-9011330064 [1,0,0,0,0,0|2,1,0]=4 188 B6R1.2 BrC1=CC=NN1 MCULE-9341716246 [1,0,0,0,0,0|2,0,0]=3 189 B6R1.2 BrC1=CC=NO1 MCULE-9219362534 [1,0,0,0,0,0|3,0,0]=4 190 B6R1.2 BrC1=CC=NS1 MCULE-2346915540 [1,0,0,0,0,0|3,0,0]=4 191 B6R1.2 BrC1=CN=CS1 MCULE-2394006568 [1,0,0,0,0,0|3,0,0]=4 192 B6R1.2 BrC1=CN=NN1 MCULE-2047133140 [1,0,0,0,0,0|3,0,0]=4 193 B6R1.2 BrC1=CNC=C1 MCULE-2704154564 [1,0,0,0,0,0|3,0,0]=4 194 B6R1.2 BrC1=COC=C1 MCULE-7282301463 [1,0,0,0,0,0|2,1,0]=4 195 B6R1.2 BrC1=CSC=C1 MCULE-6680927224 [1,0,0,0,0,0|2,0,0]=3 196 B6R1.2 BrC1=CSC=N1 MCULE-6952917931 [1,0,0,0,0,0|3,0,0]=4 197 B6R1.2 BrC1=CSN=C1 MCULE-2285235944 [1,0,0,0,0,0|3,0,0]=4 198 B6R1.2 BrC1=NC=CN1 MCULE-6985395799 [1,0,0,0,0,0|3,0,0]=4 199 B6R1.2 BrC1=NC=CN1 MCULE-8632789036 [1,0,0,0,0,0|3,0,0]=4 200 B6R1.2 BrC1=NC=CS1 MCULE-9214561330 [1,0,0,0,0,0|3,0,0]=4 201 B6R1.2 BrC1=NOC=C1 MCULE-1786338778 [1,0,0,0,0,0|1,1,1]=4 202 B6R1.2 BrC1=NSC=C1 MCULE-5948625316 [1,0,0,0,0,0|1,0,1]=3 203 B6R1.2 BrC1=NSC=N1 MCULE-1462040970 [1,0,0,0,0,0|2,0,1]=4 204 B6R1.2 BrN1CC=CS1 MCULE-6872896536 [1,0,0,0,0,0|1,0,1]=3 205 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [1,0,0,0,0,0|2,0,0]=3 206 B6R1.2 CC1=CC=CN1 MCULE-7608248575 [1,0,0,0,0,0|2,0,0]=3 207 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [1,0,0,0,0,0|1,1,0]=3 208 B6R1.2 CC1=CC=CS1 MCULE-7297776024 [1,0,0,0,0,0|1,0,0]=2 209 B6R1.2 CC1=CC=NN1 MCULE-1457877312 [1,0,0,0,0,0|2,0,0]=3 210 B6R1.2 CC1=CC=NN1 MCULE-3441401586 [1,0,0,0,0,0|2,0,0]=3 211 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [1,0,0,0,0,0|2,1,0]=4 212 B6R1.2 CC1=CC=NS1 MCULE-4163670775 [1,0,0,0,0,0|2,0,0]=3 213 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [1,0,0,0,0,0|2,1,0]=4 214 B6R1.2 CC1=CN=CS1 MCULE-8510377651 [1,0,0,0,0,0|2,0,0]=3 215 B6R1.2 CC1=CN=NS1 MCULE-3290022680 [1,0,0,0,0,0|3,0,0]=4 216 B6R1.2 CC1=CNC=C1 MCULE-9114555776 [1,0,0,0,0,0|3,0,0]=4 217 B6R1.2 CC1=CNC=N1 MCULE-9375719449 [1,0,0,0,0,0|3,0,0]=4 218 B6R1.2 CC1=COC=C1 MCULE-1597223627 [1,0,0,0,0,0|2,1,0]=4 219 B6R1.2 CC1=COC=N1 MCULE-3497089982 [1,0,0,0,0,0|3,0,0]=4 220 B6R1.2 CC1=CSC=C1 MCULE-1408158529 [1,0,0,0,0,0|2,0,0]=3 221 B6R1.2 CC1=CSC=N1 MCULE-3711308900 [1,0,0,0,0,0|3,0,0]=4 222 B6R1.2 CC1=CSN=C1 MCULE-2603580928 [1,0,0,0,0,0|3,0,0]=4 223 B6R1.2 CC1=NC=CN1 MCULE-4484196639 [1,0,0,0,0,0|3,0,0]=4 224 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [1,0,0,0,0,0|2,1,0]=4 225 B6R1.2 CC1=NC=CS1 MCULE-6863408892 [1,0,0,0,0,0|2,0,0]=3 226 B6R1.2 CC1=NN=CS1 MCULE-5068390093 [1,0,0,0,0,0|3,0,0]=4 227 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [1,0,0,0,0,0|1,1,1]=4 228 B6R1.2 CC1=NSC=C1 MCULE-6941128185 [1,0,0,0,0,0|1,0,1]=3 229 B6R1.2 CC1=NSN=C1 MCULE-8318780980 [1,0,0,0,0,0|2,0,1]=4 230 B6R1.2 CC1C=CCC1 MCULE-1638534048 [1,0,0,0,0,0|2,0,1]=4 231 B6R1.2 CN1C=CC=C1 MCULE-4929965979 [1,0,0,0,0,0|1,0,0]=2 232 B6R1.2 CN1C=CC=N1 MCULE-9409141633 [1,0,0,0,0,0|1,0,0]=2 233 B6R1.2 CN1C=CN=C1 MCULE-1468573178 [1,0,0,0,0,0|2,0,0]=3 234 B6R1.2 CN1C=CN=C1 MCULE-1857627459 [1,0,0,0,0,0|2,0,0]=3 235 B6R1.2 CN1C=CN=C1 MCULE-3087755909 [1,0,0,0,0,0|2,0,0]=3 236 B6R1.2 CN1C=CN=C1 MCULE-7326970566 [1,0,0,0,0,0|2,0,0]=3 237 B6R1.2 CN1C=CN=C1 MCULE-7347723440 [1,0,0,0,0,0|2,0,0]=3 238 B6R1.2 CN1C=CN=N1 MCULE-5243651327 [1,0,0,0,0,0|2,0,0]=3 239 B6R1.2 CN1C=C[NH+]=C1 MCULE-1511454799 [1,0,0,0,0,0|2,0,0]=3 240 B6R1.2 CN1C=NC=N1 MCULE-7058833727 [1,0,0,0,0,0|2,0,0]=3 241 B6R1.2 CN1C=NN=C1 MCULE-6264363668 [1,0,0,0,0,0|3,0,0]=4 242 B6R1.2 CN1C=NN=N1 MCULE-3160538239 [1,0,0,0,0,0|3,0,0]=4 243 B6R1.2 CN1CC=CC1 MCULE-2586884916 [1,0,0,0,0,0|1,0,1]=3 244 B6R1.2 CN1N=CN=N1 MCULE-7206818291 [1,0,0,0,0,0|3,0,0]=4 245 B6R1.2 ClC1=CC=CO1 MCULE-3538307465 [1,0,0,0,0,0|2,1,0]=4 246 B6R1.2 ClC1=CC=CS1 MCULE-2640438050 [1,0,0,0,0,0|2,0,0]=3 247 B6R1.2 ClC1=CC=NN1 MCULE-3560728451 [1,0,0,0,0,0|2,0,0]=3 248 B6R1.2 ClC1=CN=CS1 MCULE-6088272612 [1,0,0,0,0,0|3,0,0]=4 249 B6R1.2 ClC1=CSC=C1 MCULE-1998275400 [1,0,0,0,0,0|2,0,0]=3 250 B6R1.2 ClC1=CSC=N1 MCULE-9647338017 [1,0,0,0,0,0|3,0,0]=4 251 B6R1.2 ClC1=CSN=C1 MCULE-6113180722 [1,0,0,0,0,0|3,0,0]=4 252 B6R1.2 ClC1=NC=CN1 MCULE-6072122645 [1,0,0,0,0,0|3,0,0]=4 253 B6R1.2 ClC1=NC=CS1 MCULE-6673458969 [1,0,0,0,0,0|3,0,0]=4 254 B6R1.2 ClC1=NC=NN1 MCULE-2300203419 [1,0,0,0,0,0|3,0,0]=4 255 B6R1.2 ClC1=NNC=C1 MCULE-6678816051 [1,0,0,0,0,0|2,0,1]=4 256 B6R1.2 ClC1=NSC=C1 MCULE-5743382341 [1,0,0,0,0,0|1,0,1]=3 257 B6R1.2 ClC1=NSC=N1 MCULE-9114546823 [1,0,0,0,0,0|2,0,1]=4 258 B6R1.2 ClC1=NSN=C1 MCULE-7976412441 [1,0,0,0,0,0|2,0,1]=4 259 B6R1.2 FC1=CC=CS1 MCULE-5362233873 [1,0,0,0,0,0|2,0,0]=3 260 B6R1.2 FC1=CN=CN1 MCULE-9951835141 [1,0,0,0,0,0|3,0,0]=4 261 B6R1.2 FC1=CSC=C1 MCULE-3342972910 [1,0,0,0,0,0|2,0,0]=3 262 B6R1.2 FC1=NC=CN1 MCULE-1860701993 [1,0,0,0,0,0|3,0,0]=4 263 B6R1.2 FC1=NC=CN1 MCULE-5026249596 [1,0,0,0,0,0|3,0,0]=4 264 B6R1.2 FC1=NC=CS1 MCULE-3710058771 [1,0,0,0,0,0|3,0,0]=4 265 B6R1.2 FC1=NC=NN1 MCULE-7446864956 [1,0,0,0,0,0|3,0,0]=4 266 B6R1.2 FC1=NNC=C1 MCULE-3532126949 [1,0,0,0,0,0|2,0,1]=4 267 B6R1.2 IC1=CC=CO1 MCULE-6467830719 [1,0,0,0,0,0|2,1,0]=4 268 B6R1.2 IC1=CC=CS1 MCULE-6025659368 [1,0,0,0,0,0|2,0,0]=3 269 B6R1.2 IC1=CC=NN1 MCULE-9744954898 [1,0,0,0,0,0|2,0,0]=3 270 B6R1.2 IC1=CC=NS1 MCULE-7758361866 [1,0,0,0,0,0|3,0,0]=4 271 B6R1.2 IC1=CN=CS1 MCULE-1577269526 [1,0,0,0,0,0|3,0,0]=4 272 B6R1.2 IC1=CN=NN1 MCULE-7145950428 [1,0,0,0,0,0|3,0,0]=4 273 B6R1.2 IC1=CNC=C1 MCULE-4230351559 [1,0,0,0,0,0|3,0,0]=4 274 B6R1.2 IC1=CSC=C1 MCULE-1100365117 [1,0,0,0,0,0|2,0,0]=3 275 B6R1.2 IC1=CSN=C1 MCULE-5646861702 [1,0,0,0,0,0|3,0,0]=4 276 B6R1.2 IC1=NC=CN1 MCULE-1690537323 [1,0,0,0,0,0|3,0,0]=4 277 B6R1.2 IC1=NC=CS1 MCULE-9500451238 [1,0,0,0,0,0|3,0,0]=4 278 B6R1.2 IC1=NNC=C1 MCULE-9771094813 [1,0,0,0,0,0|2,0,1]=4 279 B6R1.2 IN1C=CN=C1 MCULE-4410570789 [1,0,0,0,0,0|3,0,0]=4 280 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [1,0,0,0,0,0|2,0,0]=3 281 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [1,0,0,0,0,0|2,0,0]=3 282 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [1,0,0,0,0,0|2,1,0]=4 283 B6R1.2 NC1=CC=CS1 MCULE-1649510352 [1,0,0,0,0,0|2,0,0]=3 284 B6R1.2 NC1=CC=CS1 MCULE-9501271303 [1,0,0,0,0,0|2,0,0]=3 285 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [1,0,0,0,0,0|3,0,0]=4 286 B6R1.2 NC1=CC=NS1 MCULE-2159626770 [1,0,0,0,0,0|3,0,0]=4 287 B6R1.2 NC1=CC=NS1 MCULE-8733584582 [1,0,0,0,0,0|3,0,0]=4 288 B6R1.2 NC1=CCNN1 MCULE-1539779543 [1,0,0,0,0,0|2,0,1]=4 289 B6R1.2 NC1=CCNN1 MCULE-3460056890 [1,0,0,0,0,0|2,0,1]=4 290 B6R1.2 NC1=CCNN1 MCULE-5423983278 [1,0,0,0,0,0|2,0,1]=4 291 B6R1.2 NC1=CN=CN1 MCULE-3029255616 [1,0,0,0,0,0|3,0,0]=4 292 B6R1.2 NC1=CN=CN1 MCULE-8873453977 [1,0,0,0,0,0|3,0,0]=4 293 B6R1.2 NC1=CN=CN1 MCULE-9206811415 [1,0,0,0,0,0|3,0,0]=4 294 B6R1.2 NC1=CN=CS1 MCULE-1239962681 [1,0,0,0,0,0|3,0,0]=4 295 B6R1.2 NC1=CN=CS1 MCULE-3685342495 [1,0,0,0,0,0|3,0,0]=4 296 B6R1.2 NC1=CN=CS1 MCULE-7122700564 [1,0,0,0,0,0|3,0,0]=4 297 B6R1.2 NC1=CNC=C1 MCULE-1411730985 [1,0,0,0,0,0|3,0,0]=4 298 B6R1.2 NC1=CNC=C1 MCULE-7701316156 [1,0,0,0,0,0|3,0,0]=4 299 B6R1.2 NC1=COC=C1 MCULE-1858324031 [1,0,0,0,0,0|2,1,0]=4 300 B6R1.2 NC1=COC=C1 MCULE-3985426542 [1,0,0,0,0,0|2,1,0]=4 301 B6R1.2 NC1=CSC=C1 MCULE-1673174137 [1,0,0,0,0,0|2,0,0]=3 302 B6R1.2 NC1=CSC=C1 MCULE-5461897385 [1,0,0,0,0,0|2,0,0]=3 303 B6R1.2 NC1=CSC=C1 MCULE-6200615331 [1,0,0,0,0,0|2,0,0]=3 304 B6R1.2 NC1=CSC=C1 MCULE-9439581665 [1,0,0,0,0,0|2,0,0]=3 305 B6R1.2 NC1=CSC=N1 MCULE-3316985941 [1,0,0,0,0,0|3,0,0]=4 306 B6R1.2 NC1=CSC=N1 MCULE-4767298680 [1,0,0,0,0,0|3,0,0]=4 307 B6R1.2 NC1=CSN=C1 MCULE-8555779572 [1,0,0,0,0,0|3,0,0]=4 308 B6R1.2 NC1=CSN=C1 MCULE-9110365089 [1,0,0,0,0,0|3,0,0]=4 309 B6R1.2 NC1=CSN=C1 MCULE-9229676240 [1,0,0,0,0,0|3,0,0]=4 310 B6R1.2 NC1=NC=CN1 MCULE-4937045321 [1,0,0,0,0,0|3,0,0]=4 311 B6R1.2 NC1=NC=CN1 MCULE-6371804569 [1,0,0,0,0,0|3,0,0]=4 312 B6R1.2 NC1=NC=CN1 MCULE-7485953374 [1,0,0,0,0,0|3,0,0]=4 313 B6R1.2 NC1=NC=CN1 MCULE-9607974759 [1,0,0,0,0,0|3,0,0]=4 314 B6R1.2 NC1=NC=CS1 MCULE-1506905792 [1,0,0,0,0,0|3,0,0]=4 315 B6R1.2 NC1=NC=CS1 MCULE-8550608343 [1,0,0,0,0,0|3,0,0]=4 316 B6R1.2 NC1=NC=NN1 MCULE-6203622976 [1,0,0,0,0,0|3,0,0]=4 317 B6R1.2 NC1=NNC=C1 MCULE-1507683823 [1,0,0,0,0,0|2,0,1]=4 318 B6R1.2 NC1=NNC=C1 MCULE-5117516307 [1,0,0,0,0,0|2,0,1]=4 319 B6R1.2 NC1=NNC=C1 MCULE-7091290697 [1,0,0,0,0,0|2,0,1]=4 320 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [1,0,0,0,0,0|1,1,1]=4 321 B6R1.2 NC1=NSC=C1 MCULE-2731864153 [1,0,0,0,0,0|1,0,1]=3 322 B6R1.2 NC1=NSC=C1 MCULE-4778941442 [1,0,0,0,0,0|1,0,1]=3 323 B6R1.2 NC1=NSC=N1 MCULE-1210037167 [1,0,0,0,0,0|2,0,1]=4 324 B6R1.2 NC1=NSN=C1 MCULE-5043071924 [1,0,0,0,0,0|2,0,1]=4 325 B6R1.2 NC1=NSN=C1 MCULE-5186512230 [1,0,0,0,0,0|2,0,1]=4 326 B6R1.2 NN1C=CC=C1 MCULE-9328309132 [1,0,0,0,0,0|2,0,0]=3 327 B6R1.2 NN1C=CC=N1 MCULE-1897324593 [1,0,0,0,0,0|2,0,0]=3 328 B6R1.2 NN1C=CN=C1 MCULE-6804632943 [1,0,0,0,0,0|3,0,0]=4 329 B6R1.2 NN1C=CN=C1 MCULE-9704502703 [1,0,0,0,0,0|3,0,0]=4 330 B6R1.2 NN1C=CN=N1 MCULE-2003837529 [1,0,0,0,0,0|3,0,0]=4 331 B6R1.2 NN1C=CN=N1 MCULE-2708002414 [1,0,0,0,0,0|3,0,0]=4 332 B6R1.2 NN1C=NC=N1 MCULE-2428153714 [1,0,0,0,0,0|3,0,0]=4 333 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,0,0,0|2,0,0]=3 334 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,0,0,0|1,0,0]=2 335 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,0,0,0|2,0,0]=3 336 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [1,0,0,0,0,0|2,0,0]=3 337 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [1,0,0,0,0,0|1,0,0]=2 338 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,0,0,0|1,0,0]=2 339 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [1,0,0,0,0,0|0,0,0]=1 340 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,0,0,0|2,0,1]=4 341 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,0,0,0|1,0,1]=3 342 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,0,0,0|1,0,2]=4 343 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,0,0,0|1,0,2]=4 344 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,0,0,0|0,1,2]=4 345 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,0,0,0|1,0,2]=4 346 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,0,0,0|1,0,2]=4 347 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,0,0,0|2,0,1]=4 348 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,0,0,0|2,0,1]=4 349 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,0,0,0|2,0,1]=4 350 B6R1.2 O=C1N=CN=N1 MCULE-3721166402 [1,0,0,0,0,0|2,0,1]=4 351 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [1,0,0,0,0,0|2,0,0]=3 352 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,0,0,0|2,0,0]=3 353 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [1,0,0,0,0,0|2,0,0]=3 354 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [1,0,0,0,0,0|2,0,0]=3 355 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,0,0,0|2,0,1]=4 356 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,0,0,0|2,0,1]=4 357 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,0,0,0|2,0,1]=4 358 B6R1.2 O=C1NN=NN1 MCULE-2843823671 [1,0,0,0,0,0|3,0,0]=4 359 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [1,0,0,0,0,0|3,0,0]=4 360 B6R1.2 OC1=CC=CO1 MCULE-7591676996 [1,0,0,0,0,0|2,0,1]=4 361 B6R1.2 OC1=CC=CS1 MCULE-8044830478 [1,0,0,0,0,0|2,0,0]=3 362 B6R1.2 OC1=CC=NN1 MCULE-9109008036 [1,0,0,0,0,0|1,0,1]=3 363 B6R1.2 OC1=CN=CS1 MCULE-4004908551 [1,0,0,0,0,0|3,0,0]=4 364 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [1,0,0,0,0,0|2,0,1]=4 365 B6R1.2 OC1=CSC=C1 MCULE-2226095386 [1,0,0,0,0,0|1,0,1]=3 366 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [1,0,0,0,0,0|0,1,2]=4 367 B6R1.2 OC1=NSN=C1 MCULE-1499049623 [1,0,0,0,0,0|1,0,2]=4 368 B6R1.2 ON1C=CC=N1 MCULE-8533909959 [1,0,0,0,0,0|2,0,0]=3 369 B6R1.2 S=C1NC=CO1 MCULE-6706918798 [1,0,0,0,0,0|2,1,0]=4 370 B6R1.2 S=C1SC=CS1 MCULE-7239273248 [1,0,0,0,0,0|3,0,0]=4 371 B6R1.2 SC1=CC=CS1 MCULE-8882266878 [1,0,0,0,0,0|2,0,0]=3 372 B6R1.2 SC1=CN=NN1 MCULE-3655107232 [1,0,0,0,0,0|2,1,0]=4 373 B6R1.2 SC1=CSC=C1 MCULE-8930005512 [1,0,0,0,0,0|1,1,0]=3 374 B6R1.2 SC1=NC=CN1 MCULE-1550904171 [1,0,0,0,0,0|2,1,0]=4 375 B6R1.2 SC1=NC=CS1 MCULE-4142949987 [1,0,0,0,0,0|3,0,0]=4 376 B6R1.2 [Li]C1C=CC=C1 MCULE-1100709751 [1,0,0,0,0,0|3,0,0]=4 377 B6R1.2 [S-]C1=CN=NN1 MCULE-9079805829 [1,0,0,0,0,0|2,1,0]=4 378 B6R1.2 [TlH2]C1=CC=CC1 MCULE-7402896981 [1,0,0,0,0,0|3,0,0]=4 379 B8R1.11 BrCC1=C(C=NS1)Br MCULE-5500782827 [0,1,0,0,0,0|3,0,0]=4 380 B8R1.11 BrCC1=C(SC=C1)Br MCULE-9300820867 [0,1,0,0,0,0|3,0,0]=4 381 B8R1.11 C#CC1=C(C=CS1)Br MCULE-7694526857 [0,1,0,0,0,0|2,0,1]=4 382 B8R1.11 C#CC1=C(C=CS1)C MCULE-5460311965 [0,1,0,0,0,0|2,0,1]=4 383 B8R1.11 C#CC1=CC=NN1C MCULE-3200365770 [0,1,0,0,0,0|2,0,0]=3 384 B8R1.11 C#CC1=CN=CN1C MCULE-3829357175 [0,1,0,0,0,0|3,0,0]=4 385 B8R1.11 C#CC1=CN=NN1C MCULE-1226911061 [0,1,0,0,0,0|3,0,0]=4 386 B8R1.11 C#CC1=NC=CN1C MCULE-3558072894 [0,1,0,0,0,0|3,0,0]=4 387 B8R1.11 C(=O)C1=CNN=C1C MCULE-3491224580 [0,1,0,0,0,0|3,0,0]=4 388 B8R1.11 C=CC1=CC=CN1C MCULE-1492192424 [0,1,0,0,0,0|2,0,0]=3 389 B8R1.11 C=CC1=NC=CN1C MCULE-3539850015 [0,1,0,0,0,0|3,0,0]=4 390 B8R1.11 C=CN1C=CC=C1C MCULE-6322835558 [0,1,0,0,0,0|2,0,1]=4 391 B8R1.11 CC1=C(C=CN1)C#N MCULE-2798887312 [0,1,0,0,0,0|3,0,0]=4 392 B8R1.11 CC1=C(C=CO1)C#N MCULE-6190638754 [0,1,0,0,0,0|2,1,0]=4 393 B8R1.11 CC1=C(C=CO1)C=O MCULE-3756016050 [0,1,0,0,0,0|1,1,0]=3 394 B8R1.11 CC1=C(C=CO1)CN MCULE-5251282165 [0,1,0,0,0,0|2,1,0]=4 395 B8R1.11 CC1=C(C=CO1)CO MCULE-7321265649 [0,1,0,0,0,0|1,1,1]=4 396 B8R1.11 CC1=C(C=CS1)C=O MCULE-6448646967 [0,1,0,0,0,0|1,0,0]=2 397 B8R1.11 CC1=C(C=NO1)C=O MCULE-4524941364 [0,1,0,0,0,0|2,1,0]=4 398 B8R1.11 CC1=C(C=NS1)C=O MCULE-6399882085 [0,1,0,0,0,0|2,0,0]=3 399 B8R1.11 CC1=C(N=CO1)C=O MCULE-1584044606 [0,1,0,0,0,0|2,1,0]=4 400 B8R1.11 CC1=C(N=CS1)C=O MCULE-9248010365 [0,1,0,0,0,0|2,0,0]=3 401 B8R1.11 CC1=C(N=CS1)CCl MCULE-3214164077 [0,1,0,0,0,0|3,0,0]=4 402 B8R1.11 CC1=C(N=CS1)CCl MCULE-3245244162 [0,1,0,0,0,0|3,0,0]=4 403 B8R1.11 CC1=C(N=CS1)CO MCULE-2982672518 [0,1,0,0,0,0|2,0,1]=4 404 B8R1.11 CC1=C(N=CS1)CO MCULE-4568550982 [0,1,0,0,0,0|2,0,1]=4 405 B8R1.11 CC1=C(NC=C1)C=O MCULE-5439756968 [0,1,0,0,0,0|3,0,0]=4 406 B8R1.11 CC1=C(NC=N1)C=O MCULE-6500436461 [0,1,0,0,0,0|3,0,0]=4 407 B8R1.11 CC1=C(OC=C1)C=O MCULE-1514039689 [0,1,0,0,0,0|3,0,0]=4 408 B8R1.11 CC1=C(OC=C1)CN MCULE-2352949047 [0,1,0,0,0,0|2,1,0]=4 409 B8R1.11 CC1=C(OC=C1)CO MCULE-9104455772 [0,1,0,0,0,0|2,1,0]=4 410 B8R1.11 CC1=C(OC=C1)CS MCULE-7578747384 [0,1,0,0,0,0|2,1,0]=4 411 B8R1.11 CC1=C(OC=N1)C=O MCULE-7950633787 [0,1,0,0,0,0|3,0,0]=4 412 B8R1.11 CC1=C(SC=C1)C#N MCULE-4382080949 [0,1,0,0,0,0|2,0,1]=4 413 B8R1.11 CC1=C(SC=C1)C=O MCULE-6154045034 [0,1,0,0,0,0|2,0,1]=4 414 B8R1.11 CC1=C(SC=C1)CBr MCULE-2931813517 [0,1,0,0,0,0|2,0,0]=3 415 B8R1.11 CC1=C(SC=C1)CCl MCULE-4483197056 [0,1,0,0,0,0|2,0,0]=3 416 B8R1.11 CC1=C(SC=C1)CN MCULE-1604454057 [0,1,0,0,0,0|2,0,0]=3 417 B8R1.11 CC1=C(SC=C1)CN MCULE-2693055075 [0,1,0,0,0,0|2,0,0]=3 418 B8R1.11 CC1=C(SC=C1)CO MCULE-6139465194 [0,1,0,0,0,0|2,0,0]=3 419 B8R1.11 CC1=C(SC=N1)C=O MCULE-3001345213 [0,1,0,0,0,0|3,0,0]=4 420 B8R1.11 CC1=C(SC=N1)CBr MCULE-4798729225 [0,1,0,0,0,0|3,0,0]=4 421 B8R1.11 CC1=C(SC=N1)CBr MCULE-8676977457 [0,1,0,0,0,0|3,0,0]=4 422 B8R1.11 CC1=C(SC=N1)CCl MCULE-3210671264 [0,1,0,0,0,0|3,0,0]=4 423 B8R1.11 CC1=C(SC=N1)CCl MCULE-8775106373 [0,1,0,0,0,0|3,0,0]=4 424 B8R1.11 CC1=C(SC=N1)CN MCULE-1930242587 [0,1,0,0,0,0|3,0,0]=4 425 B8R1.11 CC1=C(SC=N1)CN MCULE-5944671149 [0,1,0,0,0,0|3,0,0]=4 426 B8R1.11 CC1=C(SC=N1)CO MCULE-1920274475 [0,1,0,0,0,0|3,0,0]=4 427 B8R1.11 CC1=CSC=C1C=O MCULE-5921118381 [0,1,0,0,0,0|3,0,0]=4 428 B8R1.11 CC1=NNC=C1C=O MCULE-4695510996 [0,1,0,0,0,0|3,0,0]=4 429 B8R1.11 CC1=NOC=C1C=O MCULE-7737800065 [0,1,0,0,0,0|3,0,0]=4 430 B8R1.11 CC1=NSC=C1C=O MCULE-6060853192 [0,1,0,0,0,0|3,0,0]=4 431 B8R1.11 CCC1=C(N=CS1)C MCULE-8495277849 [0,1,0,0,0,0|3,0,0]=4 432 B8R1.11 CCC1=C(SC=C1)Br MCULE-6065514127 [0,1,0,0,0,0|3,0,0]=4 433 B8R1.11 CCC1=C(SC=C1)Cl MCULE-6157414652 [0,1,0,0,0,0|3,0,0]=4 434 B8R1.11 CCC1=C(SC=C1)N MCULE-4451604839 [0,1,0,0,0,0|3,0,0]=4 435 B8R1.11 CCC1=CC=CN1N MCULE-3219316456 [0,1,0,0,0,0|3,0,0]=4 436 B8R1.11 CCC1=CC=NN1C MCULE-6807072345 [0,1,0,0,0,0|2,0,0]=3 437 B8R1.11 CCC1=CN=CN1C MCULE-6470580705 [0,1,0,0,0,0|3,0,0]=4 438 B8R1.11 CCN1C=CN=C1Br MCULE-1274110254 [0,1,0,0,0,0|3,0,0]=4 439 B8R1.11 CCN1C=CN=C1Br MCULE-9017123039 [0,1,0,0,0,0|3,0,0]=4 440 B8R1.11 CCN1C=CN=C1C MCULE-5943654351 [0,1,0,0,0,0|3,0,0]=4 441 B8R1.11 CCN1C=CN=C1Cl MCULE-9748144212 [0,1,0,0,0,0|3,0,0]=4 442 B8R1.11 CCN1C=CN=C1N MCULE-3212193688 [0,1,0,0,0,0|3,0,0]=4 443 B8R1.11 CCN1C=CN=C1S MCULE-2490185112 [0,1,0,0,0,0|2,1,0]=4 444 B8R1.11 CCN1C=CNC1=O MCULE-8501991406 [0,1,0,0,0,0|2,0,0]=3 445 B8R1.11 CCN1C=CSC1=N MCULE-1692207080 [0,1,0,0,0,0|3,0,0]=4 446 B8R1.11 CCN1C=CSC1=[NH2+] MCULE-2182604989 [0,1,0,0,0,0|3,0,0]=4 447 B8R1.11 CCN1C=NC=C1Br MCULE-2316890689 [0,1,0,0,0,0|3,0,0]=4 448 B8R1.11 CCN1C=NC=C1C MCULE-5010495596 [0,1,0,0,0,0|3,0,0]=4 449 B8R1.11 CCN1C=NC=C1N MCULE-9864212110 [0,1,0,0,0,0|3,0,0]=4 450 B8R1.11 CCN1CCCC1=O MCULE-7206309773 [0,1,0,0,0,0|1,0,2]=4 451 B8R1.11 CCN1CCCC1=O MCULE-7415495937 [0,1,0,0,0,0|1,0,2]=4 452 B8R1.11 CCN1CCNC1=O MCULE-8168665695 [0,1,0,0,0,0|2,0,1]=4 453 B8R1.11 CCN1CNCC1=O MCULE-2327338525 [0,1,0,0,0,0|2,0,1]=4 454 B8R1.11 CCN1N=CC=C1Br MCULE-7634952399 [0,1,0,0,0,0|2,0,0]=3 455 B8R1.11 CCN1N=CC=C1C MCULE-7029406332 [0,1,0,0,0,0|2,0,0]=3 456 B8R1.11 CCN1N=CC=C1Cl MCULE-4400959295 [0,1,0,0,0,0|2,0,0]=3 457 B8R1.11 CCN1N=CC=C1F MCULE-2790230181 [0,1,0,0,0,0|2,0,0]=3 458 B8R1.11 CCN1N=CC=C1I MCULE-7507084372 [0,1,0,0,0,0|2,0,0]=3 459 B8R1.11 CCN1N=CC=C1N MCULE-1134329761 [0,1,0,0,0,0|2,0,0]=3 460 B8R1.11 CCN1N=CC=C1O MCULE-9331211869 [0,1,0,0,0,0|1,0,1]=3 461 B8R1.11 CCN1N=CN=C1Br MCULE-7013239879 [0,1,0,0,0,0|3,0,0]=4 462 B8R1.11 CCN1N=CN=C1Cl MCULE-3246091716 [0,1,0,0,0,0|3,0,0]=4 463 B8R1.11 CCN1N=CN=C1N MCULE-3411588431 [0,1,0,0,0,0|3,0,0]=4 464 B8R1.11 CCN1N=CN=C1N MCULE-9397199264 [0,1,0,0,0,0|3,0,0]=4 465 B8R1.11 CCN1N=NC=C1N MCULE-4417840973 [0,1,0,0,0,0|3,0,0]=4 466 B8R1.11 CCN1N=NNC1=O MCULE-2824266215 [0,1,0,0,0,0|3,0,0]=4 467 B8R1.11 CC[N+]1=CC=CN1C MCULE-1689563914 [0,1,0,0,0,0|3,0,0]=4 468 B8R1.11 CC[N+]1=CC=CN1C MCULE-9049653056 [0,1,0,0,0,0|3,0,0]=4 469 B8R1.11 CN1C=CC=C1C#N MCULE-9047519312 [0,1,0,0,0,0|2,0,0]=3 470 B8R1.11 CN1C=CC=C1C=O MCULE-6257317045 [0,1,0,0,0,0|1,0,0]=2 471 B8R1.11 CN1C=CC=C1CN MCULE-4666453025 [0,1,0,0,0,0|2,0,0]=3 472 B8R1.11 CN1C=CC=C1CN MCULE-4973656166 [0,1,0,0,0,0|2,0,0]=3 473 B8R1.11 CN1C=CC=C1CO MCULE-7568721522 [0,1,0,0,0,0|1,0,1]=3 474 B8R1.11 CN1C=CC=C1CS MCULE-9744329447 [0,1,0,0,0,0|1,1,0]=3 475 B8R1.11 CN1C=CN=C1C#N MCULE-9622282021 [0,1,0,0,0,0|3,0,0]=4 476 B8R1.11 CN1C=CN=C1C=O MCULE-3406557183 [0,1,0,0,0,0|2,0,0]=3 477 B8R1.11 CN1C=CN=C1CBr MCULE-1606863497 [0,1,0,0,0,0|3,0,0]=4 478 B8R1.11 CN1C=CN=C1CBr MCULE-3791371917 [0,1,0,0,0,0|3,0,0]=4 479 B8R1.11 CN1C=CN=C1CCl MCULE-2096210393 [0,1,0,0,0,0|3,0,0]=4 480 B8R1.11 CN1C=CN=C1CCl MCULE-4644001974 [0,1,0,0,0,0|3,0,0]=4 481 B8R1.11 CN1C=CN=C1CF MCULE-5152424044 [0,1,0,0,0,0|3,0,0]=4 482 B8R1.11 CN1C=CN=C1CN MCULE-1068444430 [0,1,0,0,0,0|3,0,0]=4 483 B8R1.11 CN1C=CN=C1CN MCULE-5728098333 [0,1,0,0,0,0|3,0,0]=4 484 B8R1.11 CN1C=CN=C1CN MCULE-8497707863 [0,1,0,0,0,0|3,0,0]=4 485 B8R1.11 CN1C=CN=C1CO MCULE-1521474900 [0,1,0,0,0,0|2,0,1]=4 486 B8R1.11 CN1C=CN=C1CO MCULE-8693266867 [0,1,0,0,0,0|2,0,1]=4 487 B8R1.11 CN1C=CN=C1NN MCULE-1446931168 [0,1,0,0,0,0|3,0,0]=4 488 B8R1.11 CN1C=CN=C1NN MCULE-9734496587 [0,1,0,0,0,0|3,0,0]=4 489 B8R1.11 CN1C=NC=C1C#N MCULE-7099795072 [0,1,0,0,0,0|3,0,0]=4 490 B8R1.11 CN1C=NC=C1C=O MCULE-4444133297 [0,1,0,0,0,0|2,0,0]=3 491 B8R1.11 CN1C=NC=C1CBr MCULE-6977095298 [0,1,0,0,0,0|3,0,0]=4 492 B8R1.11 CN1C=NC=C1CBr MCULE-7160138849 [0,1,0,0,0,0|3,0,0]=4 493 B8R1.11 CN1C=NC=C1CCl MCULE-2888755882 [0,1,0,0,0,0|3,0,0]=4 494 B8R1.11 CN1C=NC=C1CCl MCULE-7855648270 [0,1,0,0,0,0|3,0,0]=4 495 B8R1.11 CN1C=NC=C1CN MCULE-4392851314 [0,1,0,0,0,0|3,0,0]=4 496 B8R1.11 CN1C=NC=C1CN MCULE-6611106164 [0,1,0,0,0,0|3,0,0]=4 497 B8R1.11 CN1C=NC=C1CO MCULE-5142443406 [0,1,0,0,0,0|2,0,1]=4 498 B8R1.11 CN1C=NN=C1C=O MCULE-2119595659 [0,1,0,0,0,0|3,0,0]=4 499 B8R1.11 CN1N=CC=C1C#N MCULE-5136985282 [0,1,0,0,0,0|2,0,0]=3 500 B8R1.11 CN1N=CC=C1C=O MCULE-9719887404 [0,1,0,0,0,0|1,0,0]=2 501 B8R1.11 CN1N=CC=C1CBr MCULE-4129953668 [0,1,0,0,0,0|2,0,0]=3 502 B8R1.11 CN1N=CC=C1CBr MCULE-7492713849 [0,1,0,0,0,0|2,0,0]=3 503 B8R1.11 CN1N=CC=C1CCl MCULE-5247429045 [0,1,0,0,0,0|2,0,0]=3 504 B8R1.11 CN1N=CC=C1CCl MCULE-9542093776 [0,1,0,0,0,0|2,0,0]=3 505 B8R1.11 CN1N=CC=C1CN MCULE-5856130402 [0,1,0,0,0,0|2,0,0]=3 506 B8R1.11 CN1N=CC=C1CN MCULE-8887654915 [0,1,0,0,0,0|2,0,0]=3 507 B8R1.11 CN1N=CC=C1CN MCULE-9794344954 [0,1,0,0,0,0|2,0,0]=3 508 B8R1.11 CN1N=CC=C1CO MCULE-7385621229 [0,1,0,0,0,0|1,0,1]=3 509 B8R1.11 CN1N=CC=C1NN MCULE-4581577077 [0,1,0,0,0,0|2,0,0]=3 510 B8R1.11 CN1N=CC=C1NN MCULE-9982055938 [0,1,0,0,0,0|2,0,0]=3 511 B8R1.11 CN1N=CN=C1C=O MCULE-9297044077 [0,1,0,0,0,0|2,0,0]=3 512 B8R1.11 CN1N=CN=C1CCl MCULE-7287799731 [0,1,0,0,0,0|3,0,0]=4 513 B8R1.11 CN1N=CN=C1CCl MCULE-7294971434 [0,1,0,0,0,0|3,0,0]=4 514 B8R1.11 CN1N=CN=C1CN MCULE-3853182879 [0,1,0,0,0,0|3,0,0]=4 515 B8R1.11 CN1N=CN=C1CN MCULE-7770560799 [0,1,0,0,0,0|3,0,0]=4 516 B8R1.11 CN1N=CN=C1CO MCULE-2017582109 [0,1,0,0,0,0|2,0,1]=4 517 B8R1.11 CN1N=CN=C1CO MCULE-7193467896 [0,1,0,0,0,0|2,0,1]=4 518 B8R1.11 CN1N=CN=C1NN MCULE-2131785227 [0,1,0,0,0,0|3,0,0]=4 519 B8R1.11 CN1N=CN=C1NN MCULE-3415033210 [0,1,0,0,0,0|3,0,0]=4 520 B8R1.11 CN1N=CN=C1NN MCULE-9531948967 [0,1,0,0,0,0|3,0,0]=4 521 B8R1.11 CN1N=NC=C1C=O MCULE-9536514607 [0,1,0,0,0,0|2,0,0]=3 522 B8R1.11 CN1N=NC=C1CCl MCULE-4413109848 [0,1,0,0,0,0|3,0,0]=4 523 B8R1.11 CN1N=NC=C1CCl MCULE-6594699922 [0,1,0,0,0,0|3,0,0]=4 524 B8R1.11 CN1N=NC=C1CN MCULE-7615956368 [0,1,0,0,0,0|3,0,0]=4 525 B8R1.11 CN1N=NC=C1CN MCULE-8129788264 [0,1,0,0,0,0|3,0,0]=4 526 B8R1.11 CN1N=NC=C1CO MCULE-5610976028 [0,1,0,0,0,0|2,0,1]=4 527 B8R1.11 CN1N=NC=C1NN MCULE-2117511244 [0,1,0,0,0,0|3,0,0]=4 528 B8R1.11 CN1N=NC=C1NN MCULE-8805100404 [0,1,0,0,0,0|3,0,0]=4 529 B8R1.11 CN1N=NN=C1C=O MCULE-3539651419 [0,1,0,0,0,0|3,0,0]=4 530 B8R1.11 CNC1=C(C=CS1)N MCULE-5988461747 [0,1,0,0,0,0|2,0,0]=3 531 B8R1.11 CNC1=CC=NN1C MCULE-8844218812 [0,1,0,0,0,0|2,0,0]=3 532 B8R1.11 CNC1=CC=NN1C MCULE-9610370229 [0,1,0,0,0,0|2,0,0]=3 533 B8R1.11 CNC1=CN=CN1C MCULE-7520502977 [0,1,0,0,0,0|3,0,0]=4 534 B8R1.11 CNC1=CN=CN1C MCULE-9429025763 [0,1,0,0,0,0|3,0,0]=4 535 B8R1.11 CNC1=NC=CN1C MCULE-5916847250 [0,1,0,0,0,0|3,0,0]=4 536 B8R1.11 CNC1=NC=CN1C MCULE-6174156572 [0,1,0,0,0,0|3,0,0]=4 537 B8R1.11 COC1=C(C=CS1)Br MCULE-7222042449 [0,1,0,0,0,0|2,0,0]=3 538 B8R1.11 COC1=C(C=CS1)N MCULE-9226565552 [0,1,0,0,0,0|2,0,0]=3 539 B8R1.11 COC1=C(SC=C1)I MCULE-5410446535 [0,1,0,0,0,0|2,0,1]=4 540 B8R1.11 COC1=CC=NN1C MCULE-5146324715 [0,1,0,0,0,0|1,0,1]=3 541 B8R1.11 CSC1=C(C=CS1)Br MCULE-4497741578 [0,1,0,0,0,0|2,0,0]=3 542 B8R1.11 CSC1=C(C=CS1)C MCULE-9004032312 [0,1,0,0,0,0|2,0,0]=3 543 B8R1.11 CSC1=C(C=CS1)I MCULE-7506712333 [0,1,0,0,0,0|2,0,0]=3 544 B8R1.11 CSC1=C(OC=C1)C MCULE-7593219687 [0,1,0,0,0,0|1,2,0]=4 545 B8R1.11 CSC1=CC=NN1C MCULE-7327510189 [0,1,0,0,0,0|1,1,0]=3 546 B8R1.11 CSC1=NC=CN1C MCULE-4558685381 [0,1,0,0,0,0|2,1,0]=4 547 B8R1.11 ClC1=C(C=CS1)CBr MCULE-9238260496 [0,1,0,0,0,0|3,0,0]=4 548 B8R1.11 ClC1=C(SC=N1)CBr MCULE-2759709927 [0,1,0,0,0,0|3,0,0]=4 549 B8R1.11 ClC1=C(SC=N1)CBr MCULE-8831062409 [0,1,0,0,0,0|3,0,0]=4 550 B8R1.11 ClCC1=C(C=CS1)Br MCULE-1964656883 [0,1,0,0,0,0|2,0,0]=3 551 B8R1.11 ClCC1=C(C=CS1)Cl MCULE-4671484303 [0,1,0,0,0,0|2,0,0]=3 552 B8R1.11 ClCC1=C(SC=C1)Cl MCULE-9873548809 [0,1,0,0,0,0|3,0,0]=4 553 B8R1.11 N#CC1=C(C=CS1)Br MCULE-2659338573 [0,1,0,0,0,0|2,0,1]=4 554 B8R1.11 N#CC1=C(C=CS1)Cl MCULE-7163942757 [0,1,0,0,0,0|2,0,1]=4 555 B8R1.11 N#CC1=C(C=CS1)F MCULE-1309396537 [0,1,0,0,0,0|2,0,1]=4 556 B8R1.11 N#CC1=C(C=CS1)N MCULE-1937039825 [0,1,0,0,0,0|2,0,1]=4 557 B8R1.11 N#CC1=C(C=CS1)N MCULE-3270746146 [0,1,0,0,0,0|2,0,1]=4 558 B8R1.11 N#CC1=C(SC=C1)Br MCULE-8356814547 [0,1,0,0,0,0|3,0,0]=4 559 B8R1.11 N#CC1=C(SC=C1)Cl MCULE-8905596735 [0,1,0,0,0,0|3,0,0]=4 560 B8R1.11 N#CC1=C(SC=C1)N MCULE-2091811055 [0,1,0,0,0,0|3,0,0]=4 561 B8R1.11 N#CC1=CC=CN1N MCULE-7348141206 [0,1,0,0,0,0|3,0,0]=4 562 B8R1.11 N#CC1=CC=CN1N MCULE-8247673407 [0,1,0,0,0,0|3,0,0]=4 563 B8R1.11 NC1=C(SC=C1)C=O MCULE-1516736026 [0,1,0,0,0,0|2,0,1]=4 564 B8R1.11 NC1=C(SC=C1)CO MCULE-6189940771 [0,1,0,0,0,0|2,0,0]=3 565 B8R1.11 NCC1=C(C=CS1)Br MCULE-2292248434 [0,1,0,0,0,0|2,0,0]=3 566 B8R1.11 NCC1=C(C=CS1)Br MCULE-6890580302 [0,1,0,0,0,0|2,0,0]=3 567 B8R1.11 NCC1=C(C=CS1)Cl MCULE-3009379161 [0,1,0,0,0,0|2,0,0]=3 568 B8R1.11 NCC1=C(C=CS1)Cl MCULE-9513358236 [0,1,0,0,0,0|2,0,0]=3 569 B8R1.11 NCC1=C(C=CS1)F MCULE-3943187647 [0,1,0,0,0,0|2,0,0]=3 570 B8R1.11 NCC1=C(C=CS1)F MCULE-6189439837 [0,1,0,0,0,0|2,0,0]=3 571 B8R1.11 NCC1=C(C=NS1)Br MCULE-1895736152 [0,1,0,0,0,0|3,0,0]=4 572 B8R1.11 NCC1=C(C=NS1)Br MCULE-3082860472 [0,1,0,0,0,0|3,0,0]=4 573 B8R1.11 NCC1=C(SC=C1)Br MCULE-4839650292 [0,1,0,0,0,0|3,0,0]=4 574 B8R1.11 NCC1=C(SC=C1)Br MCULE-7473289869 [0,1,0,0,0,0|3,0,0]=4 575 B8R1.11 O=C1CCCN1CBr MCULE-1337183945 [0,1,0,0,0,0|1,0,2]=4 576 B8R1.11 O=C1CCCN1CCl MCULE-6204630639 [0,1,0,0,0,0|1,0,2]=4 577 B8R1.11 O=C1CCCN1CO MCULE-6508920438 [0,1,0,0,0,0|1,0,2]=4 578 B8R1.11 O=C1CNCN1CO MCULE-1880077159 [0,1,0,0,0,0|2,0,1]=4 579 B8R1.11 O=C1CNCN1CO MCULE-4265247225 [0,1,0,0,0,0|2,0,1]=4 580 B8R1.11 O=CC1=C(C=CS1)Br MCULE-9874120218 [0,1,0,0,0,0|2,0,1]=4 581 B8R1.11 O=CC1=C(C=CS1)Cl MCULE-1094634631 [0,1,0,0,0,0|2,0,1]=4 582 B8R1.11 O=CC1=C(C=CS1)F MCULE-2820167115 [0,1,0,0,0,0|2,0,1]=4 583 B8R1.11 O=CC1=C(C=CS1)I MCULE-4460021376 [0,1,0,0,0,0|2,0,1]=4 584 B8R1.11 O=CC1=C(OC=C1)Br MCULE-2063545242 [0,1,0,0,0,0|2,1,0]=4 585 B8R1.11 O=CC1=C(SC=C1)Br MCULE-6013911317 [0,1,0,0,0,0|2,0,0]=3 586 B8R1.11 O=CC1=C(SC=C1)Cl MCULE-6708957327 [0,1,0,0,0,0|2,0,0]=3 587 B8R1.11 O=CC1=C(SC=C1)I MCULE-7857037884 [0,1,0,0,0,0|2,0,0]=3 588 B8R1.11 O=CC1=C(SC=N1)Br MCULE-4591703506 [0,1,0,0,0,0|3,0,0]=4 589 B8R1.11 OCC1=C(C=CS1)Br MCULE-3425296121 [0,1,0,0,0,0|2,0,0]=3 590 B8R1.11 OCC1=C(C=CS1)Cl MCULE-5949360230 [0,1,0,0,0,0|2,0,0]=3 591 B8R1.11 OCC1=C(C=NS1)Br MCULE-3435322372 [0,1,0,0,0,0|3,0,0]=4 592 B8R1.11 OCC1=C(N=CS1)Br MCULE-5444018844 [0,1,0,0,0,0|3,0,0]=4 593 B8R1.11 OCC1=C(N=CS1)Cl MCULE-1047667255 [0,1,0,0,0,0|3,0,0]=4 594 B8R1.11 OCC1=C(SC=C1)Br MCULE-9049690302 [0,1,0,0,0,0|2,0,1]=4 595 B8R1.11 OCC1=C(SC=C1)Cl MCULE-2378932350 [0,1,0,0,0,0|2,0,1]=4 596 B8R1.18 BrC1=C(C=C(S1)I)I MCULE-8742379196 [0,1,0,0,0,0|3,0,0]=4 597 B8R1.18 BrC1=CC(=C(S1)Br)Br MCULE-9128566099 [0,1,0,0,0,0|3,0,0]=4 598 B8R1.18 BrC1=CC(=C(S1)I)Br MCULE-8807651081 [0,1,0,0,0,0|3,0,0]=4 599 B8R1.18 BrC1=CC(=C(S1)I)I MCULE-2121711762 [0,1,0,0,0,0|3,0,0]=4 600 B8R1.18 CC1=C(C=C(S1)Br)Br MCULE-4995725030 [0,1,0,0,0,0|2,0,0]=3 601 B8R1.18 CC1=C(C=C(S1)Br)N MCULE-2952535718 [0,1,0,0,0,0|2,0,0]=3 602 B8R1.18 CC1=C(C=C(S1)Cl)Br MCULE-8972038455 [0,1,0,0,0,0|2,0,0]=3 603 B8R1.18 CC1=C(C=C(S1)Cl)I MCULE-4408481995 [0,1,0,0,0,0|2,0,0]=3 604 B8R1.18 CC1=C(C=C(S1)I)Br MCULE-6093983254 [0,1,0,0,0,0|2,0,0]=3 605 B8R1.18 CC1=C(N=C(S1)Br)Br MCULE-2394772958 [0,1,0,0,0,0|3,0,0]=4 606 B8R1.18 CC1=C(N=C(S1)Br)N MCULE-3546154761 [0,1,0,0,0,0|3,0,0]=4 607 B8R1.18 CC1=C(N=C(S1)Br)N MCULE-5676256407 [0,1,0,0,0,0|3,0,0]=4 608 B8R1.18 CC1=C(N=C(S1)Cl)Br MCULE-8362128231 [0,1,0,0,0,0|3,0,0]=4 609 B8R1.18 CC1=C(N=C(S1)Cl)Cl MCULE-3035948496 [0,1,0,0,0,0|3,0,0]=4 610 B8R1.18 CC1=C(N=C(S1)N)Br MCULE-2999589737 [0,1,0,0,0,0|3,0,0]=4 611 B8R1.18 CC1=C(N=C(S1)N)N MCULE-9776464870 [0,1,0,0,0,0|3,0,0]=4 612 B8R1.18 CC1=C(N=C(S1)N)O MCULE-6644384383 [0,1,0,0,0,0|2,0,1]=4 613 B8R1.18 CC1=C(SC(=C1)Br)Br MCULE-5033111646 [0,1,0,0,0,0|3,0,0]=4 614 B8R1.18 CC1=C(SC(=C1)Br)C MCULE-3189312546 [0,1,0,0,0,0|2,0,0]=3 615 B8R1.18 CC1=C(SC(=C1)Br)N MCULE-6141225156 [0,1,0,0,0,0|3,0,0]=4 616 B8R1.18 CC1=C(SC(=C1)Cl)Br MCULE-9089345119 [0,1,0,0,0,0|3,0,0]=4 617 B8R1.18 CC1=C(SC(=C1)Cl)Cl MCULE-2742915588 [0,1,0,0,0,0|3,0,0]=4 618 B8R1.18 CC1=C(SC(=C1)I)Cl MCULE-7370492708 [0,1,0,0,0,0|3,0,0]=4 619 B8R1.18 CC1=C(SC(=N1)Br)C MCULE-5594335376 [0,1,0,0,0,0|3,0,0]=4 620 B8R1.18 CC1=C(SC(=N1)Br)C MCULE-8791921491 [0,1,0,0,0,0|3,0,0]=4 621 B8R1.18 CC1=C(SC(=N1)Cl)C MCULE-1979913603 [0,1,0,0,0,0|3,0,0]=4 622 B8R1.18 CC1=C(SC(=N1)N)C MCULE-1396918568 [0,1,0,0,0,0|3,0,0]=4 623 B8R1.18 CC1=C(SC(=N1)N)C MCULE-4575976320 [0,1,0,0,0,0|3,0,0]=4 624 B8R1.18 CC1=C(SC(=N1)N)C MCULE-5043621594 [0,1,0,0,0,0|3,0,0]=4 625 B8R1.18 CC1=C(SC(=N1)S)C MCULE-1602708273 [0,1,0,0,0,0|3,0,0]=4 626 B8R1.18 CC1=C(SC(=O)N1)C MCULE-3147831549 [0,1,0,0,0,0|3,0,0]=4 627 B8R1.18 CC1=C(SC(=S)S1)C MCULE-8704362738 [0,1,0,0,0,0|3,0,0]=4 628 B8R1.18 CC1=C(SC(=[Se])S1)C MCULE-7941914338 [0,1,0,0,0,0|3,0,0]=4 629 B8R1.18 CC1=CC(=C(N1)C)Br MCULE-6941290548 [0,1,0,0,0,0|3,0,0]=4 630 B8R1.18 CC1=CC(=C(O1)C)C MCULE-4079062433 [0,1,0,0,0,0|2,1,0]=4 631 B8R1.18 CC1=CC(=C(O1)C)N MCULE-1778849195 [0,1,0,0,0,0|2,1,0]=4 632 B8R1.18 CC1=CC(=C(O1)C)S MCULE-9143219265 [0,1,0,0,0,0|1,2,0]=4 633 B8R1.18 CC1=CC(=C(S1)Br)C MCULE-6382980397 [0,1,0,0,0,0|3,0,0]=4 634 B8R1.18 CC1=CC(=C(S1)C)Br MCULE-8084712017 [0,1,0,0,0,0|2,0,0]=3 635 B8R1.18 CC1=CC(=C(S1)C)C MCULE-5897025132 [0,1,0,0,0,0|2,0,0]=3 636 B8R1.18 CC1=CC(=C(S1)C)I MCULE-2360641619 [0,1,0,0,0,0|2,0,0]=3 637 B8R1.18 CC1=CC(=C(S1)C)N MCULE-1900772181 [0,1,0,0,0,0|2,0,0]=3 638 B8R1.18 CC1=CC(=C(S1)C)N MCULE-7331939624 [0,1,0,0,0,0|2,0,0]=3 639 B8R1.18 CC1=CC(=NN1C)Br MCULE-1257507981 [0,1,0,0,0,0|2,0,0]=3 640 B8R1.18 CC1=CC(=NN1C)C MCULE-1448165985 [0,1,0,0,0,0|2,0,0]=3 641 B8R1.18 CC1=CC(=NN1C)Cl MCULE-7510550347 [0,1,0,0,0,0|2,0,0]=3 642 B8R1.18 CC1=CC(=NN1C)I MCULE-9662512319 [0,1,0,0,0,0|2,0,0]=3 643 B8R1.18 CC1=CC(=NN1C)N MCULE-2964274557 [0,1,0,0,0,0|2,0,0]=3 644 B8R1.18 CC1=CC(=NN1C)N MCULE-7580190703 [0,1,0,0,0,0|2,0,0]=3 645 B8R1.18 CC1=CC(=NN1C)N MCULE-8924336851 [0,1,0,0,0,0|2,0,0]=3 646 B8R1.18 CC1=CC(=O)C(O1)C MCULE-7165152063 [0,1,0,0,0,0|1,1,0]=3 647 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,1,0,0,0,0|3,0,0]=4 648 B8R1.18 CC1=CC(=O)N(N1)C MCULE-5732152928 [0,1,0,0,0,0|1,0,0]=2 649 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,1,0,0,0,0|3,0,0]=4 650 B8R1.18 CC1=CC(=O)NN1C MCULE-4105771613 [0,1,0,0,0,0|2,0,0]=3 651 B8R1.18 CC1=CC(=O)NN1C MCULE-5102421138 [0,1,0,0,0,0|2,0,0]=3 652 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,1,0,0,0,0|3,0,0]=4 653 B8R1.18 CC1=CN(C(=N1)Br)C MCULE-6444314724 [0,1,0,0,0,0|3,0,0]=4 654 B8R1.18 CC1=CN(C(=N1)C)C MCULE-4999984114 [0,1,0,0,0,0|3,0,0]=4 655 B8R1.18 CC1=CN(C(=N1)N)C MCULE-3042190130 [0,1,0,0,0,0|3,0,0]=4 656 B8R1.18 CC1=CN(C(=N1)N)C MCULE-9942914001 [0,1,0,0,0,0|3,0,0]=4 657 B8R1.18 CC1=CN(C(=O)N1)C MCULE-6864157223 [0,1,0,0,0,0|2,0,0]=3 658 B8R1.18 CC1=CN([N+](=C1)C)C MCULE-1754522208 [0,1,0,0,0,0|3,0,0]=4 659 B8R1.18 CC1=CN([N+](=C1)C)C MCULE-7848007837 [0,1,0,0,0,0|3,0,0]=4 660 B8R1.18 CC1=C[N+](=CN1C)C MCULE-2743879769 [0,1,0,0,0,0|3,0,0]=4 661 B8R1.18 CC1=C[N+](=CN1C)C MCULE-5818735535 [0,1,0,0,0,0|3,0,0]=4 662 B8R1.18 CC1=NC(=C(S1)C)Br MCULE-8914789465 [0,1,0,0,0,0|3,0,0]=4 663 B8R1.18 CC1=NC(=C(S1)C)C MCULE-1895758219 [0,1,0,0,0,0|3,0,0]=4 664 B8R1.18 CC1=NC(=CN1C)Br MCULE-9062607980 [0,1,0,0,0,0|3,0,0]=4 665 B8R1.18 CC1=NC(=CN1C)I MCULE-4626296235 [0,1,0,0,0,0|3,0,0]=4 666 B8R1.18 CC1=NC(=CN1C)O MCULE-7502181826 [0,1,0,0,0,0|3,0,0]=4 667 B8R1.18 CC1=NC(=NN1C)Br MCULE-7910255785 [0,1,0,0,0,0|3,0,0]=4 668 B8R1.18 CC1=NC(=NN1C)Cl MCULE-6725477147 [0,1,0,0,0,0|3,0,0]=4 669 B8R1.18 CC1=NC(=NN1C)N MCULE-1364534275 [0,1,0,0,0,0|3,0,0]=4 670 B8R1.18 CC1=NN(C(=C1)Br)C MCULE-3369204750 [0,1,0,0,0,0|2,0,0]=3 671 B8R1.18 CC1=NN(C(=C1)Br)C MCULE-7458539333 [0,1,0,0,0,0|2,0,0]=3 672 B8R1.18 CC1=NN(C(=C1)Br)C MCULE-8200789805 [0,1,0,0,0,0|2,0,0]=3 673 B8R1.18 CC1=NN(C(=C1)Cl)C MCULE-4837583179 [0,1,0,0,0,0|2,0,0]=3 674 B8R1.18 CC1=NN(C(=C1)F)C MCULE-1231365641 [0,1,0,0,0,0|2,0,0]=3 675 B8R1.18 CC1=NN(C(=C1)I)C MCULE-9581043922 [0,1,0,0,0,0|2,0,0]=3 676 B8R1.18 CC1=NN(C(=C1)N)C MCULE-1485381806 [0,1,0,0,0,0|2,0,0]=3 677 B8R1.18 CC1=NN(C(=C1)N)C MCULE-7600082013 [0,1,0,0,0,0|2,0,0]=3 678 B8R1.18 CC1=NN(C(=C1)O)C MCULE-7315212286 [0,1,0,0,0,0|1,0,1]=3 679 B8R1.18 CC1=NN(C(=N1)Br)C MCULE-3326950802 [0,1,0,0,0,0|3,0,0]=4 680 B8R1.18 CC1=NN(C(=N1)Cl)C MCULE-3391912387 [0,1,0,0,0,0|3,0,0]=4 681 B8R1.18 CC1=NN(C(=N1)N)C MCULE-1212278463 [0,1,0,0,0,0|3,0,0]=4 682 B8R1.18 CC1=NN(C(=N1)N)C MCULE-5112094544 [0,1,0,0,0,0|3,0,0]=4 683 B8R1.18 CC1=NN(C(=N1)O)C MCULE-2744905561 [0,1,0,0,0,0|2,0,1]=4 684 B8R1.18 CC1=NN(C(=O)C1)C MCULE-3316902396 [0,1,0,0,0,0|1,0,1]=3 685 B8R1.18 CC1=NN(C(=S)N1)C MCULE-2121193226 [0,1,0,0,0,0|2,1,0]=4 686 B8R1.18 CC1CC(=O)N(C1)C MCULE-2164356802 [0,1,0,0,0,0|1,0,2]=4 687 B8R1.18 CC1CC(=O)N(N1)C MCULE-3951114099 [0,1,0,0,0,0|1,0,2]=4 688 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,0,0,0|3,0,0]=4 689 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,0,0,0|3,0,0]=4 690 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,1,0,0,0,0|2,0,1]=4 691 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,1,0,0,0,0|3,0,0]=4 692 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,1,0,0,0,0|3,0,0]=4 693 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,1,0,0,0,0|3,0,0]=4 694 B8R1.18 CC1NC(=S)NC1=O MCULE-8518769044 [0,1,0,0,0,0|3,0,0]=4 695 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,1,0,0,0,0|1,1,1]=4 696 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,0,0,0|2,1,0]=4 697 B8R1.18 CC1SC(=NC1=O)N MCULE-7605573631 [0,1,0,0,0,0|2,0,0]=3 698 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,1,0,0,0,0|2,0,0]=3 699 B8R1.18 CN1C=C(N=C1Br)Br MCULE-5325422998 [0,1,0,0,0,0|3,0,0]=4 700 B8R1.18 CN1C=C(N=C1I)I MCULE-3155292698 [0,1,0,0,0,0|3,0,0]=4 701 B8R1.18 CN1C=C(N=C1N)Br MCULE-1528062029 [0,1,0,0,0,0|3,0,0]=4 702 B8R1.18 CN1C=C(N=C1N)Br MCULE-7416809181 [0,1,0,0,0,0|3,0,0]=4 703 B8R1.18 CN1C=C(N=C1N)O MCULE-4721677175 [0,1,0,0,0,0|3,0,0]=4 704 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,1,0,0,0,0|1,0,1]=3 705 B8R1.18 CN1CC(=O)N=C1N MCULE-2231869894 [0,1,0,0,0,0|3,0,0]=4 706 B8R1.18 CN1CC(=O)NC1=N MCULE-7608108871 [0,1,0,0,0,0|3,0,0]=4 707 B8R1.18 CN1CC(=O)NC1=N MCULE-8832153777 [0,1,0,0,0,0|3,0,0]=4 708 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,1,0,0,0,0|2,0,0]=3 709 B8R1.18 CN1CC(=O)NC1=S MCULE-6474760923 [0,1,0,0,0,0|2,1,0]=4 710 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,0,0,0|2,0,0]=3 711 B8R1.18 CN1CC(CC1=O)I MCULE-4945824576 [0,1,0,0,0,0|1,0,2]=4 712 B8R1.18 CN1CC(CC1=O)N MCULE-2463085778 [0,1,0,0,0,0|1,0,2]=4 713 B8R1.18 CN1CC(CC1=O)N MCULE-2958084133 [0,1,0,0,0,0|1,0,2]=4 714 B8R1.18 CN1CC(CC1=O)O MCULE-3900359646 [0,1,0,0,0,0|1,0,2]=4 715 B8R1.18 CN1C[C@@H](CC1=O)N MCULE-5898871508 [0,1,0,0,0,0|1,0,2]=4 716 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-6983684031 [0,1,0,0,0,0|1,0,2]=4 717 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-9036883490 [0,1,0,0,0,0|1,0,2]=4 718 B8R1.18 CN1C[C@H](CC1=O)N MCULE-6260844558 [0,1,0,0,0,0|1,0,2]=4 719 B8R1.18 CN1C[C@H](CC1=O)N MCULE-9464195407 [0,1,0,0,0,0|1,0,2]=4 720 B8R1.18 CN1C[C@H](CC1=O)O MCULE-1129246553 [0,1,0,0,0,0|1,0,2]=4 721 B8R1.18 CN1C[C@H](CC1=O)O MCULE-3762455862 [0,1,0,0,0,0|1,0,2]=4 722 B8R1.18 CN1N=C(C=C1Br)Br MCULE-4582890445 [0,1,0,0,0,0|2,0,0]=3 723 B8R1.18 CN1N=C(C=C1Br)F MCULE-4201956871 [0,1,0,0,0,0|2,0,0]=3 724 B8R1.18 CN1N=C(C=C1Br)N MCULE-9334239901 [0,1,0,0,0,0|2,0,0]=3 725 B8R1.18 CN1N=C(C=C1Cl)Br MCULE-2088624925 [0,1,0,0,0,0|2,0,0]=3 726 B8R1.18 CN1N=C(C=C1Cl)N MCULE-6506083345 [0,1,0,0,0,0|2,0,0]=3 727 B8R1.18 CN1N=C(C=C1F)Br MCULE-8082838131 [0,1,0,0,0,0|2,0,0]=3 728 B8R1.18 CN1N=C(C=C1F)I MCULE-3878643283 [0,1,0,0,0,0|2,0,0]=3 729 B8R1.18 CN1N=C(C=C1F)N MCULE-6089387017 [0,1,0,0,0,0|2,0,0]=3 730 B8R1.18 CN1N=C(C=C1F)N MCULE-6709123937 [0,1,0,0,0,0|2,0,0]=3 731 B8R1.18 CN1N=C(C=C1I)N MCULE-5455068119 [0,1,0,0,0,0|2,0,0]=3 732 B8R1.18 CN1N=C(C=C1N)Br MCULE-2184397321 [0,1,0,0,0,0|2,0,0]=3 733 B8R1.18 CN1N=C(C=C1N)Cl MCULE-1204950041 [0,1,0,0,0,0|2,0,0]=3 734 B8R1.18 CN1N=C(C=C1N)Cl MCULE-4647506298 [0,1,0,0,0,0|2,0,0]=3 735 B8R1.18 CN1N=C(C=C1N)Cl MCULE-5503238773 [0,1,0,0,0,0|2,0,0]=3 736 B8R1.18 CN1N=C(C=C1N)I MCULE-1957468733 [0,1,0,0,0,0|2,0,0]=3 737 B8R1.18 CN1N=C(C=C1N)N MCULE-2682592368 [0,1,0,0,0,0|2,0,0]=3 738 B8R1.18 CN1N=C(C=C1N)N MCULE-8305908476 [0,1,0,0,0,0|2,0,0]=3 739 B8R1.18 CN1N=C(C=C1O)N MCULE-1034475402 [0,1,0,0,0,0|1,0,1]=3 740 B8R1.18 CN1N=C(CC1=O)Br MCULE-9723014196 [0,1,0,0,0,0|1,0,1]=3 741 B8R1.18 CN1N=C(N=C1Br)Br MCULE-5170699968 [0,1,0,0,0,0|3,0,0]=4 742 B8R1.18 CN1N=C(N=C1Cl)Cl MCULE-2638223439 [0,1,0,0,0,0|3,0,0]=4 743 B8R1.18 CN1N=C(N=C1N)Br MCULE-3852950287 [0,1,0,0,0,0|3,0,0]=4 744 B8R1.18 CN1N=C(N=C1N)Br MCULE-5870694909 [0,1,0,0,0,0|3,0,0]=4 745 B8R1.18 CN1N=C(N=C1N)Cl MCULE-1134033753 [0,1,0,0,0,0|3,0,0]=4 746 B8R1.18 CN1N=C(N=C1N)Cl MCULE-7197520952 [0,1,0,0,0,0|3,0,0]=4 747 B8R1.18 CN1N=C(N=C1N)N MCULE-1597054058 [0,1,0,0,0,0|3,0,0]=4 748 B8R1.18 CN1N=C(N=C1O)Br MCULE-7310607295 [0,1,0,0,0,0|2,0,1]=4 749 B8R1.18 CN1N=C(NC1=O)Cl MCULE-4149690737 [0,1,0,0,0,0|2,0,0]=3 750 B8R1.18 CN1NC(=CC1=O)N MCULE-9402016986 [0,1,0,0,0,0|1,0,0]=2 751 B8R1.18 CN1NC(=N)CC1=O MCULE-1189353766 [0,1,0,0,0,0|1,0,1]=3 752 B8R1.18 CN1NC(=O)C=C1N MCULE-9124998543 [0,1,0,0,0,0|2,0,0]=3 753 B8R1.18 CN1OC(=CC1=O)N MCULE-9415679355 [0,1,0,0,0,0|0,1,0]=2 754 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [0,1,0,0,0,0|1,1,0]=3 755 B8R1.18 CN1SC(=CC1=O)Cl MCULE-2114948755 [0,1,0,0,0,0|0,0,0]=1 756 B8R1.18 CN1SC(=CC1=O)Cl MCULE-8725009755 [0,1,0,0,0,0|0,0,0]=1 757 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,0,0,0|3,0,0]=4 758 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,1,0,0,0,0|3,0,0]=4 759 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,1,0,0,0,0|3,0,0]=4 760 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,1,0,0,0,0|3,0,0]=4 761 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,0,0,0|3,0,0]=4 762 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,1,0,0,0,0|3,0,0]=4 763 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,1,0,0,0,0|3,0,0]=4 764 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,1,0,0,0,0|3,0,0]=4 765 B8R1.18 ClC1=C(SC(=C1)Br)Cl MCULE-2347503251 [0,1,0,0,0,0|3,0,0]=4 766 B8R1.18 ClC1=C(SC(=C1)I)Br MCULE-6528019813 [0,1,0,0,0,0|3,0,0]=4 767 B8R1.18 ClC1=C(SC(=C1)I)I MCULE-9025268423 [0,1,0,0,0,0|3,0,0]=4 768 B8R1.18 ClC1=CC(=C(S1)Br)Br MCULE-5227980087 [0,1,0,0,0,0|3,0,0]=4 769 B8R1.18 ClC1=CC(=C(S1)Cl)Br MCULE-3627372936 [0,1,0,0,0,0|3,0,0]=4 770 B8R1.18 ClC1=CC(=C(S1)Cl)Cl MCULE-5652906076 [0,1,0,0,0,0|3,0,0]=4 771 B8R1.18 ClC1=CC(=C(S1)Cl)I MCULE-1332213449 [0,1,0,0,0,0|3,0,0]=4 772 B8R1.18 FC1=C(SC(=C1)Br)Br MCULE-8974048884 [0,1,0,0,0,0|3,0,0]=4 773 B8R1.18 NC1SC(=O)NC1=O MCULE-8460816262 [0,1,0,0,0,0|3,0,0]=4 774 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,1,0,0,0,0|3,0,0]=4 775 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,1,0,0,0,0|3,0,0]=4 776 B8R1.18 O=C1NC(=O)C(S1)Br MCULE-7635505691 [0,1,0,0,0,0|3,0,0]=4 777 B8R1.19 CC1(CC=CC1=O)C MCULE-5478168383 [0,1,0,0,0,0|2,0,0]=3 778 B8R1.19 CC1(OC=CC1=O)C MCULE-4109921623 [0,1,0,0,0,0|1,1,0]=3 779 B8R1.50 BrC1=CSC(=C1Br)Br MCULE-8601513058 [0,1,0,0,0,0|3,0,0]=4 780 B8R1.50 CC1=C(C(=CS1)Br)C MCULE-9456444978 [0,1,0,0,0,0|2,0,0]=3 781 B8R1.50 CC1=C(C(=CS1)N)C MCULE-6595791851 [0,1,0,0,0,0|2,0,0]=3 782 B8R1.50 CC1=C(C=NN1C)Br MCULE-2943445881 [0,1,0,0,0,0|2,0,0]=3 783 B8R1.50 CC1=C(C=NN1C)Cl MCULE-4464227368 [0,1,0,0,0,0|2,0,0]=3 784 B8R1.50 CC1=C(C=NN1C)I MCULE-3625405761 [0,1,0,0,0,0|2,0,0]=3 785 B8R1.50 CC1=C(C=NN1C)N MCULE-1660426638 [0,1,0,0,0,0|2,0,0]=3 786 B8R1.50 CC1=C(C=NN1C)N MCULE-5715922920 [0,1,0,0,0,0|2,0,0]=3 787 B8R1.50 CC1=C(C=NN1C)N MCULE-6125793392 [0,1,0,0,0,0|2,0,0]=3 788 B8R1.50 CC1=C(C=NN1C)O MCULE-2566816087 [0,1,0,0,0,0|2,0,0]=3 789 B8R1.50 CC1=C(N(C=N1)C)Br MCULE-1802327564 [0,1,0,0,0,0|3,0,0]=4 790 B8R1.50 CC1=C(N(C=N1)C)C MCULE-4324466747 [0,1,0,0,0,0|3,0,0]=4 791 B8R1.50 CC1=C(N(C=N1)C)Cl MCULE-8948664946 [0,1,0,0,0,0|3,0,0]=4 792 B8R1.50 CC1=C(N(C=N1)C)I MCULE-4595498940 [0,1,0,0,0,0|3,0,0]=4 793 B8R1.50 CC1=C(N(C=N1)C)N MCULE-5535513749 [0,1,0,0,0,0|3,0,0]=4 794 B8R1.50 CC1=C(N(C=N1)C)N MCULE-7194989601 [0,1,0,0,0,0|3,0,0]=4 795 B8R1.50 CC1=C(N(CC1)C)Cl MCULE-2584612545 [0,1,0,0,0,0|2,0,1]=4 796 B8R1.50 CC1=C(N(N=C1)C)Br MCULE-2974637607 [0,1,0,0,0,0|2,0,0]=3 797 B8R1.50 CC1=C(N(N=C1)C)I MCULE-3380274676 [0,1,0,0,0,0|2,0,0]=3 798 B8R1.50 CC1=C(N(N=C1)C)N MCULE-2481541867 [0,1,0,0,0,0|2,0,0]=3 799 B8R1.50 CC1=C(N(N=C1)C)N MCULE-7967370752 [0,1,0,0,0,0|2,0,0]=3 800 B8R1.50 CC1=C(N(N=N1)C)Br MCULE-3027635199 [0,1,0,0,0,0|3,0,0]=4 801 B8R1.50 CC1=C(N(N=N1)C)I MCULE-8425778557 [0,1,0,0,0,0|3,0,0]=4 802 B8R1.50 CC1=C(N=CN1C)Br MCULE-3451679632 [0,1,0,0,0,0|3,0,0]=4 803 B8R1.50 CC1=C(N=CN1C)Cl MCULE-5219287864 [0,1,0,0,0,0|3,0,0]=4 804 B8R1.50 CC1=C(N=CN1C)I MCULE-9801675037 [0,1,0,0,0,0|3,0,0]=4 805 B8R1.50 CC1=C(N=CN1C)N MCULE-5600701716 [0,1,0,0,0,0|3,0,0]=4 806 B8R1.50 CC1=C(N=CN1C)N MCULE-8942774268 [0,1,0,0,0,0|3,0,0]=4 807 B8R1.50 CC1=C(N=NN1C)Br MCULE-9543983230 [0,1,0,0,0,0|3,0,0]=4 808 B8R1.50 CC1=C(N=NN1C)N MCULE-4700355552 [0,1,0,0,0,0|3,0,0]=4 809 B8R1.50 CC1=C(N=NN1C)N MCULE-9406144803 [0,1,0,0,0,0|3,0,0]=4 810 B8R1.50 CC1=C(SC=C1Br)N MCULE-2138893790 [0,1,0,0,0,0|3,0,0]=4 811 B8R1.50 CC1=C([N+](=CS1)C)C MCULE-3763494524 [0,1,0,0,0,0|3,0,0]=4 812 B8R1.50 CC1=C([N+](=CS1)C)C MCULE-8100671155 [0,1,0,0,0,0|3,0,0]=4 813 B8R1.50 CC1=CC=C(N1C)C MCULE-4143928476 [0,1,0,0,0,0|2,0,0]=3 814 B8R1.50 CC1=CC=C(N1N)C MCULE-8750393340 [0,1,0,0,0,0|3,0,0]=4 815 B8R1.50 CC1=CC=[N+](N1C)C MCULE-1583529559 [0,1,0,0,0,0|2,0,0]=3 816 B8R1.50 CC1=CC=[N+](N1C)C MCULE-2282433038 [0,1,0,0,0,0|2,0,0]=3 817 B8R1.50 CC1=CN=C(N1C)Br MCULE-6579001930 [0,1,0,0,0,0|3,0,0]=4 818 B8R1.50 CC1=CN=C(N1C)C MCULE-4791759733 [0,1,0,0,0,0|3,0,0]=4 819 B8R1.50 CC1=CNC(=C1C)C MCULE-1561607071 [0,1,0,0,0,0|3,0,0]=4 820 B8R1.50 CC1=CSC(=C1Br)Br MCULE-3406149039 [0,1,0,0,0,0|3,0,0]=4 821 B8R1.50 CC1=CSC(=C1Br)C MCULE-5613460132 [0,1,0,0,0,0|2,0,0]=3 822 B8R1.50 CC1=CSC(=C1C)Br MCULE-1284703369 [0,1,0,0,0,0|3,0,0]=4 823 B8R1.50 CC1=CSC(=C1N)C MCULE-1481066573 [0,1,0,0,0,0|2,0,0]=3 824 B8R1.50 CC1=CSC(=C1N)C MCULE-6188273510 [0,1,0,0,0,0|2,0,0]=3 825 B8R1.50 CC1=CSC(=C1N)Cl MCULE-3294430733 [0,1,0,0,0,0|3,0,0]=4 826 B8R1.50 CC1=CSC(=C1N)Cl MCULE-9252802974 [0,1,0,0,0,0|3,0,0]=4 827 B8R1.50 CC1=CSC(=S)N1C MCULE-8922061597 [0,1,0,0,0,0|2,1,0]=4 828 B8R1.50 CC1=CSC(=[N+]1C)C MCULE-5132173193 [0,1,0,0,0,0|3,0,0]=4 829 B8R1.50 CC1=CSC(=[N+]1C)C MCULE-9084711109 [0,1,0,0,0,0|3,0,0]=4 830 B8R1.50 CC1=NC=C(N1C)Br MCULE-6990569599 [0,1,0,0,0,0|3,0,0]=4 831 B8R1.50 CC1=NC=C(N1C)I MCULE-9128905964 [0,1,0,0,0,0|3,0,0]=4 832 B8R1.50 CC1=NC=C(N1C)N MCULE-7575940424 [0,1,0,0,0,0|3,0,0]=4 833 B8R1.50 CC1=NNC(=O)N1C MCULE-7430385178 [0,1,0,0,0,0|3,0,0]=4 834 B8R1.50 CC1=NSC(=C1N)C MCULE-6149591417 [0,1,0,0,0,0|3,0,0]=4 835 B8R1.50 CC1=NSC(=C1N)C MCULE-7187756082 [0,1,0,0,0,0|3,0,0]=4 836 B8R1.50 CC1=[N+](C=CN1C)C MCULE-8347450975 [0,1,0,0,0,0|3,0,0]=4 837 B8R1.50 CC1=[N+](C=CN1C)C MCULE-8352110185 [0,1,0,0,0,0|3,0,0]=4 838 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,1,0,0,0,0|2,0,1]=4 839 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,1,0,0,0,0|1,0,2]=4 840 B8R1.50 CC1CCN(C1=O)C MCULE-1499213360 [0,1,0,0,0,0|1,0,2]=4 841 B8R1.50 CC1NCN(C1=O)C MCULE-2390134887 [0,1,0,0,0,0|2,0,1]=4 842 B8R1.50 CC1NCN(C1=O)C MCULE-7463423136 [0,1,0,0,0,0|2,0,1]=4 843 B8R1.50 CN1C(=CN=C1Br)Br MCULE-5716974518 [0,1,0,0,0,0|3,0,0]=4 844 B8R1.50 CN1C(=CN=C1I)I MCULE-2180809256 [0,1,0,0,0,0|3,0,0]=4 845 B8R1.50 CN1C(=O)C=CC1=O MCULE-2337038549 [0,1,0,0,0,0|1,0,0]=2 846 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [0,1,0,0,0,0|1,0,2]=4 847 B8R1.50 CN1C(=O)CCC1O MCULE-1070053575 [0,1,0,0,0,0|1,0,2]=4 848 B8R1.50 CN1C(=O)CNC1=O MCULE-8997643894 [0,1,0,0,0,0|2,0,1]=4 849 B8R1.50 CN1C(=O)CNC1=S MCULE-6633485185 [0,1,0,0,0,0|2,0,1]=4 850 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,1,0,0,0,0|2,0,1]=4 851 B8R1.50 CN1C(=O)CSC1=O MCULE-8837313577 [0,1,0,0,0,0|2,0,1]=4 852 B8R1.50 CN1C(=O)CSC1=S MCULE-8742608574 [0,1,0,0,0,0|2,0,1]=4 853 B8R1.50 CN1C(=O)N=NC1=O MCULE-3120186978 [0,1,0,0,0,0|3,0,0]=4 854 B8R1.50 CN1C(=O)NN=C1S MCULE-4115576499 [0,1,0,0,0,0|3,0,0]=4 855 B8R1.50 CN1C(=O)NNC1=O MCULE-9990504316 [0,1,0,0,0,0|3,0,0]=4 856 B8R1.50 CN1C=CN(C1=S)C MCULE-5024935959 [0,1,0,0,0,0|2,1,0]=4 857 B8R1.50 CN1C=C[N+](=C1Cl)C MCULE-7002805958 [0,1,0,0,0,0|3,0,0]=4 858 B8R1.50 CN1C=C[N+](=C1Cl)C MCULE-7399931216 [0,1,0,0,0,0|3,0,0]=4 859 B8R1.50 CN1C=NC(=C1Br)Br MCULE-1233869697 [0,1,0,0,0,0|3,0,0]=4 860 B8R1.50 CN1C=NC(=C1Br)F MCULE-3579998767 [0,1,0,0,0,0|3,0,0]=4 861 B8R1.50 CN1C=NC(=C1Cl)Br MCULE-5300315929 [0,1,0,0,0,0|3,0,0]=4 862 B8R1.50 CN1C=NC(=C1Cl)Cl MCULE-2853992523 [0,1,0,0,0,0|3,0,0]=4 863 B8R1.50 CN1C=NC(=C1I)I MCULE-3703100403 [0,1,0,0,0,0|3,0,0]=4 864 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [0,1,0,0,0,0|1,0,1]=3 865 B8R1.50 CN1CCC(C1=O)Br MCULE-9857530514 [0,1,0,0,0,0|1,0,2]=4 866 B8R1.50 CN1CCC(C1=O)Cl MCULE-5732339719 [0,1,0,0,0,0|1,0,2]=4 867 B8R1.50 CN1CCC(C1=O)N MCULE-2896853309 [0,1,0,0,0,0|1,0,2]=4 868 B8R1.50 CN1CCC(C1=O)N MCULE-5951659989 [0,1,0,0,0,0|1,0,2]=4 869 B8R1.50 CN1CCC(C1=O)O MCULE-6867263123 [0,1,0,0,0,0|1,0,2]=4 870 B8R1.50 CN1CCN(C1=O)C MCULE-4012400107 [0,1,0,0,0,0|2,0,1]=4 871 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-3820062607 [0,1,0,0,0,0|1,0,2]=4 872 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-7270649984 [0,1,0,0,0,0|1,0,2]=4 873 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-8015311112 [0,1,0,0,0,0|1,0,2]=4 874 B8R1.50 CN1CC[C@H](C1=O)N MCULE-1278006515 [0,1,0,0,0,0|1,0,2]=4 875 B8R1.50 CN1CC[C@H](C1=O)N MCULE-3751335664 [0,1,0,0,0,0|1,0,2]=4 876 B8R1.50 CN1CC[C@H](C1=O)N MCULE-4883949932 [0,1,0,0,0,0|1,0,2]=4 877 B8R1.50 CN1CC[C@H](C1=O)N MCULE-7143065464 [0,1,0,0,0,0|1,0,2]=4 878 B8R1.50 CN1N=CC(=C1Br)F MCULE-7064220829 [0,1,0,0,0,0|2,0,0]=3 879 B8R1.50 CN1N=CC(=C1Cl)N MCULE-2061180478 [0,1,0,0,0,0|2,0,0]=3 880 B8R1.50 CN1N=CC(=C1Cl)N MCULE-5276024822 [0,1,0,0,0,0|2,0,0]=3 881 B8R1.50 CN1N=CC(=C1Cl)O MCULE-2872577240 [0,1,0,0,0,0|2,0,0]=3 882 B8R1.50 CN1N=CC(=C1F)Br MCULE-6843258904 [0,1,0,0,0,0|2,0,0]=3 883 B8R1.50 CN1N=CC(=C1F)I MCULE-9689798868 [0,1,0,0,0,0|2,0,0]=3 884 B8R1.50 CN1N=CC(=C1I)Cl MCULE-7150294946 [0,1,0,0,0,0|2,0,0]=3 885 B8R1.50 CN1N=CC(=C1I)N MCULE-1924201437 [0,1,0,0,0,0|2,0,0]=3 886 B8R1.50 CN1N=CC(=C1I)N MCULE-9361314337 [0,1,0,0,0,0|2,0,0]=3 887 B8R1.50 CN1N=CC(=C1N)Br MCULE-4567433902 [0,1,0,0,0,0|2,0,0]=3 888 B8R1.50 CN1N=CC(=C1N)Br MCULE-4625067405 [0,1,0,0,0,0|2,0,0]=3 889 B8R1.50 CN1N=CC(=C1N)Br MCULE-5182515565 [0,1,0,0,0,0|2,0,0]=3 890 B8R1.50 CN1N=CC(=C1N)Cl MCULE-4497682823 [0,1,0,0,0,0|2,0,0]=3 891 B8R1.50 CN1N=CC(=C1N)F MCULE-1352161896 [0,1,0,0,0,0|2,0,0]=3 892 B8R1.50 CN1N=CC(=C1N)F MCULE-8717706445 [0,1,0,0,0,0|2,0,0]=3 893 B8R1.50 CN1N=CC(=C1N)I MCULE-5774991757 [0,1,0,0,0,0|2,0,0]=3 894 B8R1.50 CN1N=CC(=C1N)N MCULE-6327475946 [0,1,0,0,0,0|2,0,0]=3 895 B8R1.50 CN1N=CC(=C1N)N MCULE-8171524109 [0,1,0,0,0,0|2,0,0]=3 896 B8R1.50 CN1N=CC(=C1O)Br MCULE-5789648830 [0,1,0,0,0,0|1,0,1]=3 897 B8R1.50 CN1N=CN(C1=O)N MCULE-8289494181 [0,1,0,0,0,0|2,0,0]=3 898 B8R1.50 CN1N=NC(=C1Br)Br MCULE-7008965187 [0,1,0,0,0,0|3,0,0]=4 899 B8R1.50 CN1N=NC(=C1I)I MCULE-2167625753 [0,1,0,0,0,0|3,0,0]=4 900 B8R1.50 CN1N=[O+]C(=C1I)[O-] MCULE-4502698357 [0,1,0,0,0,0|3,0,0]=4 901 B8R1.50 ClC1=CSC(=C1Cl)Cl MCULE-7935634234 [0,1,0,0,0,0|3,0,0]=4 902 B8R1.50 O=C1C=CC(=O)N1Cl MCULE-3334700253 [0,1,0,0,0,0|2,0,0]=3 903 B8R1.50 O=C1C=CC(=O)N1O MCULE-9775072223 [0,1,0,0,0,0|2,0,0]=3 904 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,0,1,0,0,0|2,0,0]=3 905 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,0,1,0,0,0|2,0,0]=3 906 B6R0.1 C=C=CC(=O)OC MCULE-7885631451 [0,0,1,0,0,0|2,0,1]=4 907 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [0,0,1,0,0,0|1,0,1]=3 908 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,0,1,0,0,0|2,0,1]=4 909 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [0,0,1,0,0,0|2,0,0]=3 910 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [0,0,1,0,0,0|2,0,0]=3 911 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,0,1,0,0,0|3,0,0]=4 912 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,0,1,0,0,0|2,0,0]=3 913 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,0,1,0,0,0|2,0,0]=3 914 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,0,1,0,0,0|1,0,2]=4 915 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,0,1,0,0,0|2,0,1]=4 916 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,0,1,0,0,0|2,0,1]=4 917 B6R0.1 CN(C=O)CCO MCULE-3588371476 [0,0,1,0,0,0|2,0,1]=4 918 B6R0.1 CNC(=O)CC#N MCULE-2970000161 [0,0,1,0,0,0|1,0,2]=4 919 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,0,1,0,0,0|1,0,2]=4 920 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,0,1,0,0,0|1,0,2]=4 921 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,0,1,0,0,0|1,0,2]=4 922 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,0,1,0,0,0|1,0,2]=4 923 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,0,1,0,0,0|0,1,2]=4 924 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,0,1,0,0,0|0,0,2]=3 925 B6R0.1 CNC(=O)CON MCULE-6451598359 [0,0,1,0,0,0|2,0,1]=4 926 B6R0.1 CNC(=O)CON MCULE-8743298594 [0,0,1,0,0,0|2,0,1]=4 927 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,0,1,0,0,0|2,0,1]=4 928 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,0,1,0,0,0|2,0,1]=4 929 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [0,0,1,0,0,0|2,0,0]=3 930 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [0,0,1,0,0,0|2,0,0]=3 931 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [0,0,1,0,0,0|2,0,0]=3 932 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [0,0,1,0,0,0|2,0,0]=3 933 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [0,0,1,0,0,0|2,0,0]=3 934 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [0,0,1,0,0,0|2,0,0]=3 935 B6R0.1 COC(=O)C=CI MCULE-1616048599 [0,0,1,0,0,0|2,0,0]=3 936 B6R0.1 COC(=O)C=CN MCULE-4685220707 [0,0,1,0,0,0|2,0,0]=3 937 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,0,1,0,0,0|1,1,1]=4 938 B6R0.1 COC(=O)CCS MCULE-1695345183 [0,0,1,0,0,0|1,0,2]=4 939 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,0,1,0,0,0|2,1,0]=4 940 B6R0.1 NNC(=O)CCS MCULE-9322963076 [0,0,1,0,0,0|1,0,2]=4 941 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [0,0,1,0,0,0|3,0,0]=4 942 B6R0.3 C#CC(=O)N(C)C MCULE-6032188951 [0,0,1,0,0,0|1,0,2]=4 943 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,0,1,0,0,0|2,1,0]=4 944 B6R0.3 C=CC(=O)C(C)C MCULE-8577593172 [0,0,1,0,0,0|2,0,0]=3 945 B6R0.3 C=CC(=O)N(C)C MCULE-3105693382 [0,0,1,0,0,0|1,0,0]=2 946 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,0,1,0,0,0|3,0,0]=4 947 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [0,0,1,0,0,0|1,0,1]=3 948 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,0,1,0,0,0|3,0,0]=4 949 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,0,1,0,0,0|3,0,0]=4 950 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,0,1,0,0,0|3,0,0]=4 951 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,0,1,0,0,0|3,0,0]=4 952 B6R0.3 CCC(=O)C(C)S MCULE-3934356624 [0,0,1,0,0,0|1,0,2]=4 953 B6R0.3 CCC(=O)N(C)C MCULE-1734001200 [0,0,1,0,0,0|1,0,2]=4 954 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,0,1,0,0,0|1,0,2]=4 955 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,0,1,0,0,0|2,0,1]=4 956 B6R0.3 CN(C)C(=O)CBr MCULE-8318415267 [0,0,1,0,0,0|2,0,1]=4 957 B6R0.3 CN(C)C(=O)CCl MCULE-7153641042 [0,0,1,0,0,0|2,0,1]=4 958 B6R0.3 CN(C)C(=O)CI MCULE-4437173749 [0,0,1,0,0,0|2,0,1]=4 959 B6R0.3 CN(C)C(=O)CN MCULE-2195526798 [0,0,1,0,0,0|2,0,1]=4 960 B6R0.3 CN(C)C(=O)CN MCULE-4999236521 [0,0,1,0,0,0|2,0,1]=4 961 B6R0.3 CN(C)C(=O)CN MCULE-7091962350 [0,0,1,0,0,0|2,0,1]=4 962 B6R0.3 CN(C)C(=O)CO MCULE-8470749078 [0,0,1,0,0,0|2,0,1]=4 963 B6R0.3 CN(C)C(=O)CS MCULE-2815493030 [0,0,1,0,0,0|2,0,1]=4 964 B6R0.3 CN(C)C(=O)NN MCULE-1456206497 [0,0,1,0,0,0|3,0,0]=4 965 B6R0.3 CN(C)C(=O)NO MCULE-7406409363 [0,0,1,0,0,0|3,0,0]=4 966 B6R0.3 CN(N)C(=O)NO MCULE-9258932516 [0,0,1,0,0,0|3,0,0]=4 967 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [0,0,1,0,0,0|3,0,0]=4 968 B6R0.3 CN(O)C(=O)CN MCULE-6904940710 [0,0,1,0,0,0|1,1,1]=4 969 B6R0.3 CN(O)C(=O)CN MCULE-7352809793 [0,0,1,0,0,0|1,1,1]=4 970 B6R0.3 CNC(=O)N(C)C MCULE-3799320827 [0,0,1,0,0,0|2,0,1]=4 971 B6R0.3 COC(=O)C(C)S MCULE-8499044680 [0,0,1,0,0,0|2,0,1]=4 972 B6R0.3 COC(=O)N(C)C MCULE-7772743169 [0,0,1,0,0,0|2,0,1]=4 973 B6R0.3 COC(=O)N(C)N MCULE-4131925989 [0,0,1,0,0,0|2,0,1]=4 974 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,0,1,0,0,0|0,1,2]=4 975 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,0,1,0,0,0|1,1,1]=4 976 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,0,1,0,0,0|1,0,2]=4 977 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,0,1,0,0,0|2,0,1]=4 978 B6R0.6 C/C=C/C=C/C=O MCULE-9837225903 [0,0,1,0,0,0|2,0,0]=3 979 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [0,0,1,0,0,0|2,0,1]=4 980 B6R0.6 CC=CC=CC=O MCULE-7370101773 [0,0,1,0,0,0|2,0,0]=3 981 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [0,0,1,0,0,0|2,0,0]=3 982 B6R0.6 CCC=CCC=O MCULE-5764198290 [0,0,1,0,0,0|2,0,1]=4 983 B6R0.6 CCCC=CC=O MCULE-5273169296 [0,0,1,0,0,0|2,0,0]=3 984 B6R0.6 CCSCCC=O MCULE-2493452950 [0,0,1,0,0,0|1,0,2]=4 985 B6R0.6 O=CC=CC=C[O-] MCULE-1735082795 [0,0,1,0,0,0|3,0,0]=4 986 B6R0.6 O=CC=CC=C[O-] MCULE-1943976542 [0,0,1,0,0,0|3,0,0]=4 987 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,0,1,0|1,0,2]=4 988 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,0,1,0|2,0,1]=4 989 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,0,1,0|2,0,1]=4 990 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,0,1,0|1,1,1]=4 991 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,0,1,0|1,0,2]=4 992 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,0,1,0|1,0,2]=4 993 B8R1.4 CC1=CC(=CC=C1)F MCULE-6045140729 [0,0,0,0,0,1|3,0,0]=4 994 B8R1.4 CC1=CC(=CC=C1)I MCULE-3795791692 [0,0,0,0,0,1|3,0,0]=4 995 B8R1.4 CC1=CC(=CC=C1)N MCULE-1920471804 [0,0,0,0,0,1|3,0,0]=4 996 B8R1.4 CC1=CC(=CC=C1)N MCULE-5245184326 [0,0,0,0,0,1|3,0,0]=4 997 B8R1.4 CC1=CC(=CC=C1)O MCULE-6836106503 [0,0,0,0,0,1|2,0,1]=4 998 B8R1.4 CC1=CC(=CC=N1)Cl MCULE-9459644382 [0,0,0,0,0,1|3,0,0]=4 999 B8R1.4 CC1=CC(=CC=N1)N MCULE-3535156881 [0,0,0,0,0,1|3,0,0]=4 1000 B8R1.4 CC1=CC(=CC=N1)N MCULE-8749182622 [0,0,0,0,0,1|3,0,0]=4 1001 B8R1.4 CC1=CC(=O)C=CO1 MCULE-4709385267 [0,0,0,0,0,1|1,1,0]=3 1002 B8R1.4 CC1=CC(=O)NC=N1 MCULE-4546584000 [0,0,0,0,0,1|3,0,0]=4 1003 B8R1.4 CC1=CC=CC(=C1)Br MCULE-4991934524 [0,0,0,0,0,1|3,0,0]=4 1004 B8R1.4 CC1=CC=CC(=C1)C MCULE-9376558510 [0,0,0,0,0,1|3,0,0]=4 1005 B8R1.4 CC1=CC=CC(=C1)Cl MCULE-9550807032 [0,0,0,0,0,1|3,0,0]=4 1006 B8R1.4 CC1=CC=CC(=C1)N MCULE-1279166450 [0,0,0,0,0,1|3,0,0]=4 1007 B8R1.4 CC1=CC=CC(=C1)N MCULE-5301195436 [0,0,0,0,0,1|3,0,0]=4 1008 B8R1.4 CC1=CC=CC(=C1)S MCULE-6507261580 [0,0,0,0,0,1|2,1,0]=4 1009 B8R1.4 CC1=CC=CC(=C1)[O-] MCULE-8199453116 [0,0,0,0,0,1|2,0,1]=4 1010 B8R1.4 CC1=CC=CC(=N1)Br MCULE-5449488171 [0,0,0,0,0,1|3,0,0]=4 1011 B8R1.4 CC1=CC=CC(=N1)C MCULE-7437303122 [0,0,0,0,0,1|3,0,0]=4 1012 B8R1.4 CC1=CC=CC(=N1)C MCULE-9899916337 [0,0,0,0,0,1|3,0,0]=4 1013 B8R1.4 CC1=CC=CC(=N1)Cl MCULE-5983649332 [0,0,0,0,0,1|3,0,0]=4 1014 B8R1.4 CC1=CC=CC(=N1)F MCULE-1236906403 [0,0,0,0,0,1|3,0,0]=4 1015 B8R1.4 CC1=CC=CC(=N1)I MCULE-7577310384 [0,0,0,0,0,1|3,0,0]=4 1016 B8R1.4 CC1=CC=CC(=N1)N MCULE-5016880155 [0,0,0,0,0,1|3,0,0]=4 1017 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [0,0,0,0,0,1|2,0,0]=3 1018 B8R1.4 CC1=CC=CC(=S)N1 MCULE-5057123376 [0,0,0,0,0,1|2,1,0]=4 1019 B8R1.4 CC1=CC=NC(=C1)C MCULE-4424416466 [0,0,0,0,0,1|3,0,0]=4 1020 B8R1.4 CC1=CC=NC(=O)C1 MCULE-4882777367 [0,0,0,0,0,1|3,0,0]=4 1021 B8R1.4 CC1=CC=NC(=O)N1 MCULE-6541642341 [0,0,0,0,0,1|3,0,0]=4 1022 B8R1.4 CC1=NC(=CC=N1)Cl MCULE-6193249685 [0,0,0,0,0,1|3,0,0]=4 1023 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6773374255 [0,0,0,0,0,1|3,0,0]=4 1024 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6777516279 [0,0,0,0,0,1|3,0,0]=4 1025 B8R1.4 CC1=NC(=NC=C1)C MCULE-8802802250 [0,0,0,0,0,1|3,0,0]=4 1026 B8R1.4 CC1=NC(=O)C=CN1 MCULE-5044952802 [0,0,0,0,0,1|2,0,0]=3 1027 B8R1.4 CC1=NC(=O)NC=C1 MCULE-2973571138 [0,0,0,0,0,1|3,0,0]=4 1028 B8R1.4 CC1=NC=CC(=C1)Br MCULE-3282338305 [0,0,0,0,0,1|3,0,0]=4 1029 B8R1.4 CC1=NC=CC(=C1)Br MCULE-6217035964 [0,0,0,0,0,1|3,0,0]=4 1030 B8R1.4 CC1=NC=CC(=C1)Br MCULE-9620229659 [0,0,0,0,0,1|3,0,0]=4 1031 B8R1.4 CC1=NC=CC(=C1)F MCULE-2696341329 [0,0,0,0,0,1|3,0,0]=4 1032 B8R1.4 CC1=NC=CC(=C1)I MCULE-7881506911 [0,0,0,0,0,1|3,0,0]=4 1033 B8R1.4 CC1=NC=CC(=C1)O MCULE-5342065244 [0,0,0,0,0,1|2,0,1]=4 1034 B8R1.4 CC1=NC=CC(=N1)Br MCULE-4443387283 [0,0,0,0,0,1|3,0,0]=4 1035 B8R1.4 CC1=NC=CC(=N1)Cl MCULE-9800967463 [0,0,0,0,0,1|3,0,0]=4 1036 B8R1.4 CC1=NC=CC(=N1)I MCULE-7865818265 [0,0,0,0,0,1|3,0,0]=4 1037 B8R1.4 CC1=NC=CC(=N1)O MCULE-2063475679 [0,0,0,0,0,1|2,0,1]=4 1038 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,0,0,0,0,1|2,0,0]=3 1039 B8R1.4 CN1CCC=C(C1)Br MCULE-2257933393 [0,0,0,0,0,1|2,0,1]=4 1040 B8R1.4 CN1CCC=C(C1)Br MCULE-5744160461 [0,0,0,0,0,1|2,0,1]=4 1041 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,0,0,0,0,1|1,0,2]=4 1042 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,0,0,0,0,1|1,0,2]=4 1043 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,0,0,0,0,1|2,0,1]=4 1044 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,0,0,0,0,1|2,0,1]=4 1045 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,0,0,0,0,1|2,0,1]=4 1046 B8R1.4 C[N+]1=CC(=CC=C1)N MCULE-4555031146 [0,0,0,0,0,1|2,0,1]=4 1047 B8R1.4 C[N+]1=CC(=CC=C1)N MCULE-7467812000 [0,0,0,0,0,1|2,0,1]=4 1048 B8R1.4 C[N+]1=CC(=CC=C1)O MCULE-3080525423 [0,0,0,0,0,1|1,0,2]=4 1049 B8R1.4 C[N+]1=CC(=CC=C1)O MCULE-9199830919 [0,0,0,0,0,1|1,0,2]=4 1050 B8R1.4 C[N+]1=CC(=CC=C1)O MCULE-9774407391 [0,0,0,0,0,1|1,0,2]=4 1051 B8R1.4 C[N+]1=CC=CC(=C1)Br MCULE-4381854301 [0,0,0,0,0,1|2,0,1]=4 1052 B8R1.4 C[N+]1=CC=CC(=C1)Br MCULE-9257476105 [0,0,0,0,0,1|2,0,1]=4 1053 B8R1.4 C[N+]1=CC=CC(=C1)Cl MCULE-8120377813 [0,0,0,0,0,1|2,0,1]=4 1054 B8R1.4 C[N+]1=CC=CC(=C1)Cl MCULE-8851733175 [0,0,0,0,0,1|2,0,1]=4 1055 B8R1.4 C[N+]1=CC=CC(=C1)Cl MCULE-9872161215 [0,0,0,0,0,1|2,0,1]=4 1056 B8R1.4 C[N+]1=CC=CC(=C1)I MCULE-1625966700 [0,0,0,0,0,1|2,0,1]=4 1057 B8R1.4 C[N+]1=CC=CC(=C1)I MCULE-1914951817 [0,0,0,0,0,1|2,0,1]=4 1058 B8R1.4 C[N+]1=CC=CC(=C1)I MCULE-8690034431 [0,0,0,0,0,1|2,0,1]=4 1059 B8R1.4 NC1=NC=CC(=O)N1 MCULE-7474139826 [0,0,0,0,0,1|3,0,0]=4 1060 B8R1.4 O=C1C=CC=C(N1)Cl MCULE-5990074384 [0,0,0,0,0,1|3,0,0]=4 1061 B8R1.4 O=C1C=CC=C(N1)I MCULE-7962501587 [0,0,0,0,0,1|3,0,0]=4 1062 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [0,0,0,0,0,1|3,0,0]=4 1063 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [0,0,0,0,0,1|3,0,0]=4 1064 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [0,0,0,0,0,1|3,0,0]=4 1065 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,0,0,0,0,1|2,1,0]=4 1066 B8R1.5 CC1=C(C=CC=C1)Br MCULE-5867809054 [0,0,0,0,0,1|3,0,0]=4 1067 B8R1.5 CC1=C(C=CC=C1)Cl MCULE-2832835864 [0,0,0,0,0,1|3,0,0]=4 1068 B8R1.5 CC1=C(C=CC=C1)F MCULE-4058961323 [0,0,0,0,0,1|3,0,0]=4 1069 B8R1.5 CC1=C(C=CC=C1)I MCULE-5226243046 [0,0,0,0,0,1|3,0,0]=4 1070 B8R1.5 CC1=C(C=CC=C1)N MCULE-1459156774 [0,0,0,0,0,1|3,0,0]=4 1071 B8R1.5 CC1=C(C=CC=C1)N MCULE-2695214373 [0,0,0,0,0,1|3,0,0]=4 1072 B8R1.5 CC1=C(C=CC=C1)O MCULE-4124485112 [0,0,0,0,0,1|2,0,1]=4 1073 B8R1.5 CC1=C(C=CC=C1)S MCULE-6476564431 [0,0,0,0,0,1|2,1,0]=4 1074 B8R1.5 CC1=C(C=CC=N1)Br MCULE-6578029361 [0,0,0,0,0,1|3,0,0]=4 1075 B8R1.5 CC1=C(C=CC=N1)Cl MCULE-6500327143 [0,0,0,0,0,1|3,0,0]=4 1076 B8R1.5 CC1=C(C=CC=N1)N MCULE-9641202098 [0,0,0,0,0,1|3,0,0]=4 1077 B8R1.5 CC1=C(C=CC=N1)S MCULE-9803030204 [0,0,0,0,0,1|2,1,0]=4 1078 B8R1.5 CC1=C(C=CN=C1)Br MCULE-4182598284 [0,0,0,0,0,1|3,0,0]=4 1079 B8R1.5 CC1=C(C=CN=C1)Br MCULE-5097258045 [0,0,0,0,0,1|3,0,0]=4 1080 B8R1.5 CC1=C(C=CN=C1)Br MCULE-8939501056 [0,0,0,0,0,1|3,0,0]=4 1081 B8R1.5 CC1=C(C=CN=C1)Cl MCULE-2009988820 [0,0,0,0,0,1|3,0,0]=4 1082 B8R1.5 CC1=C(C=CN=C1)F MCULE-3017421856 [0,0,0,0,0,1|3,0,0]=4 1083 B8R1.5 CC1=C(C=CN=C1)F MCULE-6112439648 [0,0,0,0,0,1|3,0,0]=4 1084 B8R1.5 CC1=C(C=CN=C1)N MCULE-1868817412 [0,0,0,0,0,1|3,0,0]=4 1085 B8R1.5 CC1=C(C=CN=C1)N MCULE-8559651431 [0,0,0,0,0,1|3,0,0]=4 1086 B8R1.5 CC1=C(C=CN=C1)O MCULE-9196997081 [0,0,0,0,0,1|2,0,1]=4 1087 B8R1.5 CC1=C(C=CN=C1)S MCULE-3929338586 [0,0,0,0,0,1|2,1,0]=4 1088 B8R1.5 CC1=C(C=CN=N1)N MCULE-5212154953 [0,0,0,0,0,1|3,0,0]=4 1089 B8R1.5 CC1=C(C=CN=N1)N MCULE-5735840319 [0,0,0,0,0,1|3,0,0]=4 1090 B8R1.5 CC1=C(C=C[NH+]=C1)Cl MCULE-4082853098 [0,0,0,0,0,1|3,0,0]=4 1091 B8R1.5 CC1=C(C=NC=C1)Br MCULE-2655761132 [0,0,0,0,0,1|3,0,0]=4 1092 B8R1.5 CC1=C(C=NC=C1)Cl MCULE-3026797497 [0,0,0,0,0,1|3,0,0]=4 1093 B8R1.5 CC1=C(C=NC=C1)F MCULE-4563432299 [0,0,0,0,0,1|3,0,0]=4 1094 B8R1.5 CC1=C(C=NC=C1)I MCULE-1396354752 [0,0,0,0,0,1|3,0,0]=4 1095 B8R1.5 CC1=C(C=NC=C1)N MCULE-3638373448 [0,0,0,0,0,1|3,0,0]=4 1096 B8R1.5 CC1=C(C=NC=C1)O MCULE-4421180042 [0,0,0,0,0,1|2,0,1]=4 1097 B8R1.5 CC1=C(C=NC=C1)S MCULE-3213541315 [0,0,0,0,0,1|2,1,0]=4 1098 B8R1.5 CC1=C(C=NC=N1)Br MCULE-3523218074 [0,0,0,0,0,1|3,0,0]=4 1099 B8R1.5 CC1=C(C=NC=N1)Cl MCULE-3040211595 [0,0,0,0,0,1|3,0,0]=4 1100 B8R1.5 CC1=C(N=CC=C1)C MCULE-2317966331 [0,0,0,0,0,1|3,0,0]=4 1101 B8R1.5 CC1=C(N=CC=C1)Cl MCULE-5973332807 [0,0,0,0,0,1|3,0,0]=4 1102 B8R1.5 CC1=C(N=CC=C1)N MCULE-4505556012 [0,0,0,0,0,1|3,0,0]=4 1103 B8R1.5 CC1=C(N=CC=C1)S MCULE-4219810898 [0,0,0,0,0,1|2,1,0]=4 1104 B8R1.5 CC1=C(N=CC=N1)C MCULE-4503796486 [0,0,0,0,0,1|3,0,0]=4 1105 B8R1.5 CC1=C(N=CC=N1)O MCULE-9717185036 [0,0,0,0,0,1|2,0,1]=4 1106 B8R1.5 CC1=C(N=CN=C1)C MCULE-3773296127 [0,0,0,0,0,1|3,0,0]=4 1107 B8R1.5 CC1=C(N=CN=C1)C MCULE-5808444610 [0,0,0,0,0,1|3,0,0]=4 1108 B8R1.5 CC1=C(N=NC=C1)C MCULE-2628080707 [0,0,0,0,0,1|3,0,0]=4 1109 B8R1.5 CC1=CC=CC=C1C MCULE-2208963094 [0,0,0,0,0,1|3,0,0]=4 1110 B8R1.5 CC1=CC=CC=C1N MCULE-4254037883 [0,0,0,0,0,1|3,0,0]=4 1111 B8R1.5 CC1=CC=CC=C1[O-] MCULE-3283477199 [0,0,0,0,0,1|2,0,1]=4 1112 B8R1.5 CC1=CC=CN=C1Br MCULE-1253867272 [0,0,0,0,0,1|3,0,0]=4 1113 B8R1.5 CC1=CC=CN=C1F MCULE-2317873361 [0,0,0,0,0,1|3,0,0]=4 1114 B8R1.5 CC1=CC=CN=C1I MCULE-6176909597 [0,0,0,0,0,1|3,0,0]=4 1115 B8R1.5 CC1=CC=CN=C1N MCULE-4786050489 [0,0,0,0,0,1|3,0,0]=4 1116 B8R1.5 CC1=CC=CNC1=O MCULE-8735614074 [0,0,0,0,0,1|2,0,0]=3 1117 B8R1.5 CC1=CC=NC=C1C MCULE-3228489734 [0,0,0,0,0,1|3,0,0]=4 1118 B8R1.5 CC1=CC=NNC1=O MCULE-4615705346 [0,0,0,0,0,1|3,0,0]=4 1119 B8R1.5 CC1=NC=CC=C1F MCULE-2531071732 [0,0,0,0,0,1|3,0,0]=4 1120 B8R1.5 CC1=NC=CC=C1I MCULE-3708019579 [0,0,0,0,0,1|3,0,0]=4 1121 B8R1.5 CC1=NC=CC=C1O MCULE-5234565173 [0,0,0,0,0,1|2,0,1]=4 1122 B8R1.5 CC1=NC=CC=C1O MCULE-8707169056 [0,0,0,0,0,1|2,0,1]=4 1123 B8R1.5 CC1=NC=CN=C1Br MCULE-3918226124 [0,0,0,0,0,1|3,0,0]=4 1124 B8R1.5 CC1=NC=CN=C1Cl MCULE-4290210637 [0,0,0,0,0,1|3,0,0]=4 1125 B8R1.5 CC1=NC=CN=C1I MCULE-7775261673 [0,0,0,0,0,1|3,0,0]=4 1126 B8R1.5 CC1=NC=CN=C1N MCULE-3139305728 [0,0,0,0,0,1|3,0,0]=4 1127 B8R1.5 CC1=NC=CNC1=O MCULE-8764563866 [0,0,0,0,0,1|2,0,0]=3 1128 B8R1.5 CC1=NC=NC=C1I MCULE-3730052583 [0,0,0,0,0,1|3,0,0]=4 1129 B8R1.5 CC1=NC=NC=C1N MCULE-6959130870 [0,0,0,0,0,1|3,0,0]=4 1130 B8R1.5 CC1=NC=NC=C1O MCULE-5289702839 [0,0,0,0,0,1|2,0,1]=4 1131 B8R1.5 CC1=[N+](C=CC=C1)C MCULE-6493063500 [0,0,0,0,0,1|2,0,1]=4 1132 B8R1.5 CC1=[N+](C=CC=C1)C MCULE-9776595816 [0,0,0,0,0,1|2,0,1]=4 1133 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [0,0,0,0,0,1|1,0,2]=4 1134 B8R1.5 CC1SCCCC1=O MCULE-7641066964 [0,0,0,0,0,1|1,0,2]=4 1135 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [0,0,0,0,0,1|1,0,2]=4 1136 B8R1.5 CN1C=CC=CC1=N MCULE-3355276214 [0,0,0,0,0,1|2,0,0]=3 1137 B8R1.5 CN1C=CC=CC1=O MCULE-8858407794 [0,0,0,0,0,1|1,0,0]=2 1138 B8R1.5 CN1C=CC=CC1=S MCULE-6944540671 [0,0,0,0,0,1|1,1,0]=3 1139 B8R1.5 CN1C=CC=NC1=N MCULE-2512515832 [0,0,0,0,0,1|2,0,0]=3 1140 B8R1.5 CN1C=CC=NC1=N MCULE-8360905299 [0,0,0,0,0,1|2,0,0]=3 1141 B8R1.5 CN1C=CC=NC1=O MCULE-8455265922 [0,0,0,0,0,1|1,0,0]=2 1142 B8R1.5 CN1C=CC=NC1=S MCULE-5507632010 [0,0,0,0,0,1|1,1,0]=3 1143 B8R1.5 CN1C=NC=CC1=O MCULE-8061844419 [0,0,0,0,0,1|1,0,0]=2 1144 B8R1.5 CN1CCCCC1=O MCULE-9619129797 [0,0,0,0,0,1|1,0,2]=4 1145 B8R1.5 CN1CCCNC1=O MCULE-3141639397 [0,0,0,0,0,1|1,0,2]=4 1146 B8R1.5 CN1CCNCC1=O MCULE-4783963074 [0,0,0,0,0,1|1,0,2]=4 1147 B8R1.5 CN1CCNCC1=O MCULE-7251084542 [0,0,0,0,0,1|1,0,2]=4 1148 B8R1.5 CN1CCNCC1=O MCULE-9201460493 [0,0,0,0,0,1|1,0,2]=4 1149 B8R1.5 CN1CCNCC1=O MCULE-9789420240 [0,0,0,0,0,1|1,0,2]=4 1150 B8R1.5 CN1CCOCC1=O MCULE-8864378597 [0,0,0,0,0,1|1,0,2]=4 1151 B8R1.5 C[N+]1=C(C=CC=C1)Br MCULE-8354837296 [0,0,0,0,0,1|2,0,1]=4 1152 B8R1.5 C[N+]1=C(C=CC=C1)Br MCULE-8682911607 [0,0,0,0,0,1|2,0,1]=4 1153 B8R1.5 C[N+]1=C(C=CC=C1)F MCULE-8489235973 [0,0,0,0,0,1|2,0,1]=4 1154 B8R1.5 C[N+]1=C(C=CC=C1)I MCULE-1957306232 [0,0,0,0,0,1|2,0,1]=4 1155 B8R1.5 C[N+]1=C(C=CC=C1)I MCULE-5977535106 [0,0,0,0,0,1|2,0,1]=4 1156 B8R1.5 C[N+]1=C(N=CC=C1)N MCULE-5441651651 [0,0,0,0,0,1|2,0,1]=4 1157 B8R1.5 C[N+]1=C(N=CC=C1)N MCULE-9638109208 [0,0,0,0,0,1|2,0,1]=4 1158 B8R1.5 C[N+]1=CC=CC=C1Cl MCULE-7258428623 [0,0,0,0,0,1|2,0,1]=4 1159 B8R1.5 C[N+]1=CC=CC=C1Cl MCULE-8638251148 [0,0,0,0,0,1|2,0,1]=4 1160 B8R1.5 C[N+]1=CC=CC=C1N MCULE-2743273539 [0,0,0,0,0,1|2,0,1]=4 1161 B8R1.5 C[N+]1=CC=CC=C1N MCULE-5842242242 [0,0,0,0,0,1|2,0,1]=4 1162 B8R1.5 NC1=CC=CNC1=O MCULE-2705834056 [0,0,0,0,0,1|3,0,0]=4 1163 B8R1.5 NC1=NC=CNC1=O MCULE-6254794637 [0,0,0,0,0,1|3,0,0]=4 1164 B8R1.5 NC1N=CC=NC1=O MCULE-9363193392 [0,0,0,0,0,1|3,0,0]=4 1165 B8R1.5 NN1C=CC=CC1=O MCULE-6844638196 [0,0,0,0,0,1|2,0,0]=3 1166 B8R1.5 O=C1C=CC=CN1O MCULE-1310193547 [0,0,0,0,0,1|2,0,0]=3 1167 B8R1.5 O=C1C=COC=C1O MCULE-7801160559 [0,0,0,0,0,1|2,1,0]=4 1168 B8R1.5 O=C1NC=CN=C1Cl MCULE-6701443640 [0,0,0,0,0,1|3,0,0]=4 1169 B8R1.5 O=C1NC=CNC1=O MCULE-2590826589 [0,0,0,0,0,1|3,0,0]=4 1170 B8R1.5 O=C1OC=CC=C1Br MCULE-5287176026 [0,0,0,0,0,1|3,0,0]=4 1171 B8R1.5 O=C1OC=CC=C1O MCULE-9890470217 [0,0,0,0,0,1|3,0,0]=4 1172 B8R1.5 ON1C=CC=CC1=S MCULE-8509311308 [0,0,0,0,0,1|2,1,0]=4 1173 B8R1.5 [O-]N1C=CC=CC1=S MCULE-2121751759 [0,0,0,0,0,1|2,1,0]=4 1174 B8R1.5 [O-]N1C=CC=CC1=S MCULE-4375573914 [0,0,0,0,0,1|2,1,0]=4 1175 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,1,0,0,0|1,0,0]=3 1176 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,1,0,0,0|2,0,0]=4 1177 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,1,0,0,0|1,0,0]=3 1178 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,1,0,0,0|2,0,0]=4 1179 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,0,1,0,0,0|2,0,0]=4 1180 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,0,1,0,0,0|2,0,0]=4 1181 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,1,0,0,0|1,0,1]=4 1182 B5R0.1 C=CCN(C)C MCULE-6958853335 [1,0,1,0,0,0|1,0,1]=4 1183 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,1,0,0,0|1,0,1]=4 1184 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,0,1,0,0,0|2,0,0]=4 1185 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,1,0,0,0|1,1,0]=4 1186 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,1,0,0,0|1,1,0]=4 1187 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,1,0,0,0|1,1,0]=4 1188 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,1,0,0,0|1,1,0]=4 1189 B5R0.1 CC(=CCS)C MCULE-4180446913 [1,0,1,0,0,0|1,0,1]=4 1190 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [1,0,1,0,0,0|1,1,0]=4 1191 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [1,0,1,0,0,0|1,1,0]=4 1192 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,0,1,0,0,0|0,1,1]=4 1193 B5R0.1 CC(=O)C=NO MCULE-5513006918 [1,0,1,0,0,0|1,1,0]=4 1194 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,1,0,0,0|1,0,0]=3 1195 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,1,0,0,0|2,0,0]=4 1196 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,1,0,0,0|1,0,0]=3 1197 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,1,0,0,0|2,0,0]=4 1198 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,1,0,0,0|0,0,2]=4 1199 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,0,1,0,0,0|1,0,0]=3 1200 B5R0.1 NC(=O)C=NO MCULE-6447662753 [1,0,1,0,0,0|1,1,0]=4 1201 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,1,0,0,0|0,0,2]=4 1202 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [1,0,1,0,0,0|2,0,0]=4 1203 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,1,0,0,0|2,0,0]=4 1204 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,1,0,0,0|2,0,0]=4 1205 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,1,0,0,0|2,0,0]=4 1206 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,1,0,0,0|2,0,0]=4 1207 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,1,0,0,0|2,0,0]=4 1208 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,1,0,0,0|2,0,0]=4 1209 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,1,0,0,0|2,0,0]=4 1210 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,1,0,0,0|2,0,0]=4 1211 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,1,0,0,0|2,0,0]=4 1212 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [1,0,1,0,0,0|2,0,0]=4 1213 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [1,0,1,0,0,0|2,0,0]=4 1214 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,0,1,0,0,0|2,0,0]=4 1215 B5R0.2 C=CCCC=O MCULE-7850336174 [1,0,1,0,0,0|2,0,0]=4 1216 B5R0.2 C=CCCNC MCULE-2124263362 [1,0,1,0,0,0|1,0,1]=4 1217 B5R0.2 C=CCCNC MCULE-5024925990 [1,0,1,0,0,0|1,0,1]=4 1218 B5R0.2 C=CCNC=O MCULE-1911798514 [1,0,1,0,0,0|1,0,0]=3 1219 B5R0.2 C=CCOC=O MCULE-4161785970 [1,0,1,0,0,0|2,0,0]=4 1220 B5R0.2 C=CCONC MCULE-4537899476 [1,0,1,0,0,0|0,1,1]=4 1221 B5R0.2 C=CCONC MCULE-9645204142 [1,0,1,0,0,0|0,1,1]=4 1222 B5R0.2 C=CCSCC MCULE-3816911529 [1,0,1,0,0,0|1,0,1]=4 1223 B5R0.2 C=CCSSC MCULE-8417830164 [1,0,1,0,0,0|1,0,1]=4 1224 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,0,1,0,0,0|1,0,0]=3 1225 B5R0.2 CC=CC=CC MCULE-7702675183 [1,0,1,0,0,0|2,0,0]=4 1226 B5R0.2 CC=CSSC MCULE-2442770677 [1,0,1,0,0,0|1,0,1]=4 1227 B5R0.2 CCC=CC=O MCULE-1318250395 [1,0,1,0,0,0|1,0,0]=3 1228 B5R0.2 CCSCC=O MCULE-8069035019 [1,0,1,0,0,0|1,0,1]=4 1229 B5R0.2 CSCCC=O MCULE-6273241704 [1,0,1,0,0,0|0,0,2]=4 1230 B5R0.2 O=CNNC=O MCULE-7634212643 [1,0,1,0,0,0|2,0,0]=4 1231 B5R0.3 C#CC(=O)NC MCULE-8852565705 [1,0,1,0,0,0|0,0,2]=4 1232 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [1,0,1,0,0,0|2,0,0]=4 1233 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,0,1,0,0,0|1,0,1]=4 1234 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [1,0,1,0,0,0|2,0,0]=4 1235 B5R0.3 C=CC(=CC)C MCULE-8585683674 [1,0,1,0,0,0|2,0,0]=4 1236 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [1,0,1,0,0,0|1,0,1]=4 1237 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,0,1,0,0,0|1,0,0]=3 1238 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,0,1,0,0,0|0,0,0]=2 1239 B5R0.3 C=CC(=O)NN MCULE-4327484127 [1,0,1,0,0,0|1,0,0]=3 1240 B5R0.3 C=CC(=O)NN MCULE-4961696321 [1,0,1,0,0,0|1,0,0]=3 1241 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,0,1,0,0,0|0,1,0]=3 1242 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,0,1,0,0,0|1,0,0]=3 1243 B5R0.3 C=CC(C)NC MCULE-1929679074 [1,0,1,0,0,0|1,0,1]=4 1244 B5R0.3 C=CC(C)NC MCULE-6382339452 [1,0,1,0,0,0|1,0,1]=4 1245 B5R0.3 CC(=CN)C=O MCULE-5507488903 [1,0,1,0,0,0|2,0,0]=4 1246 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,0,1,0,0,0|1,0,1]=4 1247 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,0,1,0,0,0|0,0,2]=4 1248 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,0,1,0,0,0|0,0,2]=4 1249 B5R0.3 CN(C=O)C=O MCULE-7774435044 [1,0,1,0,0,0|1,0,0]=3 1250 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,0,1,0,0,0|1,0,1]=4 1251 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,0,1,0,0,0|1,0,1]=4 1252 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,0,1,0,0,0|1,0,1]=4 1253 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,0,1,0,0,0|1,0,1]=4 1254 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,0,1,0,0,0|1,0,1]=4 1255 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,0,1,0,0,0|0,1,1]=4 1256 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,0,1,0,0,0|0,0,1]=3 1257 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,0,1,0,0,0|1,0,1]=4 1258 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,0,1,0,0,0|2,0,0]=4 1259 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,0,1,0,0,0|1,0,1]=4 1260 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,0,1,0,0,0|1,1,0]=4 1261 B5R0.3 COC(=O)CS MCULE-3020830180 [1,0,1,0,0,0|1,0,1]=4 1262 B5R0.3 CON(C)C=O MCULE-6743121315 [1,0,1,0,0,0|0,1,1]=4 1263 B5R0.3 NNC(=O)CS MCULE-4913925166 [1,0,1,0,0,0|1,0,1]=4 1264 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [1,0,1,0,0,0|2,0,0]=4 1265 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [1,0,1,0,0,0|1,0,1]=4 1266 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [1,0,1,0,0,0|2,0,0]=4 1267 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,0,1,0,0,0|2,0,0]=4 1268 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,0,1,0,0,0|2,0,0]=4 1269 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [1,0,1,0,0,0|2,0,0]=4 1270 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [1,0,1,0,0,0|2,0,0]=4 1271 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [1,0,1,0,0,0|2,0,0]=4 1272 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,0,1,0,0,0|1,0,1]=4 1273 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,0,1,0,0,0|0,0,2]=4 1274 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,0,1,0,0,0|1,0,1]=4 1275 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,0,1,0,0,0|2,0,0]=4 1276 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,0,1,0,0,0|2,0,0]=4 1277 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [1,0,1,0,0,0|1,0,1]=4 1278 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,0,1,0,0,0|1,0,1]=4 1279 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,0,1,0,0,0|1,0,1]=4 1280 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [1,0,1,0,0,0|1,0,1]=4 1281 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,0,1,0,0,0|2,0,0]=4 1282 B5R1.1 C1=CCC=C1 MCULE-1776679581 [2,0,0,0,0,0|2,0,0]=4 1283 B5R1.1 C1=CCNC1 MCULE-4645888757 [2,0,0,0,0,0|1,0,1]=4 1284 B5R1.1 C1=CCNC1 MCULE-7386427096 [2,0,0,0,0,0|1,0,1]=4 1285 B5R1.1 C1=CCSC1 MCULE-7848219599 [2,0,0,0,0,0|1,0,1]=4 1286 B5R1.1 C1=CNC=C1 MCULE-7417495535 [2,0,0,0,0,0|1,0,0]=3 1287 B5R1.1 C1=CNC=N1 MCULE-1256901064 [2,0,0,0,0,0|2,0,0]=4 1288 B5R1.1 C1=CNC=N1 MCULE-1410806694 [2,0,0,0,0,0|2,0,0]=4 1289 B5R1.1 C1=CNC=N1 MCULE-5649243123 [2,0,0,0,0,0|2,0,0]=4 1290 B5R1.1 C1=CNC=N1 MCULE-6335507586 [2,0,0,0,0,0|2,0,0]=4 1291 B5R1.1 C1=CNN=C1 MCULE-9342475145 [2,0,0,0,0,0|1,0,0]=3 1292 B5R1.1 C1=CNN=N1 MCULE-9027372824 [2,0,0,0,0,0|2,0,0]=4 1293 B5R1.1 C1=COC=C1 MCULE-6076190179 [2,0,0,0,0,0|1,1,0]=4 1294 B5R1.1 C1=CON=C1 MCULE-4177650025 [2,0,0,0,0,0|0,1,1]=4 1295 B5R1.1 C1=CSC=C1 MCULE-5759025979 [2,0,0,0,0,0|1,0,0]=3 1296 B5R1.1 C1=CSC=N1 MCULE-2839580990 [2,0,0,0,0,0|2,0,0]=4 1297 B5R1.1 C1=CSN=C1 MCULE-7711497319 [2,0,0,0,0,0|0,0,1]=3 1298 B5R1.1 C1=C[Se]C=C1 MCULE-2438977476 [2,0,0,0,0,0|1,1,0]=4 1299 B5R1.1 C1=NC=NN1 MCULE-3522189420 [2,0,0,0,0,0|2,0,0]=4 1300 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,1,0,0,0|2,0,0]=4 1301 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,1,1,0,0,0|1,1,0]=4 1302 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [0,1,1,0,0,0|1,0,1]=4 1303 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [0,1,1,0,0,0|1,0,1]=4 1304 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,1,0,0,0|0,1,1]=4 1305 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,1,0,0,0|0,1,1]=4 1306 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [0,1,1,0,0,0|0,0,2]=4 1307 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,1,1,0,0,0|1,1,0]=4 1308 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,1,1,0,0,0|1,1,0]=4 1309 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,1,1,0,0,0|2,0,0]=4 1310 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,1,1,0,0,0|2,0,0]=4 1311 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,1,1,0,0,0|2,0,0]=4 1312 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,1,1,0,0,0|2,0,0]=4 1313 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,1,1,0,0,0|1,1,0]=4 1314 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,1,1,0,0,0|1,1,0]=4 1315 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [0,1,1,0,0,0|2,0,0]=4 1316 B7R0.3 C=CC=CC(=O)OC MCULE-1940821537 [0,1,1,0,0,0|2,0,0]=4 1317 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [0,1,1,0,0,0|1,0,1]=4 1318 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [0,1,1,0,0,0|2,0,0]=4 1319 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [0,1,1,0,0,0|2,0,0]=4 1320 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [0,1,1,0,0,0|1,1,0]=4 1321 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [0,1,1,0,0,0|1,1,0]=4 1322 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [0,1,1,0,0,0|2,0,0]=4 1323 B7R0.3 CNC(=O)C=CCN MCULE-3646722223 [0,1,1,0,0,0|1,0,0]=3 1324 B7R0.3 CNC(=O)C=CCN MCULE-6988679780 [0,1,1,0,0,0|1,0,0]=3 1325 B7R0.3 CO/C=C/C(=O)OC MCULE-8858181328 [0,1,1,0,0,0|1,1,0]=4 1326 B7R0.3 COC(=O)/C=C/CBr MCULE-5511432414 [0,1,1,0,0,0|2,0,0]=4 1327 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [0,1,1,0,0,0|2,0,0]=4 1328 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [0,1,1,0,0,0|2,0,0]=4 1329 B7R0.3 COC(=O)/C=C\CBr MCULE-5925439397 [0,1,1,0,0,0|2,0,0]=4 1330 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [0,1,1,0,0,0|1,1,0]=4 1331 B7R0.3 COC(=O)C=CCBr MCULE-1558782396 [0,1,1,0,0,0|2,0,0]=4 1332 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [0,1,1,0,0,0|2,0,0]=4 1333 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [0,1,1,0,0,0|2,0,0]=4 1334 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [0,1,1,0,0,0|2,0,0]=4 1335 B7R0.3 COC=CC(=O)OC MCULE-3167643214 [0,1,1,0,0,0|1,1,0]=4 1336 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [0,1,1,0,0,0|2,0,0]=4 1337 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,1,1,0,0,0|2,0,0]=4 1338 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,1,1,0,0,0|2,0,0]=4 1339 B7R0.5 C=CCN(C)C(=O)N MCULE-1459320786 [0,1,1,0,0,0|1,0,0]=3 1340 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [0,1,1,0,0,0|2,0,0]=4 1341 B7R0.7 C=CCN(C)CC=C MCULE-5051481912 [0,1,1,0,0,0|2,0,0]=4 1342 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [0,1,1,0,0,0|2,0,0]=4 1343 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [0,1,1,0,0,0|2,0,0]=4 1344 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [0,1,1,0,0,0|1,1,0]=4 1345 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [0,1,1,0,0,0|1,1,0]=4 1346 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [0,1,1,0,0,0|2,0,0]=4 1347 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [0,1,1,0,0,0|2,0,0]=4 1348 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,1,1,0,0,0|2,0,0]=4 1349 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [0,1,1,0,0,0|2,0,0]=4 1350 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [0,1,1,0,0,0|2,0,0]=4 1351 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [0,1,1,0,0,0|1,1,0]=4 1352 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [0,1,1,0,0,0|1,1,0]=4 1353 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [0,1,1,0,0,0|2,0,0]=4 1354 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [0,1,1,0,0,0|2,0,0]=4 1355 B7R0.10 CC=C(Br)C(=O)OC MCULE-8210439839 [0,1,1,0,0,0|2,0,0]=4 1356 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [0,1,1,0,0,0|2,0,0]=4 1357 B7R0.10 CNC(=O)/C(=N/O)/N MCULE-4165941405 [0,1,1,0,0,0|1,1,0]=4 1358 B7R0.10 CNC(=O)C(=NO)C MCULE-5419636892 [0,1,1,0,0,0|1,1,0]=4 1359 B7R0.10 CNC(=O)C(=O)NC MCULE-5993874240 [0,1,1,0,0,0|2,0,0]=4 1360 B7R0.10 CNC(=O)C(=O)OC MCULE-1771479923 [0,1,1,0,0,0|2,0,0]=4 1361 B7R0.10 COC(=O)/C(=C/Br)/C MCULE-9213242172 [0,1,1,0,0,0|2,0,0]=4 1362 B7R0.10 COC(=O)/C(=C/Cl)/Cl MCULE-7181141754 [0,1,1,0,0,0|2,0,0]=4 1363 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-5795286951 [0,1,1,0,0,0|1,1,0]=4 1364 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-6102470934 [0,1,1,0,0,0|1,1,0]=4 1365 B7R0.10 COC(=O)C(=CBr)C MCULE-2452279572 [0,1,1,0,0,0|2,0,0]=4 1366 B7R0.11 C=CCC(C)(C)C=O MCULE-7775740469 [0,1,1,0,0,0|2,0,0]=4 1367 B7R0.13 C=CS(=O)(=O)N(C)C MCULE-1367300804 [0,1,1,0,0,0|2,0,0]=4 1368 B7R0.14 C=CC(=O)C(C)(C)C MCULE-2078206387 [0,1,1,0,0,0|2,0,0]=4 1369 B7R0.16 C=C(C)C(=O)C(C)C MCULE-6219149152 [0,1,1,0,0,0|2,0,0]=4 1370 B7R0.16 C=C(C)C(=O)N(C)C MCULE-5921699549 [0,1,1,0,0,0|1,0,0]=3 1371 B7R0.16 CC(=O)C(=O)N(C)C MCULE-9467983911 [0,1,1,0,0,0|1,0,1]=4 1372 B7R0.16 CN(C)C(=O)C(=O)O MCULE-4063274840 [0,1,1,0,0,0|2,0,0]=4 1373 B7R0.1 CCC=CC=CC=O MCULE-2064802795 [0,1,1,0,0,0|2,0,0]=4 1374 B7R0.1 CCCC/C=C/C=O MCULE-1260131686 [0,1,1,0,0,0|2,0,0]=4 1375 B7R0.1 CCCCC=CC=O MCULE-6776317009 [0,1,1,0,0,0|2,0,0]=4 1376 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,1,1,0,0,0|2,0,0]=4 1377 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [0,1,1,0,0,0|2,0,0]=4 1378 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-2438491537 [0,1,1,0,0,0|2,0,0]=4 1379 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-8550303604 [0,1,1,0,0,0|2,0,0]=4 1380 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [0,1,1,0,0,0|2,0,0]=4 1381 B7R0.4 CC=CC=CC(=O)C MCULE-1781846029 [0,1,1,0,0,0|2,0,0]=4 1382 B7R0.4 CC=CC=CC(=O)Cl MCULE-7711381941 [0,1,1,0,0,0|2,0,0]=4 1383 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [0,1,1,0,0,0|2,0,0]=4 1384 B7R0.4 CC=CC=CC(=O)[O-] MCULE-4983552708 [0,1,1,0,0,0|2,0,0]=4 1385 B7R0.4 CC=CC=CC(=O)[O-] MCULE-7794252065 [0,1,1,0,0,0|2,0,0]=4 1386 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,1,1,0,0,0|2,0,0]=4 1387 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,1,1,0,0,0|2,0,0]=4 1388 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [0,1,1,0,0,0|2,0,0]=4 1389 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,1,1,0,0,0|2,0,0]=4 1390 B7R0.4 CCO/C=C/C(=O)Cl MCULE-5623807124 [0,1,1,0,0,0|1,1,0]=4 1391 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,1,1,0,0,0|1,1,0]=4 1392 B7R0.4 CCOC=CC(=O)Cl MCULE-1242349133 [0,1,1,0,0,0|1,1,0]=4 1393 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,1,1,0,0,0|1,1,0]=4 1394 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,1,1,0,0,0|2,0,0]=4 1395 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,1,1,0,0,0|2,0,0]=4 1396 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,1,1,0,0,0|2,0,0]=4 1397 B7R1.1 BrCC1=CC=CO1 MCULE-5096860465 [1,1,0,0,0,0|1,1,0]=4 1398 B7R1.1 BrCC1=CC=CS1 MCULE-6293280067 [1,1,0,0,0,0|1,0,0]=3 1399 B7R1.1 BrCC1=CC=NS1 MCULE-3188918692 [1,1,0,0,0,0|2,0,0]=4 1400 B7R1.1 BrCC1=CN=CS1 MCULE-3631618485 [1,1,0,0,0,0|2,0,0]=4 1401 B7R1.1 BrCC1=CN=CS1 MCULE-4222086494 [1,1,0,0,0,0|2,0,0]=4 1402 B7R1.1 BrCC1=CSC=C1 MCULE-1765288837 [1,1,0,0,0,0|2,0,0]=4 1403 B7R1.1 BrCC1=NC=CS1 MCULE-2352863122 [1,1,0,0,0,0|2,0,0]=4 1404 B7R1.1 BrCC1=NC=CS1 MCULE-5186135822 [1,1,0,0,0,0|2,0,0]=4 1405 B7R1.1 BrCC1=NSC=C1 MCULE-8503387099 [1,1,0,0,0,0|1,0,1]=4 1406 B7R1.1 BrCN1C=CC=N1 MCULE-4725249683 [1,1,0,0,0,0|1,0,0]=3 1407 B7R1.1 BrCN1C=CC=N1 MCULE-6011179701 [1,1,0,0,0,0|1,0,0]=3 1408 B7R1.1 C#CC1=CC=CN1 MCULE-9413657940 [1,1,0,0,0,0|2,0,0]=4 1409 B7R1.1 C#CC1=CC=CS1 MCULE-5617128233 [1,1,0,0,0,0|1,0,1]=4 1410 B7R1.1 C#CC1=CSC=C1 MCULE-7658927383 [1,1,0,0,0,0|2,0,0]=4 1411 B7R1.1 C#CN1C=CC=C1 MCULE-3238559982 [1,1,0,0,0,0|1,0,1]=4 1412 B7R1.1 C=CC1=CC=CS1 MCULE-8257886217 [1,1,0,0,0,0|1,0,1]=4 1413 B7R1.1 C=CC1=CSC=C1 MCULE-7392660446 [1,1,0,0,0,0|2,0,0]=4 1414 B7R1.1 C=CN1C=CC=N1 MCULE-4783002357 [1,1,0,0,0,0|1,0,1]=4 1415 B7R1.1 CCC1=CC=CN1 MCULE-9168935708 [1,1,0,0,0,0|2,0,0]=4 1416 B7R1.1 CCC1=CC=CO1 MCULE-6819919667 [1,1,0,0,0,0|1,1,0]=4 1417 B7R1.1 CCC1=CC=CS1 MCULE-1811294638 [1,1,0,0,0,0|1,0,0]=3 1418 B7R1.1 CCC1=CSC=C1 MCULE-7192433774 [1,1,0,0,0,0|2,0,0]=4 1419 B7R1.1 CCC1=NC=CS1 MCULE-6172218863 [1,1,0,0,0,0|2,0,0]=4 1420 B7R1.1 CCN1C=CC=C1 MCULE-7636090544 [1,1,0,0,0,0|1,0,0]=3 1421 B7R1.1 CCN1C=CC=N1 MCULE-3243448790 [1,1,0,0,0,0|1,0,0]=3 1422 B7R1.1 CCN1C=CN=C1 MCULE-1925854308 [1,1,0,0,0,0|2,0,0]=4 1423 B7R1.1 CCN1C=CN=N1 MCULE-6925302885 [1,1,0,0,0,0|2,0,0]=4 1424 B7R1.1 CCN1C=NC=N1 MCULE-3982535071 [1,1,0,0,0,0|2,0,0]=4 1425 B7R1.1 CNC1=CC=CS1 MCULE-4218853022 [1,1,0,0,0,0|1,0,0]=3 1426 B7R1.1 CNC1=CC=NN1 MCULE-8114468592 [1,1,0,0,0,0|2,0,0]=4 1427 B7R1.1 CNC1=CSC=C1 MCULE-1287628025 [1,1,0,0,0,0|2,0,0]=4 1428 B7R1.1 CNC1=CSC=C1 MCULE-5325332143 [1,1,0,0,0,0|2,0,0]=4 1429 B7R1.1 CNC1=NC=CS1 MCULE-8467756988 [1,1,0,0,0,0|2,0,0]=4 1430 B7R1.1 COC1=CC=CO1 MCULE-4991744131 [1,1,0,0,0,0|1,1,0]=4 1431 B7R1.1 COC1=CC=CS1 MCULE-9593910029 [1,1,0,0,0,0|1,0,0]=3 1432 B7R1.1 COC1=CSC=C1 MCULE-3476811638 [1,1,0,0,0,0|1,0,1]=4 1433 B7R1.1 COC1=NC=CS1 MCULE-3994738925 [1,1,0,0,0,0|2,0,0]=4 1434 B7R1.1 COC1=NSC=C1 MCULE-5378872433 [1,1,0,0,0,0|0,0,2]=4 1435 B7R1.1 CSC1=CC=CO1 MCULE-6438587509 [1,1,0,0,0,0|1,1,0]=4 1436 B7R1.1 CSC1=CC=CS1 MCULE-7026431414 [1,1,0,0,0,0|1,0,0]=3 1437 B7R1.1 CSC1=CSC=C1 MCULE-2498616036 [1,1,0,0,0,0|1,1,0]=4 1438 B7R1.1 CSC1=NC=CS1 MCULE-2725106891 [1,1,0,0,0,0|2,0,0]=4 1439 B7R1.1 ClCC1=CC=CO1 MCULE-2683635266 [1,1,0,0,0,0|1,1,0]=4 1440 B7R1.1 ClCC1=CC=CS1 MCULE-8332782682 [1,1,0,0,0,0|1,0,0]=3 1441 B7R1.1 ClCC1=CC=NS1 MCULE-1735467564 [1,1,0,0,0,0|2,0,0]=4 1442 B7R1.1 ClCC1=CN=CS1 MCULE-5872272362 [1,1,0,0,0,0|2,0,0]=4 1443 B7R1.1 ClCC1=CN=CS1 MCULE-9125524736 [1,1,0,0,0,0|2,0,0]=4 1444 B7R1.1 ClCC1=CSC=C1 MCULE-7066080407 [1,1,0,0,0,0|2,0,0]=4 1445 B7R1.1 ClCC1=NC=CS1 MCULE-1185780356 [1,1,0,0,0,0|2,0,0]=4 1446 B7R1.1 ClCC1=NC=CS1 MCULE-4939629994 [1,1,0,0,0,0|2,0,0]=4 1447 B7R1.1 ClCC1=NSC=C1 MCULE-6780613233 [1,1,0,0,0,0|1,0,1]=4 1448 B7R1.1 ClCN1C=CC=N1 MCULE-1905851399 [1,1,0,0,0,0|1,0,0]=3 1449 B7R1.1 ClCN1C=CC=N1 MCULE-5068940089 [1,1,0,0,0,0|1,0,0]=3 1450 B7R1.1 ClCN1C=NC=N1 MCULE-4822959081 [1,1,0,0,0,0|2,0,0]=4 1451 B7R1.1 ClCN1C=NC=N1 MCULE-6448270020 [1,1,0,0,0,0|2,0,0]=4 1452 B7R1.1 ClCN1N=CC=N1 MCULE-1609508097 [1,1,0,0,0,0|2,0,0]=4 1453 B7R1.1 ICC1=CC=CO1 MCULE-7510696289 [1,1,0,0,0,0|1,1,0]=4 1454 B7R1.1 N#CC1=CC=CN1 MCULE-6899253259 [1,1,0,0,0,0|2,0,0]=4 1455 B7R1.1 N#CC1=CC=CS1 MCULE-7011229152 [1,1,0,0,0,0|1,0,1]=4 1456 B7R1.1 N#CC1=CSC=C1 MCULE-1574699882 [1,1,0,0,0,0|2,0,0]=4 1457 B7R1.1 N#CC1=NSC=C1 MCULE-8132950693 [1,1,0,0,0,0|1,0,1]=4 1458 B7R1.1 NCC1=CC=CN1 MCULE-3221298054 [1,1,0,0,0,0|2,0,0]=4 1459 B7R1.1 NCC1=CC=CN1 MCULE-5686156853 [1,1,0,0,0,0|2,0,0]=4 1460 B7R1.1 NCC1=CC=CO1 MCULE-3035218209 [1,1,0,0,0,0|1,1,0]=4 1461 B7R1.1 NCC1=CC=CO1 MCULE-8280847881 [1,1,0,0,0,0|1,1,0]=4 1462 B7R1.1 NCC1=CC=CS1 MCULE-5730076896 [1,1,0,0,0,0|1,0,0]=3 1463 B7R1.1 NCC1=CC=CS1 MCULE-5815289362 [1,1,0,0,0,0|1,0,0]=3 1464 B7R1.1 NCC1=CC=NN1 MCULE-2352502395 [1,1,0,0,0,0|2,0,0]=4 1465 B7R1.1 NCC1=CC=NN1 MCULE-7934942905 [1,1,0,0,0,0|2,0,0]=4 1466 B7R1.1 NCC1=CC=NN1 MCULE-9469121087 [1,1,0,0,0,0|2,0,0]=4 1467 B7R1.1 NCC1=CC=NS1 MCULE-2457899011 [1,1,0,0,0,0|2,0,0]=4 1468 B7R1.1 NCC1=CC=NS1 MCULE-8286613579 [1,1,0,0,0,0|2,0,0]=4 1469 B7R1.1 NCC1=CC=NS1 MCULE-9144560486 [1,1,0,0,0,0|2,0,0]=4 1470 B7R1.1 NCC1=CN=CS1 MCULE-1195188698 [1,1,0,0,0,0|2,0,0]=4 1471 B7R1.1 NCC1=CN=CS1 MCULE-3436822675 [1,1,0,0,0,0|2,0,0]=4 1472 B7R1.1 NCC1=CN=CS1 MCULE-4212339163 [1,1,0,0,0,0|2,0,0]=4 1473 B7R1.1 NCC1=CN=CS1 MCULE-8576407401 [1,1,0,0,0,0|2,0,0]=4 1474 B7R1.1 NCC1=CSC=C1 MCULE-1358443205 [1,1,0,0,0,0|2,0,0]=4 1475 B7R1.1 NCC1=CSC=C1 MCULE-7400311305 [1,1,0,0,0,0|2,0,0]=4 1476 B7R1.1 NCC1=NC=CS1 MCULE-2850974677 [1,1,0,0,0,0|2,0,0]=4 1477 B7R1.1 NCC1=NC=CS1 MCULE-5132159035 [1,1,0,0,0,0|2,0,0]=4 1478 B7R1.1 NCC1=NC=CS1 MCULE-6824522664 [1,1,0,0,0,0|2,0,0]=4 1479 B7R1.1 NCC1=NSC=C1 MCULE-1665275335 [1,1,0,0,0,0|1,0,1]=4 1480 B7R1.1 NCC1=NSC=C1 MCULE-4779946656 [1,1,0,0,0,0|1,0,1]=4 1481 B7R1.1 NNC1=CC=CS1 MCULE-3379720556 [1,1,0,0,0,0|2,0,0]=4 1482 B7R1.1 NNC1=CC=CS1 MCULE-7128663353 [1,1,0,0,0,0|2,0,0]=4 1483 B7R1.1 NOC1=CC=CS1 MCULE-4858455315 [1,1,0,0,0,0|2,0,0]=4 1484 B7R1.1 NOC1=CC=CS1 MCULE-9161289584 [1,1,0,0,0,0|2,0,0]=4 1485 B7R1.1 O=CC1=CC=CN1 MCULE-4586543663 [1,1,0,0,0,0|1,0,0]=3 1486 B7R1.1 O=CC1=CC=CO1 MCULE-5757882837 [1,1,0,0,0,0|2,0,0]=4 1487 B7R1.1 O=CC1=CC=CS1 MCULE-8254409353 [1,1,0,0,0,0|1,0,1]=4 1488 B7R1.1 O=CC1=CC=C[Se]1 MCULE-2409744709 [1,1,0,0,0,0|2,0,0]=4 1489 B7R1.1 O=CC1=CC=NO1 MCULE-9603824695 [1,1,0,0,0,0|2,0,0]=4 1490 B7R1.1 O=CC1=CC=NS1 MCULE-1236687243 [1,1,0,0,0,0|2,0,0]=4 1491 B7R1.1 O=CC1=CCSC1 MCULE-9591036145 [1,1,0,0,0,0|1,0,1]=4 1492 B7R1.1 O=CC1=CN=CN1 MCULE-5099904928 [1,1,0,0,0,0|2,0,0]=4 1493 B7R1.1 O=CC1=CNC=C1 MCULE-2454944558 [1,1,0,0,0,0|2,0,0]=4 1494 B7R1.1 O=CC1=COC=C1 MCULE-4433731812 [1,1,0,0,0,0|1,1,0]=4 1495 B7R1.1 O=CC1=CSC=C1 MCULE-4096224591 [1,1,0,0,0,0|1,0,0]=3 1496 B7R1.1 O=CC1=CSC=N1 MCULE-9225156161 [1,1,0,0,0,0|2,0,0]=4 1497 B7R1.1 O=CC1=CSN=C1 MCULE-8193875899 [1,1,0,0,0,0|2,0,0]=4 1498 B7R1.1 O=CC1=NC=CN1 MCULE-7353417190 [1,1,0,0,0,0|2,0,0]=4 1499 B7R1.1 O=CC1=NC=NN1 MCULE-7343959266 [1,1,0,0,0,0|2,0,0]=4 1500 B7R1.1 O=CC1=NNC=C1 MCULE-5970837649 [1,1,0,0,0,0|1,0,1]=4 1501 B7R1.1 O=CC1=NOC=C1 MCULE-6315054980 [1,1,0,0,0,0|0,1,1]=4 1502 B7R1.1 O=CC1=NSC=C1 MCULE-2006644927 [1,1,0,0,0,0|0,0,1]=3 1503 B7R1.1 O=CC1=NSN=C1 MCULE-4602428363 [1,1,0,0,0,0|1,0,1]=4 1504 B7R1.1 O=S=C1NC=CO1 MCULE-4980537256 [1,1,0,0,0,0|2,0,0]=4 1505 B7R1.1 OCC1=CC=CN1 MCULE-5325446270 [1,1,0,0,0,0|1,0,1]=4 1506 B7R1.1 OCC1=CC=CO1 MCULE-4977977402 [1,1,0,0,0,0|1,1,0]=4 1507 B7R1.1 OCC1=CC=CS1 MCULE-8365761000 [1,1,0,0,0,0|1,0,0]=3 1508 B7R1.1 OCC1=CC=NN1 MCULE-9206734976 [1,1,0,0,0,0|1,0,1]=4 1509 B7R1.1 OCC1=CC=NS1 MCULE-5309327051 [1,1,0,0,0,0|2,0,0]=4 1510 B7R1.1 OCC1=CN=CS1 MCULE-7378624461 [1,1,0,0,0,0|2,0,0]=4 1511 B7R1.1 OCC1=CSC=C1 MCULE-5715575511 [1,1,0,0,0,0|1,0,1]=4 1512 B7R1.1 OCC1=NC=CS1 MCULE-1365703098 [1,1,0,0,0,0|2,0,0]=4 1513 B7R1.1 OCC1=NC=CS1 MCULE-6771352555 [1,1,0,0,0,0|2,0,0]=4 1514 B7R1.1 OCC1=NSC=C1 MCULE-8963767199 [1,1,0,0,0,0|0,0,2]=4 1515 B7R1.1 OCN1C=CC=N1 MCULE-9665267248 [1,1,0,0,0,0|1,0,0]=3 1516 B7R1.1 OCN1C=CN=C1 MCULE-2697787926 [1,1,0,0,0,0|2,0,0]=4 1517 B7R1.1 OCN1C=NC=N1 MCULE-4098360190 [1,1,0,0,0,0|2,0,0]=4 1518 B7R1.1 SCC1=CC=CO1 MCULE-3419389361 [1,1,0,0,0,0|1,1,0]=4 1519 B7R1.1 SCC1=CC=CS1 MCULE-8555593113 [1,1,0,0,0,0|1,0,0]=3 1520 B7R1.1 SCC1=NC=CS1 MCULE-6508521215 [1,1,0,0,0,0|2,0,0]=4 1521 B7R1.2 BrC1=CC(=NN1)Br MCULE-1907873487 [1,1,0,0,0,0|2,0,0]=4 1522 B7R1.2 BrC1=CC=C(S1)Br MCULE-6862608005 [1,1,0,0,0,0|2,0,0]=4 1523 B7R1.2 BrC1=CC=C(S1)I MCULE-4509876949 [1,1,0,0,0,0|2,0,0]=4 1524 B7R1.2 BrC1=CSC(=C1)Br MCULE-3719103465 [1,1,0,0,0,0|2,0,0]=4 1525 B7R1.2 BrC1=CSC(=C1)I MCULE-3658414856 [1,1,0,0,0,0|2,0,0]=4 1526 B7R1.2 BrC1=NNC(=C1)I MCULE-7766040305 [1,1,0,0,0,0|2,0,0]=4 1527 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [1,1,0,0,0,0|2,0,0]=4 1528 B7R1.2 CC1=CC(=CO1)Br MCULE-1365881695 [1,1,0,0,0,0|1,1,0]=4 1529 B7R1.2 CC1=CC(=CS1)Br MCULE-9701843608 [1,1,0,0,0,0|1,0,0]=3 1530 B7R1.2 CC1=CC(=CS1)Cl MCULE-1661832667 [1,1,0,0,0,0|1,0,0]=3 1531 B7R1.2 CC1=CC(=CS1)N MCULE-4677626148 [1,1,0,0,0,0|1,0,0]=3 1532 B7R1.2 CC1=CC(=CS1)N MCULE-4954759044 [1,1,0,0,0,0|1,0,0]=3 1533 B7R1.2 CC1=CC(=NN1)Br MCULE-1516612696 [1,1,0,0,0,0|2,0,0]=4 1534 B7R1.2 CC1=CC(=NN1)C MCULE-4873265902 [1,1,0,0,0,0|2,0,0]=4 1535 B7R1.2 CC1=CC(=NN1)C MCULE-8100496522 [1,1,0,0,0,0|2,0,0]=4 1536 B7R1.2 CC1=CC(=NN1)F MCULE-1447632064 [1,1,0,0,0,0|2,0,0]=4 1537 B7R1.2 CC1=CC(=NN1)F MCULE-6096639447 [1,1,0,0,0,0|2,0,0]=4 1538 B7R1.2 CC1=CC(=NN1)I MCULE-9212614137 [1,1,0,0,0,0|2,0,0]=4 1539 B7R1.2 CC1=CC(=NS1)N MCULE-2006841208 [1,1,0,0,0,0|1,0,1]=4 1540 B7R1.2 CC1=CC(=NS1)N MCULE-5644544748 [1,1,0,0,0,0|1,0,1]=4 1541 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,1,0,0,0,0|2,0,0]=4 1542 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [1,1,0,0,0,0|1,1,0]=4 1543 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [1,1,0,0,0,0|1,0,1]=4 1544 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [1,1,0,0,0,0|0,1,0]=3 1545 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [1,1,0,0,0,0|2,0,0]=4 1546 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [1,1,0,0,0,0|2,0,0]=4 1547 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [1,1,0,0,0,0|2,0,0]=4 1548 B7R1.2 CC1=CC=C(O1)Br MCULE-2815956180 [1,1,0,0,0,0|1,1,0]=4 1549 B7R1.2 CC1=CC=C(O1)C MCULE-2776549830 [1,1,0,0,0,0|1,1,0]=4 1550 B7R1.2 CC1=CC=C(O1)N MCULE-5583871788 [1,1,0,0,0,0|1,1,0]=4 1551 B7R1.2 CC1=CC=C(S1)Br MCULE-9870970320 [1,1,0,0,0,0|1,0,0]=3 1552 B7R1.2 CC1=CC=C(S1)C MCULE-6651491312 [1,1,0,0,0,0|1,0,0]=3 1553 B7R1.2 CC1=CC=C(S1)C MCULE-7283016932 [1,1,0,0,0,0|1,0,0]=3 1554 B7R1.2 CC1=CC=C(S1)Cl MCULE-9463412923 [1,1,0,0,0,0|1,0,0]=3 1555 B7R1.2 CC1=CC=C(S1)I MCULE-3339364572 [1,1,0,0,0,0|1,0,0]=3 1556 B7R1.2 CC1=CC=C(S1)N MCULE-1672887913 [1,1,0,0,0,0|1,0,0]=3 1557 B7R1.2 CC1=CC=C(S1)N MCULE-4947745341 [1,1,0,0,0,0|1,0,0]=3 1558 B7R1.2 CC1=CC=C(S1)O MCULE-7587913788 [1,1,0,0,0,0|1,0,0]=3 1559 B7R1.2 CC1=CC=C(S1)S MCULE-9072205252 [1,1,0,0,0,0|1,0,0]=3 1560 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [1,1,0,0,0,0|1,0,1]=4 1561 B7R1.2 CC1=CN(C=N1)C MCULE-2469544518 [1,1,0,0,0,0|2,0,0]=4 1562 B7R1.2 CC1=CN(N=C1)C MCULE-7303683364 [1,1,0,0,0,0|1,0,0]=3 1563 B7R1.2 CC1=CN(N=N1)C MCULE-6586051343 [1,1,0,0,0,0|2,0,0]=4 1564 B7R1.2 CC1=CN=C(S1)Br MCULE-5024376122 [1,1,0,0,0,0|2,0,0]=4 1565 B7R1.2 CC1=CN=C(S1)C MCULE-9725720944 [1,1,0,0,0,0|2,0,0]=4 1566 B7R1.2 CC1=CN=C(S1)Cl MCULE-4868939891 [1,1,0,0,0,0|2,0,0]=4 1567 B7R1.2 CC1=CN=C(S1)I MCULE-2496302523 [1,1,0,0,0,0|2,0,0]=4 1568 B7R1.2 CC1=CN=C(S1)N MCULE-5408259983 [1,1,0,0,0,0|2,0,0]=4 1569 B7R1.2 CC1=CN=C(S1)N MCULE-8973432865 [1,1,0,0,0,0|2,0,0]=4 1570 B7R1.2 CC1=CN=C(S1)O MCULE-4228024619 [1,1,0,0,0,0|2,0,0]=4 1571 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [1,1,0,0,0,0|2,0,0]=4 1572 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [1,1,0,0,0,0|2,0,0]=4 1573 B7R1.2 CC1=COC(=C1)C MCULE-9104872009 [1,1,0,0,0,0|1,1,0]=4 1574 B7R1.2 CC1=CSC(=C1)Br MCULE-1301546959 [1,1,0,0,0,0|2,0,0]=4 1575 B7R1.2 CC1=CSC(=C1)C MCULE-9938369670 [1,1,0,0,0,0|1,0,0]=3 1576 B7R1.2 CC1=CSC(=C1)Cl MCULE-8287471659 [1,1,0,0,0,0|2,0,0]=4 1577 B7R1.2 CC1=CSC(=C1)N MCULE-6517545234 [1,1,0,0,0,0|2,0,0]=4 1578 B7R1.2 CC1=CSC(=C1)N MCULE-8640058932 [1,1,0,0,0,0|2,0,0]=4 1579 B7R1.2 CC1=CSC(=C1)O MCULE-1324476521 [1,1,0,0,0,0|2,0,0]=4 1580 B7R1.2 CC1=CSC(=N1)C MCULE-2033387460 [1,1,0,0,0,0|2,0,0]=4 1581 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [1,1,0,0,0,0|2,0,0]=4 1582 B7R1.2 CC1=NC(=CS1)Br MCULE-7210746643 [1,1,0,0,0,0|2,0,0]=4 1583 B7R1.2 CC1=NC(=CS1)N MCULE-3086911944 [1,1,0,0,0,0|2,0,0]=4 1584 B7R1.2 CC1=NC(=CS1)N MCULE-4543325094 [1,1,0,0,0,0|2,0,0]=4 1585 B7R1.2 CC1=NC(=CS1)O MCULE-2657600711 [1,1,0,0,0,0|2,0,0]=4 1586 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [1,1,0,0,0,0|2,0,0]=4 1587 B7R1.2 CC1=NC=C(S1)Br MCULE-7258487155 [1,1,0,0,0,0|2,0,0]=4 1588 B7R1.2 CC1=NC=C(S1)Cl MCULE-5653448054 [1,1,0,0,0,0|2,0,0]=4 1589 B7R1.2 CC1=NC=C(S1)I MCULE-1452945094 [1,1,0,0,0,0|2,0,0]=4 1590 B7R1.2 CC1=NC=C(S1)N MCULE-2117348978 [1,1,0,0,0,0|2,0,0]=4 1591 B7R1.2 CC1=NC=C(S1)N MCULE-3448900159 [1,1,0,0,0,0|2,0,0]=4 1592 B7R1.2 CC1=NN(C=C1)C MCULE-4991402354 [1,1,0,0,0,0|1,0,0]=3 1593 B7R1.2 CC1=NN(N=C1)C MCULE-4169729723 [1,1,0,0,0,0|2,0,0]=4 1594 B7R1.2 CC1=NNC(=C1)Cl MCULE-9047691966 [1,1,0,0,0,0|2,0,0]=4 1595 B7R1.2 CC1=NNC(=C1)I MCULE-7626013113 [1,1,0,0,0,0|2,0,0]=4 1596 B7R1.2 CC1=NNC(=C1)N MCULE-5982415678 [1,1,0,0,0,0|2,0,0]=4 1597 B7R1.2 CC1=NNC(=C1)N MCULE-8265446300 [1,1,0,0,0,0|2,0,0]=4 1598 B7R1.2 CC1=NNC(=C1)N MCULE-8755398394 [1,1,0,0,0,0|2,0,0]=4 1599 B7R1.2 CC1=NNC(=C1)O MCULE-6802545425 [1,1,0,0,0,0|1,0,1]=4 1600 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [1,1,0,0,0,0|1,0,1]=4 1601 B7R1.2 CC1=NSC(=C1)Br MCULE-5311430268 [1,1,0,0,0,0|1,0,1]=4 1602 B7R1.2 CC1=NSC(=C1)Cl MCULE-3765249333 [1,1,0,0,0,0|1,0,1]=4 1603 B7R1.2 CC1=NSC(=C1)I MCULE-9076472601 [1,1,0,0,0,0|1,0,1]=4 1604 B7R1.2 CC1=NSC(=C1)N MCULE-1333657417 [1,1,0,0,0,0|1,0,1]=4 1605 B7R1.2 CC1=NSC(=C1)N MCULE-4917388600 [1,1,0,0,0,0|1,0,1]=4 1606 B7R1.2 CC1=NSC(=C1)N MCULE-8270730297 [1,1,0,0,0,0|1,0,1]=4 1607 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [1,1,0,0,0,0|1,1,0]=4 1608 B7R1.2 CN1C=C(C=N1)Br MCULE-1777078366 [1,1,0,0,0,0|1,0,0]=3 1609 B7R1.2 CN1C=C(C=N1)Cl MCULE-7422425633 [1,1,0,0,0,0|1,0,0]=3 1610 B7R1.2 CN1C=C(C=N1)F MCULE-3479168229 [1,1,0,0,0,0|1,0,0]=3 1611 B7R1.2 CN1C=C(C=N1)I MCULE-9878259108 [1,1,0,0,0,0|1,0,0]=3 1612 B7R1.2 CN1C=C(C=N1)N MCULE-7517990417 [1,1,0,0,0,0|1,0,0]=3 1613 B7R1.2 CN1C=C(C=N1)N MCULE-7697659912 [1,1,0,0,0,0|1,0,0]=3 1614 B7R1.2 CN1C=C(C=N1)N MCULE-9265648600 [1,1,0,0,0,0|1,0,0]=3 1615 B7R1.2 CN1C=C(C=N1)O MCULE-5086680033 [1,1,0,0,0,0|1,0,0]=3 1616 B7R1.2 CN1C=C(C=N1)O MCULE-5814110625 [1,1,0,0,0,0|1,0,0]=3 1617 B7R1.2 CN1C=C(C=N1)S MCULE-4948890589 [1,1,0,0,0,0|1,0,0]=3 1618 B7R1.2 CN1C=C(N=N1)Br MCULE-4118912709 [1,1,0,0,0,0|2,0,0]=4 1619 B7R1.2 CN1C=C(N=N1)I MCULE-1597986309 [1,1,0,0,0,0|2,0,0]=4 1620 B7R1.2 CN1C=C(N=N1)N MCULE-1821401692 [1,1,0,0,0,0|2,0,0]=4 1621 B7R1.2 CN1C=C(N=N1)N MCULE-6350695471 [1,1,0,0,0,0|2,0,0]=4 1622 B7R1.2 CN1C=C(N=N1)S MCULE-9707503715 [1,1,0,0,0,0|2,0,0]=4 1623 B7R1.2 CN1C=C([O+]=N1)[O-] MCULE-5849128262 [1,1,0,0,0,0|2,0,0]=4 1624 B7R1.2 CN1C=CC(=C1)Br MCULE-2020278293 [1,1,0,0,0,0|1,0,0]=3 1625 B7R1.2 CN1C=CC(=C1)N MCULE-2805426691 [1,1,0,0,0,0|1,0,0]=3 1626 B7R1.2 CN1C=CC(=C1)N MCULE-3443863095 [1,1,0,0,0,0|1,0,0]=3 1627 B7R1.2 CN1C=CC(=C1)O MCULE-2504745844 [1,1,0,0,0,0|1,0,0]=3 1628 B7R1.2 CN1C=CC(=N1)Br MCULE-2140706128 [1,1,0,0,0,0|1,0,0]=3 1629 B7R1.2 CN1C=CC(=N1)Cl MCULE-7765518388 [1,1,0,0,0,0|1,0,0]=3 1630 B7R1.2 CN1C=CC(=N1)F MCULE-7853118859 [1,1,0,0,0,0|1,0,0]=3 1631 B7R1.2 CN1C=CC(=N1)I MCULE-4809829389 [1,1,0,0,0,0|1,0,0]=3 1632 B7R1.2 CN1C=CC(=N1)N MCULE-3298296740 [1,1,0,0,0,0|1,0,0]=3 1633 B7R1.2 CN1C=CC(=N1)N MCULE-8862989081 [1,1,0,0,0,0|1,0,0]=3 1634 B7R1.2 CN1C=CC(=N1)O MCULE-5118805950 [1,1,0,0,0,0|1,0,0]=3 1635 B7R1.2 CN1C=CC(=N1)S MCULE-9185539300 [1,1,0,0,0,0|1,0,0]=3 1636 B7R1.2 CN1C=C[N+](=C1)C MCULE-1968168294 [1,1,0,0,0,0|2,0,0]=4 1637 B7R1.2 CN1C=C[N+](=C1)C MCULE-2761334934 [1,1,0,0,0,0|2,0,0]=4 1638 B7R1.2 CN1C=C[N+](=C1)C MCULE-2821798506 [1,1,0,0,0,0|2,0,0]=4 1639 B7R1.2 CN1C=C[N+](=C1)C MCULE-3728272572 [1,1,0,0,0,0|2,0,0]=4 1640 B7R1.2 CN1C=C[N+](=C1)C MCULE-4777249746 [1,1,0,0,0,0|2,0,0]=4 1641 B7R1.2 CN1C=C[N+](=C1)C MCULE-8370562401 [1,1,0,0,0,0|2,0,0]=4 1642 B7R1.2 CN1C=NC(=C1)Br MCULE-5111604254 [1,1,0,0,0,0|2,0,0]=4 1643 B7R1.2 CN1C=NC(=C1)Br MCULE-5640857037 [1,1,0,0,0,0|2,0,0]=4 1644 B7R1.2 CN1C=NC(=C1)Cl MCULE-6428465261 [1,1,0,0,0,0|2,0,0]=4 1645 B7R1.2 CN1C=NC(=C1)I MCULE-4816775438 [1,1,0,0,0,0|2,0,0]=4 1646 B7R1.2 CN1C=NC(=C1)I MCULE-6780687059 [1,1,0,0,0,0|2,0,0]=4 1647 B7R1.2 CN1C=NC(=C1)N MCULE-6675652850 [1,1,0,0,0,0|2,0,0]=4 1648 B7R1.2 CN1C=NC(=C1)N MCULE-6776822943 [1,1,0,0,0,0|2,0,0]=4 1649 B7R1.2 CN1C=NC(=C1)N MCULE-7634413330 [1,1,0,0,0,0|2,0,0]=4 1650 B7R1.2 CN1C=NC(=N1)Br MCULE-6085600654 [1,1,0,0,0,0|2,0,0]=4 1651 B7R1.2 CN1C=NC(=N1)Cl MCULE-9654889391 [1,1,0,0,0,0|2,0,0]=4 1652 B7R1.2 CN1C=NC(=N1)I MCULE-2310930379 [1,1,0,0,0,0|2,0,0]=4 1653 B7R1.2 CN1C=NC(=N1)N MCULE-1050208144 [1,1,0,0,0,0|2,0,0]=4 1654 B7R1.2 CN1C=NC(=N1)N MCULE-1270255380 [1,1,0,0,0,0|2,0,0]=4 1655 B7R1.2 CN1C=NC(=N1)N MCULE-3890729099 [1,1,0,0,0,0|2,0,0]=4 1656 B7R1.2 CN1C=NC(=O)N1 MCULE-8089843600 [1,1,0,0,0,0|2,0,0]=4 1657 B7R1.2 CN1N=CC(=N1)Br MCULE-6585519417 [1,1,0,0,0,0|2,0,0]=4 1658 B7R1.2 CN1N=CC(=N1)N MCULE-3355279946 [1,1,0,0,0,0|2,0,0]=4 1659 B7R1.2 CN1N=CC(=N1)N MCULE-5746157035 [1,1,0,0,0,0|2,0,0]=4 1660 B7R1.2 CN1N=CC(=N1)N MCULE-9047961784 [1,1,0,0,0,0|2,0,0]=4 1661 B7R1.2 CN1N=CC(=O)N1 MCULE-1498333804 [1,1,0,0,0,0|2,0,0]=4 1662 B7R1.2 ClC1=CC(=CS1)Br MCULE-7660145504 [1,1,0,0,0,0|2,0,0]=4 1663 B7R1.2 ClC1=CC=C(S1)Br MCULE-3423220666 [1,1,0,0,0,0|2,0,0]=4 1664 B7R1.2 ClC1=CC=C(S1)Cl MCULE-2157852642 [1,1,0,0,0,0|2,0,0]=4 1665 B7R1.2 ClC1=CC=C(S1)I MCULE-5479465033 [1,1,0,0,0,0|2,0,0]=4 1666 B7R1.2 FC1=CC=C(S1)Br MCULE-1487822013 [1,1,0,0,0,0|2,0,0]=4 1667 B7R1.2 FC1=CC=C(S1)I MCULE-7197826580 [1,1,0,0,0,0|2,0,0]=4 1668 B7R1.2 FC1=CSC(=C1)Br MCULE-7059165004 [1,1,0,0,0,0|2,0,0]=4 1669 B7R1.2 IC1=CC=C(S1)I MCULE-1417836830 [1,1,0,0,0,0|2,0,0]=4 1670 B7R1.2 N=C1NC(=O)SS1 MCULE-7339465409 [1,1,0,0,0,0|2,0,0]=4 1671 B7R1.2 NC1=CC(=CS1)Br MCULE-5266427375 [1,1,0,0,0,0|2,0,0]=4 1672 B7R1.2 NC1=CC(=CS1)Br MCULE-7059699215 [1,1,0,0,0,0|2,0,0]=4 1673 B7R1.2 NC1=CC(=CS1)Br MCULE-9539188304 [1,1,0,0,0,0|2,0,0]=4 1674 B7R1.2 NC1=CC(=CS1)Cl MCULE-1368435157 [1,1,0,0,0,0|2,0,0]=4 1675 B7R1.2 NC1=CC(=CS1)Cl MCULE-7305346902 [1,1,0,0,0,0|2,0,0]=4 1676 B7R1.2 NC1=CC(=NN1)Br MCULE-2162955835 [1,1,0,0,0,0|2,0,0]=4 1677 B7R1.2 NC1=CC(=NN1)Br MCULE-8959030423 [1,1,0,0,0,0|2,0,0]=4 1678 B7R1.2 NC1=CC(=NN1)Cl MCULE-8002271559 [1,1,0,0,0,0|2,0,0]=4 1679 B7R1.2 NC1=CC(=NN1)I MCULE-3510408493 [1,1,0,0,0,0|2,0,0]=4 1680 B7R1.2 NC1=CC(=NN1)I MCULE-4663040995 [1,1,0,0,0,0|2,0,0]=4 1681 B7R1.2 NC1=CC(=NN1)N MCULE-3789616992 [1,1,0,0,0,0|2,0,0]=4 1682 B7R1.2 NC1=CC(=NN1)N MCULE-9475481176 [1,1,0,0,0,0|2,0,0]=4 1683 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [1,1,0,0,0,0|2,0,0]=4 1684 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [1,1,0,0,0,0|1,0,0]=3 1685 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [1,1,0,0,0,0|1,0,0]=3 1686 B7R1.2 NC1=CC(=[S+]S1)N MCULE-5770117415 [1,1,0,0,0,0|2,0,0]=4 1687 B7R1.2 NC1=CC(=[S+]S1)N MCULE-7131970456 [1,1,0,0,0,0|2,0,0]=4 1688 B7R1.2 NC1=CC=C(S1)Br MCULE-3753190045 [1,1,0,0,0,0|2,0,0]=4 1689 B7R1.2 NC1=CC=C(S1)Br MCULE-8405320841 [1,1,0,0,0,0|2,0,0]=4 1690 B7R1.2 NC1=CC=C(S1)Cl MCULE-2899601281 [1,1,0,0,0,0|2,0,0]=4 1691 B7R1.2 NC1=CC=C(S1)Cl MCULE-4678133758 [1,1,0,0,0,0|2,0,0]=4 1692 B7R1.2 NC1=CC=C(S1)S MCULE-8625998911 [1,1,0,0,0,0|2,0,0]=4 1693 B7R1.2 NC1=CSC(=C1)Br MCULE-4419421889 [1,1,0,0,0,0|2,0,0]=4 1694 B7R1.2 NC1=CSC(=C1)Br MCULE-4824675898 [1,1,0,0,0,0|2,0,0]=4 1695 B7R1.2 NC1=CSC(=C1)Br MCULE-9713306865 [1,1,0,0,0,0|2,0,0]=4 1696 B7R1.2 NC1=CSC(=C1)Cl MCULE-1264261152 [1,1,0,0,0,0|2,0,0]=4 1697 B7R1.2 NC1=CSC(=C1)Cl MCULE-4907003251 [1,1,0,0,0,0|2,0,0]=4 1698 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [1,1,0,0,0,0|2,0,0]=4 1699 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [1,1,0,0,0,0|2,0,0]=4 1700 B7R1.2 NC1=NNC(=C1)F MCULE-1801922879 [1,1,0,0,0,0|2,0,0]=4 1701 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [1,1,0,0,0,0|1,0,1]=4 1702 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [1,1,0,0,0,0|2,0,0]=4 1703 B7R1.2 NC1=NSC(=C1)Br MCULE-4756910940 [1,1,0,0,0,0|1,0,1]=4 1704 B7R1.2 NC1=NSC(=C1)Br MCULE-9464275440 [1,1,0,0,0,0|1,0,1]=4 1705 B7R1.2 NN1C=C(C=N1)Br MCULE-9053054908 [1,1,0,0,0,0|2,0,0]=4 1706 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [1,1,0,0,0,0|2,0,0]=4 1707 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [1,1,0,0,0,0|2,0,0]=4 1708 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [1,1,0,0,0,0|2,0,0]=4 1709 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [1,1,0,0,0,0|2,0,0]=4 1710 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [1,1,0,0,0,0|1,0,0]=3 1711 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,1,0,0,0,0|1,0,0]=3 1712 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [1,1,0,0,0,0|2,0,0]=4 1713 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [1,1,0,0,0,0|2,0,0]=4 1714 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [1,1,0,0,0,0|0,0,0]=2 1715 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [1,1,0,0,0,0|2,0,0]=4 1716 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [1,1,0,0,0,0|1,0,0]=3 1717 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [1,1,0,0,0,0|2,0,0]=4 1718 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [1,1,0,0,0,0|2,0,0]=4 1719 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [1,1,0,0,0,0|2,0,0]=4 1720 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [1,1,0,0,0,0|2,0,0]=4 1721 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [1,1,0,0,0,0|2,0,0]=4 1722 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [1,1,0,0,0,0|2,0,0]=4 1723 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [1,1,0,0,0,0|1,0,1]=4 1724 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [1,1,0,0,0,0|1,0,1]=4 1725 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,1,0,0,0,0|2,0,0]=4 1726 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [1,1,0,0,0,0|2,0,0]=4 1727 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [1,1,0,0,0,0|2,0,0]=4 1728 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [1,1,0,0,0,0|2,0,0]=4 1729 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [1,1,0,0,0,0|2,0,0]=4 1730 B7R1.2 O=C1N=C(NN1)S MCULE-4550378114 [1,1,0,0,0,0|2,0,0]=4 1731 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [1,1,0,0,0,0|2,0,0]=4 1732 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [1,1,0,0,0,0|2,0,0]=4 1733 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [1,1,0,0,0,0|2,0,0]=4 1734 B7R1.2 O=C1NN=C(N1)Br MCULE-1124720587 [1,1,0,0,0,0|2,0,0]=4 1735 B7R1.2 O=C1NN=C(N1)Cl MCULE-5593292847 [1,1,0,0,0,0|2,0,0]=4 1736 B7R1.2 O=C1NN=C(S1)Cl MCULE-9941660941 [1,1,0,0,0,0|2,0,0]=4 1737 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [1,1,0,0,0,0|2,0,0]=4 1738 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [1,1,0,0,0,0|1,1,0]=4 1739 B7R1.2 OC1=CC=C(S1)Br MCULE-2888788322 [1,1,0,0,0,0|2,0,0]=4 1740 B7R1.2 ON1C=C(C=N1)Br MCULE-4381721976 [1,1,0,0,0,0|2,0,0]=4 1741 B7R1.2 ON1C=C(C=N1)I MCULE-1454680703 [1,1,0,0,0,0|2,0,0]=4 1742 B7R1.2 SC1=CC=C(S1)Cl MCULE-6453386121 [1,1,0,0,0,0|2,0,0]=4 1743 B7R1.14 O=S1(=O)C=CCN1 MCULE-1393327309 [1,1,0,0,0,0|2,0,0]=4 1744 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [0,1,0,0,1,0|2,0,0]=4 1745 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [0,1,0,0,1,0|2,0,0]=4 1746 B9R1.2 CC1=CC(=CC=C1)C=O MCULE-9886997059 [0,1,0,0,0,1|2,0,0]=4 1747 B9R1.2 CC1=CC=CC(=C1)[IH2]=O MCULE-3972071766 [0,1,0,0,0,1|2,0,0]=4 1748 B9R1.2 CC1=CC=CC(=C1)[IH2]=O MCULE-6404006838 [0,1,0,0,0,1|2,0,0]=4 1749 B9R1.2 CC1=CC=CC(=N1)C=O MCULE-1069687829 [0,1,0,0,0,1|2,0,0]=4 1750 B9R1.2 CC1=NC(=CC=N1)C=O MCULE-3321023235 [0,1,0,0,0,1|2,0,0]=4 1751 B9R1.2 CC1=NC=CC(=C1)C=O MCULE-2744373449 [0,1,0,0,0,1|2,0,0]=4 1752 B9R1.2 CC1=NC=CC(=C1)C=O MCULE-4258015896 [0,1,0,0,0,1|2,0,0]=4 1753 B9R1.2 COC1=NC(=O)C=CN1 MCULE-4176859501 [0,1,0,0,0,1|2,0,0]=4 1754 B9R1.2 CSC1=NC=CC(=O)N1 MCULE-9680690573 [0,1,0,0,0,1|2,0,0]=4 1755 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-1386831282 [0,1,0,0,0,1|2,0,0]=4 1756 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-3025859735 [0,1,0,0,0,1|2,0,0]=4 1757 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-8335536241 [0,1,0,0,0,1|2,0,0]=4 1758 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-2949674461 [0,1,0,0,0,1|2,0,0]=4 1759 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-5370705710 [0,1,0,0,0,1|2,0,0]=4 1760 B9R1.2 O=C1C=CN=C(N1)CCl MCULE-3488826665 [0,1,0,0,0,1|2,0,0]=4 1761 B9R1.3 CC1=C(C(=O)C=CN1)C MCULE-5006486359 [0,1,0,0,0,1|2,0,0]=4 1762 B9R1.3 CC1=C(C(=O)C=CN1)O MCULE-4746579757 [0,1,0,0,0,1|2,0,0]=4 1763 B9R1.3 CC1=C(C(=O)C=CO1)O MCULE-2376032845 [0,1,0,0,0,1|1,1,0]=4 1764 B9R1.3 CC1=CC=CN(C1=S)C MCULE-1823317832 [0,1,0,0,0,1|2,0,0]=4 1765 B9R1.3 CC1=NC=CC(=O)C1O MCULE-8072640255 [0,1,0,0,0,1|2,0,0]=4 1766 B9R1.3 CC1OC=CC(=O)C1=O MCULE-7675608776 [0,1,0,0,0,1|1,1,0]=4 1767 B9R1.3 CN1C=CC=C(C1=O)Br MCULE-1516709849 [0,1,0,0,0,1|2,0,0]=4 1768 B9R1.3 CN1C=CC=C(C1=O)I MCULE-8607578723 [0,1,0,0,0,1|2,0,0]=4 1769 B9R1.3 CN1C=CC=C(C1=O)N MCULE-7766969130 [0,1,0,0,0,1|2,0,0]=4 1770 B9R1.3 CN1C=CC=C(C1=O)N MCULE-9742693821 [0,1,0,0,0,1|2,0,0]=4 1771 B9R1.3 CN1C=CC=C(C1=O)O MCULE-6933477572 [0,1,0,0,0,1|1,0,1]=4 1772 B9R1.3 CN1C=CC=C(C1=S)Br MCULE-6977858911 [0,1,0,0,0,1|2,0,0]=4 1773 B9R1.3 CN1C=CC=C(C1=S)Cl MCULE-4893429044 [0,1,0,0,0,1|2,0,0]=4 1774 B9R1.3 CN1C=CC=C(C1=S)O MCULE-2482929842 [0,1,0,0,0,1|1,0,1]=4 1775 B9R1.3 CN1C=CNC(=O)C1=O MCULE-8825888617 [0,1,0,0,0,1|2,0,0]=4 1776 B9R1.3 CN1N=CC=C(C1=O)Br MCULE-7066448914 [0,1,0,0,0,1|2,0,0]=4 1777 B9R1.3 CN1N=CC=C(C1=O)Cl MCULE-3423799864 [0,1,0,0,0,1|2,0,0]=4 1778 B9R1.3 CN1N=CC=C(C1=O)N MCULE-1150351468 [0,1,0,0,0,1|2,0,0]=4 1779 B9R1.34 CC1=CC(=CC(=O)N1)Br MCULE-8208292456 [0,1,0,0,0,1|2,0,0]=4 1780 B9R1.34 CC1=CC(=CC(=O)N1)Cl MCULE-9615445068 [0,1,0,0,0,1|2,0,0]=4 1781 B9R1.34 CC1=CC(=CC(=O)N1)O MCULE-9810636783 [0,1,0,0,0,1|2,0,0]=4 1782 B9R1.34 CC1=CC(=CC(=O)O1)Br MCULE-2988778440 [0,1,0,0,0,1|2,0,0]=4 1783 B9R1.34 CC1=CC(=CC(=O)O1)Cl MCULE-3416788222 [0,1,0,0,0,1|2,0,0]=4 1784 B9R1.34 CC1=CC(=CC(=O)O1)N MCULE-7615332536 [0,1,0,0,0,1|2,0,0]=4 1785 B9R1.34 CC1=CC(=CC(=O)O1)N MCULE-9405603947 [0,1,0,0,0,1|2,0,0]=4 1786 B9R1.34 CC1=CC(=CC(=O)O1)O MCULE-4178961944 [0,1,0,0,0,1|2,0,0]=4 1787 B9R1.34 CC1=CC(=O)C=C(N1)C MCULE-9549005978 [0,1,0,0,0,1|2,0,0]=4 1788 B9R1.34 CC1=CC(=O)C=C(O1)C MCULE-5402949310 [0,1,0,0,0,1|1,1,0]=4 1789 B9R1.34 CC1=CC(=O)C=C(O1)O MCULE-3917877384 [0,1,0,0,0,1|1,1,0]=4 1790 B9R1.34 CC1=CC(=O)CC(C1)C MCULE-4391727742 [0,1,0,0,0,1|2,0,0]=4 1791 B9R1.34 CC1=CC(=O)NC(=C1)C MCULE-3175630656 [0,1,0,0,0,1|2,0,0]=4 1792 B9R1.34 CC1=CC(=O)OC(=C1)C MCULE-1005897114 [0,1,0,0,0,1|2,0,0]=4 1793 B9R1.34 CC1=NC(=CC(=O)N1)N MCULE-8442084767 [0,1,0,0,0,1|2,0,0]=4 1794 B9R1.34 CC1CC(=CC(=O)O1)O MCULE-3566980219 [0,1,0,0,0,1|2,0,0]=4 1795 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,1,0,0,0,1|2,0,0]=4 1796 B9R1.34 CN1CC(=O)NC(=O)C1 MCULE-9312522895 [0,1,0,0,0,1|2,0,0]=4 1797 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [0,1,0,0,0,1|2,0,0]=4 1798 B9R1.66 CC1(CC=CC(=O)C1)C MCULE-3774162320 [0,1,0,0,0,1|2,0,0]=4 1799 B9R1.69 CC1=C(C=CC(=O)N1)Br MCULE-4521117941 [0,1,0,0,0,1|2,0,0]=4 1800 B9R1.69 CC1=C(C=CC(=O)N1)F MCULE-7194077740 [0,1,0,0,0,1|2,0,0]=4 1801 B9R1.69 CC1=C(C=CC(=O)N1)I MCULE-5617997142 [0,1,0,0,0,1|2,0,0]=4 1802 B9R1.69 CC1=C(NC(=O)C=C1)C MCULE-4420397888 [0,1,0,0,0,1|2,0,0]=4 1803 B9R1.69 CC1=CC(=O)C(=CN1)O MCULE-1538839877 [0,1,0,0,0,1|2,0,0]=4 1804 B9R1.69 CC1=CC(=O)C(=CO1)O MCULE-1008730092 [0,1,0,0,0,1|1,1,0]=4 1805 B9R1.69 CC1=CC(=O)C=CC1=O MCULE-9650878933 [0,1,0,0,0,1|2,0,0]=4 1806 B9R1.69 CC1=CC=C(C(=O)N1)Cl MCULE-5441621395 [0,1,0,0,0,1|2,0,0]=4 1807 B9R1.69 CC1=CC=C(C(=O)N1)N MCULE-6572218746 [0,1,0,0,0,1|2,0,0]=4 1808 B9R1.69 CC1=CN(C(=O)C=C1)C MCULE-1546546528 [0,1,0,0,0,1|2,0,0]=4 1809 B9R1.69 CC1=CNC(=NC1=O)C MCULE-3546851335 [0,1,0,0,0,1|2,0,0]=4 1810 B9R1.69 CC1=NC=C(C(=O)N1)F MCULE-6156802397 [0,1,0,0,0,1|2,0,0]=4 1811 B9R1.69 CC1=NC=C(C(=O)N1)I MCULE-9280509199 [0,1,0,0,0,1|2,0,0]=4 1812 B9R1.69 CC1=NN(C(=O)C=C1)C MCULE-6774020661 [0,1,0,0,0,1|2,0,0]=4 1813 B9R1.69 CN1C=C(C=CC1=O)Br MCULE-1988854688 [0,1,0,0,0,1|2,0,0]=4 1814 B9R1.69 CN1C=C(C=CC1=O)Cl MCULE-8552019856 [0,1,0,0,0,1|2,0,0]=4 1815 B9R1.69 CN1C=C(C=CC1=O)F MCULE-8044075655 [0,1,0,0,0,1|2,0,0]=4 1816 B9R1.69 CN1C=C(C=CC1=O)I MCULE-3859652678 [0,1,0,0,0,1|2,0,0]=4 1817 B9R1.69 CN1C=C(C=CC1=O)N MCULE-3185695492 [0,1,0,0,0,1|2,0,0]=4 1818 B9R1.69 CN1C=C(C=CC1=O)N MCULE-8506567791 [0,1,0,0,0,1|2,0,0]=4 1819 B9R1.69 CN1C=C(C=CC1=O)N MCULE-8565219040 [0,1,0,0,0,1|2,0,0]=4 1820 B9R1.69 CN1C=C(C=CC1=O)O MCULE-9715288226 [0,1,0,0,0,1|1,0,1]=4 1821 B9R1.69 CN1C=CC(=O)C(=C1)Br MCULE-6750029888 [0,1,0,0,0,1|2,0,0]=4 1822 B9R1.69 CN1C=CC(=O)C(=C1)Cl MCULE-2460522217 [0,1,0,0,0,1|2,0,0]=4 1823 B9R1.69 CN1C=CC(=O)C(=C1)I MCULE-1366362993 [0,1,0,0,0,1|2,0,0]=4 1824 B9R1.69 CN1C=CC(=O)C(=C1)O MCULE-5287468436 [0,1,0,0,0,1|1,0,1]=4 1825 B9R1.69 CN1N=C(C=CC1=O)Br MCULE-6164372071 [0,1,0,0,0,1|2,0,0]=4 1826 B9R1.69 CN1N=C(C=CC1=O)Cl MCULE-3920332223 [0,1,0,0,0,1|2,0,0]=4 1827 B9R1.69 CN1N=C(C=CC1=O)N MCULE-8055332798 [0,1,0,0,0,1|2,0,0]=4 1828 B9R1.69 CN1N=C(C=CC1=O)O MCULE-8163221889 [0,1,0,0,0,1|1,0,1]=4 1829 B9R1.15 CC1=C(C=CC=C1)C=O MCULE-2830937302 [0,1,0,0,0,1|2,0,0]=4 1830 B9R1.15 CC1=C(C=CC=C1)N=O MCULE-7502664401 [0,1,0,0,0,1|2,0,0]=4 1831 B9R1.15 CC1=C(C=CC=N1)C=O MCULE-9542306319 [0,1,0,0,0,1|2,0,0]=4 1832 B9R1.15 CC1=C(C=CN=C1)C=O MCULE-7640727450 [0,1,0,0,0,1|2,0,0]=4 1833 B9R1.15 CC1=C(N=CC=C1)C=O MCULE-8800373726 [0,1,0,0,0,1|2,0,0]=4 1834 B9R1.15 CC1=C(N=CC=N1)C=O MCULE-7752130834 [0,1,0,0,0,1|2,0,0]=4 1835 B9R1.15 CC1=CC=NC=C1C=O MCULE-7935892677 [0,1,0,0,0,1|2,0,0]=4 1836 B9R1.15 CCC1=NC=CNC1=O MCULE-1515870807 [0,1,0,0,0,1|2,0,0]=4 1837 B9R1.15 CN1C=CC=CC1=NN MCULE-6595264418 [0,1,0,0,0,1|2,0,0]=4 1838 B9R1.15 CN=C1C=CC=CN1C MCULE-4339305501 [0,1,0,0,0,1|2,0,0]=4 1839 B9R1.15 COC1=CC=CNC1=O MCULE-1104931579 [0,1,0,0,0,1|2,0,0]=4 1840 B9R1.15 COC1=CC=CNC1=O MCULE-3466893667 [0,1,0,0,0,1|2,0,0]=4 1841 B9R1.15 NCC1=CC=CNC1=O MCULE-6248076104 [0,1,0,0,0,1|2,0,0]=4 1842 B9R1.15 O=C1NC=CC=C1CO MCULE-9196302433 [0,1,0,0,0,1|2,0,0]=4 1843 B9R1.40 CC1(CCC=CC1=O)C MCULE-1811364024 [0,1,0,0,0,1|2,0,0]=4 1844 B9R1.40 CC1(COC=CC1=O)C MCULE-6422133092 [0,1,0,0,0,1|1,1,0]=4 1845 B9R1.14 BrCC1=C(SC=C1)CBr MCULE-7962898908 [0,2,0,0,0,0|2,0,0]=4 1846 B9R1.14 C#CC1=CC=NN1CC MCULE-4465286841 [0,2,0,0,0,0|2,0,0]=4 1847 B9R1.14 C=CN1C=CC=C1C=O MCULE-6206798976 [0,2,0,0,0,0|1,0,1]=4 1848 B9R1.14 C=CN1N=CC=C1C=O MCULE-5169874655 [0,2,0,0,0,0|1,0,1]=4 1849 B9R1.14 CCC1=C(SC=C1)CN MCULE-6870628002 [0,2,0,0,0,0|2,0,0]=4 1850 B9R1.14 CCC1=CC=NN1CC MCULE-9680838155 [0,2,0,0,0,0|2,0,0]=4 1851 B9R1.14 CCN1C=CC=C1C#N MCULE-1369523917 [0,2,0,0,0,0|2,0,0]=4 1852 B9R1.14 CCN1C=CC=C1C=O MCULE-8123073528 [0,2,0,0,0,0|1,0,0]=3 1853 B9R1.14 CCN1C=CC=C1CS MCULE-8369116586 [0,2,0,0,0,0|1,1,0]=4 1854 B9R1.14 CCN1C=CN=C1C=O MCULE-8093493884 [0,2,0,0,0,0|2,0,0]=4 1855 B9R1.14 CCN1C=NC=C1C=O MCULE-8161647894 [0,2,0,0,0,0|2,0,0]=4 1856 B9R1.14 CCN1C=NC=C1C=O MCULE-9726886265 [0,2,0,0,0,0|2,0,0]=4 1857 B9R1.14 CCN1N=CC=C1C#N MCULE-6744175121 [0,2,0,0,0,0|2,0,0]=4 1858 B9R1.14 CCN1N=CC=C1C=O MCULE-7877231011 [0,2,0,0,0,0|1,0,0]=3 1859 B9R1.14 CCN1N=CC=C1CCl MCULE-2001370477 [0,2,0,0,0,0|2,0,0]=4 1860 B9R1.14 CCN1N=CC=C1CCl MCULE-5768597801 [0,2,0,0,0,0|2,0,0]=4 1861 B9R1.14 CCN1N=CC=C1CN MCULE-4158399344 [0,2,0,0,0,0|2,0,0]=4 1862 B9R1.14 CCN1N=CC=C1CN MCULE-7188734171 [0,2,0,0,0,0|2,0,0]=4 1863 B9R1.14 CCN1N=CC=C1CO MCULE-3181317210 [0,2,0,0,0,0|1,0,1]=4 1864 B9R1.14 CCN1N=CC=C1NN MCULE-2538642746 [0,2,0,0,0,0|2,0,0]=4 1865 B9R1.14 CCN1N=CC=C1NN MCULE-6889135377 [0,2,0,0,0,0|2,0,0]=4 1866 B9R1.14 CCN1N=CN=C1C=O MCULE-7118754230 [0,2,0,0,0,0|2,0,0]=4 1867 B9R1.14 COC1=C(C=CS1)C=O MCULE-4940153290 [0,2,0,0,0,0|1,0,0]=3 1868 B9R1.14 COC1=C(SC=C1)CN MCULE-5256237652 [0,2,0,0,0,0|1,0,1]=4 1869 B9R1.14 COC1=C(SC=C1)CO MCULE-3230949557 [0,2,0,0,0,0|1,0,1]=4 1870 B9R1.14 CSC1=C(C=CS1)C=O MCULE-4305167391 [0,2,0,0,0,0|1,0,0]=3 1871 B9R1.14 CSC1=C(SC=C1)SC MCULE-3721909805 [0,2,0,0,0,0|1,1,0]=4 1872 B9R1.14 N#CC1=C(SC=C1)CO MCULE-3279573144 [0,2,0,0,0,0|2,0,0]=4 1873 B9R1.14 NCC1=C(SC=C1)CO MCULE-2522473735 [0,2,0,0,0,0|2,0,0]=4 1874 B9R1.14 O=CC1=C(SC=C1)C=O MCULE-4669500109 [0,2,0,0,0,0|1,0,1]=4 1875 B9R1.14 OCC1=C(SC=C1)CO MCULE-2694296246 [0,2,0,0,0,0|1,0,1]=4 1876 B9R1.22 C#CC1=C(SC(=C1)C)C MCULE-2729762638 [0,2,0,0,0,0|2,0,0]=4 1877 B9R1.22 CC1=C(C=C(S1)Cl)C=O MCULE-9061267633 [0,2,0,0,0,0|1,0,0]=3 1878 B9R1.22 CC1=C(N=C(S1)Br)C=O MCULE-6972865702 [0,2,0,0,0,0|2,0,0]=4 1879 B9R1.22 CC1=C(N=C(S1)Cl)C=O MCULE-2462112783 [0,2,0,0,0,0|2,0,0]=4 1880 B9R1.22 CC1=C(N=C(S1)N)C=O MCULE-8687313655 [0,2,0,0,0,0|2,0,0]=4 1881 B9R1.22 CC1=C(SC(=C1)Br)CN MCULE-8819498261 [0,2,0,0,0,0|2,0,0]=4 1882 B9R1.22 CC1=CC(=C(N1)C)C=O MCULE-8746528639 [0,2,0,0,0,0|2,0,0]=4 1883 B9R1.22 CC1=CC(=C(O1)C)C=O MCULE-1066502047 [0,2,0,0,0,0|1,1,0]=4 1884 B9R1.22 CC1=CC(=C(S1)C)C=O MCULE-3847397675 [0,2,0,0,0,0|1,0,0]=3 1885 B9R1.22 CC1=CC(=C(S1)C)CCl MCULE-1044025666 [0,2,0,0,0,0|2,0,0]=4 1886 B9R1.22 CC1=CC(=C(S1)C)CN MCULE-3550481530 [0,2,0,0,0,0|2,0,0]=4 1887 B9R1.22 CC1=CC(=C(S1)C)CN MCULE-4642135760 [0,2,0,0,0,0|2,0,0]=4 1888 B9R1.22 CC1=CC(=C(S1)C)CO MCULE-3470465755 [0,2,0,0,0,0|1,0,1]=4 1889 B9R1.22 CC1=CC(=C(S1)CCl)F MCULE-4407605796 [0,2,0,0,0,0|2,0,0]=4 1890 B9R1.22 CC1=CC(=C(S1)CN)Br MCULE-5380644519 [0,2,0,0,0,0|2,0,0]=4 1891 B9R1.22 CC1=CC(=C(S1)CN)Br MCULE-7440026229 [0,2,0,0,0,0|2,0,0]=4 1892 B9R1.22 CC1=CC(=C(S1)CN)F MCULE-4081608174 [0,2,0,0,0,0|2,0,0]=4 1893 B9R1.22 CC1=CC(=C(S1)CN)F MCULE-5959918782 [0,2,0,0,0,0|2,0,0]=4 1894 B9R1.22 CC1=CC(=NN1CCl)C MCULE-2588372438 [0,2,0,0,0,0|2,0,0]=4 1895 B9R1.22 CC1=CC(=NN1CCl)C MCULE-6037185161 [0,2,0,0,0,0|2,0,0]=4 1896 B9R1.22 CC1=CC(=NN1CO)C MCULE-5455597623 [0,2,0,0,0,0|2,0,0]=4 1897 B9R1.22 CC1=CC(=O)N(O1)CCl MCULE-4023145562 [0,2,0,0,0,0|0,1,0]=3 1898 B9R1.22 CC1=CN(C(=N1)C=O)C MCULE-8342709111 [0,2,0,0,0,0|2,0,0]=4 1899 B9R1.22 CC1=NN(C(=C1)C#N)C MCULE-9892670778 [0,2,0,0,0,0|2,0,0]=4 1900 B9R1.22 CC1=NN(C(=C1)C=O)C MCULE-5451280477 [0,2,0,0,0,0|1,0,0]=3 1901 B9R1.22 CC1=NN(C(=C1)CBr)C MCULE-6808081097 [0,2,0,0,0,0|2,0,0]=4 1902 B9R1.22 CC1=NN(C(=C1)CBr)C MCULE-8585033661 [0,2,0,0,0,0|2,0,0]=4 1903 B9R1.22 CC1=NN(C(=C1)CCl)C MCULE-1625065924 [0,2,0,0,0,0|2,0,0]=4 1904 B9R1.22 CC1=NN(C(=C1)CCl)C MCULE-6761013248 [0,2,0,0,0,0|2,0,0]=4 1905 B9R1.22 CC1=NN(C(=C1)CN)C MCULE-1191815487 [0,2,0,0,0,0|2,0,0]=4 1906 B9R1.22 CC1=NN(C(=C1)CN)C MCULE-1458503208 [0,2,0,0,0,0|2,0,0]=4 1907 B9R1.22 CC1=NN(C(=C1)CO)C MCULE-7876600922 [0,2,0,0,0,0|1,0,1]=4 1908 B9R1.22 CC1=NN(C(=C1)NN)C MCULE-4695455347 [0,2,0,0,0,0|2,0,0]=4 1909 B9R1.22 CC1=NN(C(=C1)NN)C MCULE-9536587389 [0,2,0,0,0,0|2,0,0]=4 1910 B9R1.22 CCC1=CC(=NN1C)N MCULE-1856748866 [0,2,0,0,0,0|2,0,0]=4 1911 B9R1.22 CCC1=CC(=NN1C)N MCULE-8427144994 [0,2,0,0,0,0|2,0,0]=4 1912 B9R1.22 CCC1SC(=NC1=O)N MCULE-1596040258 [0,2,0,0,0,0|2,0,0]=4 1913 B9R1.22 CCN1C=C(C=C1N)C MCULE-9902484503 [0,2,0,0,0,0|2,0,0]=4 1914 B9R1.22 CCN1CC(=O)NC1=O MCULE-1851701594 [0,2,0,0,0,0|2,0,0]=4 1915 B9R1.22 CCN1N=C(C=C1Br)Br MCULE-5913142059 [0,2,0,0,0,0|2,0,0]=4 1916 B9R1.22 CCN1N=C(C=C1Br)N MCULE-1422542733 [0,2,0,0,0,0|2,0,0]=4 1917 B9R1.22 CCN1N=C(C=C1C)Br MCULE-7045553855 [0,2,0,0,0,0|2,0,0]=4 1918 B9R1.22 CCN1N=C(C=C1C)C MCULE-8661344525 [0,2,0,0,0,0|2,0,0]=4 1919 B9R1.22 CCN1N=C(C=C1C)I MCULE-6429182315 [0,2,0,0,0,0|2,0,0]=4 1920 B9R1.22 CCN1N=C(C=C1C)N MCULE-7045780395 [0,2,0,0,0,0|2,0,0]=4 1921 B9R1.22 CCN1N=C(C=C1F)C MCULE-4171590707 [0,2,0,0,0,0|2,0,0]=4 1922 B9R1.22 CCN1N=C(C=C1I)N MCULE-5484442530 [0,2,0,0,0,0|2,0,0]=4 1923 B9R1.22 CCN1N=C(C=C1N)Br MCULE-4964053446 [0,2,0,0,0,0|2,0,0]=4 1924 B9R1.22 CCN1N=C(C=C1N)C MCULE-1328253726 [0,2,0,0,0,0|2,0,0]=4 1925 B9R1.22 CCN1N=C(C=C1N)I MCULE-2844744593 [0,2,0,0,0,0|2,0,0]=4 1926 B9R1.22 CCN1N=C(CC1=O)C MCULE-4203337078 [0,2,0,0,0,0|1,0,1]=4 1927 B9R1.22 CCN1N=C(NC1=O)Br MCULE-5545771475 [0,2,0,0,0,0|2,0,0]=4 1928 B9R1.22 CN1C=C(C=C1C#N)Br MCULE-4200098374 [0,2,0,0,0,0|2,0,0]=4 1929 B9R1.22 CN1C=C(C=C1C=O)Br MCULE-2725462214 [0,2,0,0,0,0|1,0,0]=3 1930 B9R1.22 CN1C=C(N=C1C=O)Br MCULE-7050878592 [0,2,0,0,0,0|2,0,0]=4 1931 B9R1.22 CN1N=C(C=C1C#N)Br MCULE-9133068537 [0,2,0,0,0,0|2,0,0]=4 1932 B9R1.22 CN1N=C(C=C1C#N)F MCULE-3061659848 [0,2,0,0,0,0|2,0,0]=4 1933 B9R1.22 CN1N=C(C=C1C#N)I MCULE-9812524315 [0,2,0,0,0,0|2,0,0]=4 1934 B9R1.22 CN1N=C(C=C1C#N)N MCULE-4871593867 [0,2,0,0,0,0|2,0,0]=4 1935 B9R1.22 CN1N=C(C=C1C#N)N MCULE-5732315325 [0,2,0,0,0,0|2,0,0]=4 1936 B9R1.22 CN1N=C(C=C1C#N)O MCULE-7586163087 [0,2,0,0,0,0|2,0,0]=4 1937 B9R1.22 CN1N=C(C=C1C=O)Br MCULE-3133636999 [0,2,0,0,0,0|1,0,0]=3 1938 B9R1.22 CN1N=C(C=C1C=O)F MCULE-5100411015 [0,2,0,0,0,0|1,0,0]=3 1939 B9R1.22 CN1N=C(C=C1C=O)I MCULE-2203212492 [0,2,0,0,0,0|1,0,0]=3 1940 B9R1.22 CN1N=C(C=C1CCl)I MCULE-6714248494 [0,2,0,0,0,0|2,0,0]=4 1941 B9R1.22 CN1N=C(C=C1CN)I MCULE-3582204066 [0,2,0,0,0,0|2,0,0]=4 1942 B9R1.22 CN1N=C(C=C1CO)I MCULE-2550411991 [0,2,0,0,0,0|1,0,1]=4 1943 B9R1.22 CN1N=C(C=C1CO)N MCULE-9637582581 [0,2,0,0,0,0|1,0,1]=4 1944 B9R1.22 CN1N=C(N=C1C=O)Br MCULE-6298033405 [0,2,0,0,0,0|2,0,0]=4 1945 B9R1.22 CNC1=CC(=NN1C)C MCULE-8056578081 [0,2,0,0,0,0|2,0,0]=4 1946 B9R1.22 COC1=C(C=C(S1)Br)Br MCULE-8614528529 [0,2,0,0,0,0|2,0,0]=4 1947 B9R1.22 COC1=CC(=NN1C)C MCULE-8265747457 [0,2,0,0,0,0|1,0,1]=4 1948 B9R1.22 COC1=CC(=NN1C)N MCULE-5972576770 [0,2,0,0,0,0|1,0,1]=4 1949 B9R1.22 COC1=CC(=NN1C)N MCULE-8307201535 [0,2,0,0,0,0|1,0,1]=4 1950 B9R1.22 CSC1=CC(=NN1C)N MCULE-3878443602 [0,2,0,0,0,0|1,1,0]=4 1951 B9R1.22 FC1=C(SC(=C1)Br)CCl MCULE-3337613980 [0,2,0,0,0,0|2,0,0]=4 1952 B9R1.22 NCC1=C(C=C(S1)Br)F MCULE-6873055007 [0,2,0,0,0,0|2,0,0]=4 1953 B9R1.22 NCC1=C(C=C(S1)Br)F MCULE-9349784845 [0,2,0,0,0,0|2,0,0]=4 1954 B9R1.22 O=CC1=C(SC(=C1)Br)Br MCULE-8542189158 [0,2,0,0,0,0|2,0,0]=4 1955 B9R1.22 O=CC1=C(SC(=C1)Cl)Cl MCULE-1651908155 [0,2,0,0,0,0|2,0,0]=4 1956 B9R1.22 OCC1=C(C=C(S1)Br)Br MCULE-7959079766 [0,2,0,0,0,0|2,0,0]=4 1957 B9R1.22 OCC1=C(C=C(S1)Br)Cl MCULE-3018751195 [0,2,0,0,0,0|2,0,0]=4 1958 B9R1.22 OCC1=C(C=C(S1)Br)F MCULE-6370668657 [0,2,0,0,0,0|2,0,0]=4 1959 B9R1.27 C#CC1=C(C=NN1C)Br MCULE-7584413770 [0,2,0,0,0,0|2,0,0]=4 1960 B9R1.27 CC1=C(N(C=N1)C)C=O MCULE-3244456232 [0,2,0,0,0,0|2,0,0]=4 1961 B9R1.27 CC1=C(N(N=C1)C)C=O MCULE-3974520610 [0,2,0,0,0,0|1,0,0]=3 1962 B9R1.27 CC1=C(N(N=C1)C)CCl MCULE-7425810656 [0,2,0,0,0,0|2,0,0]=4 1963 B9R1.27 CC1=C(N(N=C1)C)CCl MCULE-9724521857 [0,2,0,0,0,0|2,0,0]=4 1964 B9R1.27 CC1=C(N(N=C1)C)CN MCULE-5225451285 [0,2,0,0,0,0|2,0,0]=4 1965 B9R1.27 CC1=C(N(N=C1)C)CO MCULE-8712382559 [0,2,0,0,0,0|1,0,1]=4 1966 B9R1.27 CC1=C(N(N=C1)C)NN MCULE-9701817951 [0,2,0,0,0,0|2,0,0]=4 1967 B9R1.27 CC1=C(N(N=C1)C)NN MCULE-9912713675 [0,2,0,0,0,0|2,0,0]=4 1968 B9R1.27 CC1=C(N(N=N1)C)C=O MCULE-8387432753 [0,2,0,0,0,0|2,0,0]=4 1969 B9R1.27 CC1=COC(=C1C=O)C MCULE-9918167650 [0,2,0,0,0,0|1,1,0]=4 1970 B9R1.27 CC1=NSC(=C1C=O)C MCULE-6142106333 [0,2,0,0,0,0|2,0,0]=4 1971 B9R1.27 CCC1=C(C=NN1C)Br MCULE-9961417964 [0,2,0,0,0,0|2,0,0]=4 1972 B9R1.27 CCC1=C(C=NN1C)I MCULE-8948958946 [0,2,0,0,0,0|2,0,0]=4 1973 B9R1.27 CCC1=C(C=NN1C)N MCULE-7086223673 [0,2,0,0,0,0|2,0,0]=4 1974 B9R1.27 CCC1=C(C=NN1C)N MCULE-7667432401 [0,2,0,0,0,0|2,0,0]=4 1975 B9R1.27 CCN1C(=O)C=CC1=O MCULE-9216989340 [0,2,0,0,0,0|1,0,0]=3 1976 B9R1.27 CN1C=CC(=C1C#N)Br MCULE-5594015295 [0,2,0,0,0,0|2,0,0]=4 1977 B9R1.27 CN1C=NC(=C1C=O)Br MCULE-4275212096 [0,2,0,0,0,0|2,0,0]=4 1978 B9R1.27 CN1C=NC(=C1C=O)I MCULE-9382448294 [0,2,0,0,0,0|2,0,0]=4 1979 B9R1.27 CN1N=CC(=C1C#N)Br MCULE-2653106615 [0,2,0,0,0,0|2,0,0]=4 1980 B9R1.27 CN1N=CC(=C1C#N)Cl MCULE-8693355974 [0,2,0,0,0,0|2,0,0]=4 1981 B9R1.27 CN1N=CC(=C1C#N)I MCULE-9180699839 [0,2,0,0,0,0|2,0,0]=4 1982 B9R1.27 CN1N=CC(=C1C#N)N MCULE-7006389215 [0,2,0,0,0,0|2,0,0]=4 1983 B9R1.27 CN1N=CC(=C1C=O)Br MCULE-1391110504 [0,2,0,0,0,0|1,0,0]=3 1984 B9R1.27 CN1N=CC(=C1C=O)Cl MCULE-5316465626 [0,2,0,0,0,0|1,0,0]=3 1985 B9R1.27 CN1N=CC(=C1C=O)I MCULE-8718104588 [0,2,0,0,0,0|1,0,0]=3 1986 B9R1.27 CN1N=CC(=C1CBr)Br MCULE-7532503077 [0,2,0,0,0,0|2,0,0]=4 1987 B9R1.27 CN1N=CC(=C1CBr)I MCULE-1250603291 [0,2,0,0,0,0|2,0,0]=4 1988 B9R1.27 CN1N=CC(=C1CBr)I MCULE-3529671740 [0,2,0,0,0,0|2,0,0]=4 1989 B9R1.27 CN1N=CC(=C1CCl)Br MCULE-7776082404 [0,2,0,0,0,0|2,0,0]=4 1990 B9R1.27 CN1N=CC(=C1CCl)Cl MCULE-5020784842 [0,2,0,0,0,0|2,0,0]=4 1991 B9R1.27 CN1N=CC(=C1CCl)I MCULE-5998677146 [0,2,0,0,0,0|2,0,0]=4 1992 B9R1.27 CN1N=CC(=C1CCl)I MCULE-9372124852 [0,2,0,0,0,0|2,0,0]=4 1993 B9R1.27 CN1N=CC(=C1CN)Br MCULE-3039225988 [0,2,0,0,0,0|2,0,0]=4 1994 B9R1.27 CN1N=CC(=C1CN)Br MCULE-7820066715 [0,2,0,0,0,0|2,0,0]=4 1995 B9R1.27 CN1N=CC(=C1CN)Cl MCULE-5793813014 [0,2,0,0,0,0|2,0,0]=4 1996 B9R1.27 CN1N=CC(=C1CN)Cl MCULE-8060205214 [0,2,0,0,0,0|2,0,0]=4 1997 B9R1.27 CN1N=CC(=C1CN)I MCULE-4892248122 [0,2,0,0,0,0|2,0,0]=4 1998 B9R1.27 CN1N=CC(=C1CN)I MCULE-5087157156 [0,2,0,0,0,0|2,0,0]=4 1999 B9R1.27 CN1N=CC(=C1CO)Br MCULE-6576973550 [0,2,0,0,0,0|1,0,1]=4 2000 B9R1.27 CN1N=CC(=C1CO)Cl MCULE-4742365046 [0,2,0,0,0,0|1,0,1]=4 2001 B9R1.27 CN1N=CC(=C1CO)F MCULE-9006277350 [0,2,0,0,0,0|1,0,1]=4 2002 B9R1.27 CN1N=CC(=C1CO)I MCULE-3424012169 [0,2,0,0,0,0|1,0,1]=4 2003 B9R1.27 CN1N=NC(=C1C=O)Br MCULE-8021667159 [0,2,0,0,0,0|2,0,0]=4 2004 B9R1.27 COC1=C(C=NN1C)Br MCULE-1507289198 [0,2,0,0,0,0|1,0,1]=4 2005 B9R1.27 CSC1=C(C=NN1C)Br MCULE-7519572323 [0,2,0,0,0,0|1,1,0]=4 2006 B9R1.27 O=C1C=CC(=O)N1CO MCULE-9063303630 [0,2,0,0,0,0|1,0,0]=3 2007 B9R1.33 C=CCC1=C(C=CS1)Br MCULE-1191292962 [0,2,0,0,0,0|2,0,0]=4 2008 B9R1.33 C=CCC1=C(C=CS1)C MCULE-2096748714 [0,2,0,0,0,0|2,0,0]=4 2009 B9R1.33 C=CCC1CC=CC1=O MCULE-7412545989 [0,2,0,0,0,0|2,0,0]=4 2010 B9R1.33 C=CCN1C=CC=C1C MCULE-4161467112 [0,2,0,0,0,0|2,0,0]=4 2011 B9R1.33 CC1=C(C=CS1)CCN MCULE-4335923243 [0,2,0,0,0,0|2,0,0]=4 2012 B9R1.33 CC1=C(C=CS1)CCN MCULE-5612169226 [0,2,0,0,0,0|2,0,0]=4 2013 B9R1.33 CC1=C(SC=C1)CCN MCULE-7676957731 [0,2,0,0,0,0|2,0,0]=4 2014 B9R1.33 CC1=C(SC=C1)CCO MCULE-6761828678 [0,2,0,0,0,0|2,0,0]=4 2015 B9R1.33 CC1=C(SC=C1)CCS MCULE-9720620027 [0,2,0,0,0,0|2,0,0]=4 2016 B9R1.33 CC1=CC=CN1CCN MCULE-7628909389 [0,2,0,0,0,0|2,0,0]=4 2017 B9R1.33 CC1=CC=CN1CCO MCULE-6284632361 [0,2,0,0,0,0|2,0,0]=4 2018 B9R1.33 CC1=CC=NN1CC#N MCULE-5368965054 [0,2,0,0,0,0|2,0,0]=4 2019 B9R1.33 CC1=CC=NN1CCBr MCULE-7000401112 [0,2,0,0,0,0|2,0,0]=4 2020 B9R1.33 CC1=CC=NN1CCCl MCULE-7045320046 [0,2,0,0,0,0|2,0,0]=4 2021 B9R1.33 CC1=CC=NN1CCF MCULE-4018054136 [0,2,0,0,0,0|2,0,0]=4 2022 B9R1.33 CC1=CC=NN1CCN MCULE-7619701122 [0,2,0,0,0,0|2,0,0]=4 2023 B9R1.33 CC1=CC=NN1CCN MCULE-9705263303 [0,2,0,0,0,0|2,0,0]=4 2024 B9R1.33 CC1=CC=NN1CCO MCULE-1096065667 [0,2,0,0,0,0|2,0,0]=4 2025 B9R1.33 CCCC1=C(SC=C1)C MCULE-5500199146 [0,2,0,0,0,0|2,0,0]=4 2026 B9R1.33 CCCN1N=CC=C1Br MCULE-4290797449 [0,2,0,0,0,0|2,0,0]=4 2027 B9R1.33 CCCN1N=CC=C1C MCULE-5834936942 [0,2,0,0,0,0|2,0,0]=4 2028 B9R1.33 CCCN1N=CC=C1F MCULE-8221822295 [0,2,0,0,0,0|2,0,0]=4 2029 B9R1.33 CCCN1N=CC=C1I MCULE-7514765349 [0,2,0,0,0,0|2,0,0]=4 2030 B9R1.33 CCCN1N=CC=C1N MCULE-8824424117 [0,2,0,0,0,0|2,0,0]=4 2031 B9R1.33 CCOC1=C(C=CS1)N MCULE-7306116118 [0,2,0,0,0,0|2,0,0]=4 2032 B9R1.33 CCSC1=C(C=CS1)C MCULE-4486744841 [0,2,0,0,0,0|2,0,0]=4 2033 B9R1.33 CN1C=CC=C1/C=N/O MCULE-6521349080 [0,2,0,0,0,0|1,0,1]=4 2034 B9R1.33 CN1C=CC=C1C=NO MCULE-3072799043 [0,2,0,0,0,0|1,0,1]=4 2035 B9R1.33 CN1C=CC=C1CC#N MCULE-3453794381 [0,2,0,0,0,0|2,0,0]=4 2036 B9R1.33 CN1C=CC=C1CCN MCULE-2377635902 [0,2,0,0,0,0|2,0,0]=4 2037 B9R1.33 CN1C=CC=C1CCO MCULE-3054175221 [0,2,0,0,0,0|1,0,1]=4 2038 B9R1.33 CN1C=NC=C1N=C=O MCULE-8269817896 [0,2,0,0,0,0|2,0,0]=4 2039 B9R1.33 CN1N=CC=C1CC#N MCULE-1413424082 [0,2,0,0,0,0|2,0,0]=4 2040 B9R1.33 CN1N=CC=C1CCBr MCULE-4876427926 [0,2,0,0,0,0|2,0,0]=4 2041 B9R1.33 CN1N=CC=C1CCCl MCULE-8516617416 [0,2,0,0,0,0|2,0,0]=4 2042 B9R1.33 CN1N=CC=C1CCCl MCULE-8582923937 [0,2,0,0,0,0|2,0,0]=4 2043 B9R1.33 CN1N=CC=C1CCN MCULE-2005560511 [0,2,0,0,0,0|2,0,0]=4 2044 B9R1.33 CN1N=CC=C1CCN MCULE-3873087461 [0,2,0,0,0,0|2,0,0]=4 2045 B9R1.33 CN1N=CC=C1CCO MCULE-6821067420 [0,2,0,0,0,0|1,0,1]=4 2046 B9R1.33 CNCC1=C(C=CS1)Br MCULE-1838094546 [0,2,0,0,0,0|2,0,0]=4 2047 B9R1.33 CNCC1=C(C=CS1)Br MCULE-9768337533 [0,2,0,0,0,0|2,0,0]=4 2048 B9R1.33 CNCC1=C(C=CS1)C MCULE-2585837513 [0,2,0,0,0,0|2,0,0]=4 2049 B9R1.33 CNCC1=C(C=CS1)C MCULE-7492710395 [0,2,0,0,0,0|2,0,0]=4 2050 B9R1.33 CNCC1=CC=CN1C MCULE-9781046168 [0,2,0,0,0,0|2,0,0]=4 2051 B9R1.33 CNCC1=CC=NN1C MCULE-7319999791 [0,2,0,0,0,0|2,0,0]=4 2052 B9R1.33 CNCC1=CC=NN1C MCULE-8020428181 [0,2,0,0,0,0|2,0,0]=4 2053 B9R1.33 COCC1=C(C=CS1)Br MCULE-8872187979 [0,2,0,0,0,0|2,0,0]=4 2054 B9R1.33 COCC1=CC=NN1C MCULE-5825522308 [0,2,0,0,0,0|1,0,1]=4 2055 B9R1.33 N#CCC1=C(C=CS1)Br MCULE-1195686168 [0,2,0,0,0,0|2,0,0]=4 2056 B9R1.33 N#CCC1=C(C=CS1)Cl MCULE-5641718496 [0,2,0,0,0,0|2,0,0]=4 2057 B9R1.33 N#CCN1N=CC=C1N MCULE-6329463417 [0,2,0,0,0,0|2,0,0]=4 2058 B9R1.33 N(C)CC1=CC=CN1C MCULE-6962332906 [0,2,0,0,0,0|2,0,0]=4 2059 B9R1.33 NC1=CC=NN1CCF MCULE-2167865985 [0,2,0,0,0,0|2,0,0]=4 2060 B9R1.33 NC1=CC=NN1CCF MCULE-6186486594 [0,2,0,0,0,0|2,0,0]=4 2061 B9R1.33 NC1=CC=NN1CCO MCULE-6873805931 [0,2,0,0,0,0|2,0,0]=4 2062 B9R1.33 NCCC1=C(C=CS1)Br MCULE-1244482518 [0,2,0,0,0,0|2,0,0]=4 2063 B9R1.33 NCCC1=C(C=CS1)F MCULE-2149177994 [0,2,0,0,0,0|2,0,0]=4 2064 B9R1.33 NCCC1=C(C=CS1)F MCULE-6557841881 [0,2,0,0,0,0|2,0,0]=4 2065 B9R1.33 O=C1NC=CN1CCCl MCULE-5294942602 [0,2,0,0,0,0|2,0,0]=4 2066 B9R1.33 OCCC1=C(C=CS1)Br MCULE-2838253240 [0,2,0,0,0,0|2,0,0]=4 2067 B9R1.41 CC(=O)C1=C(C=CS1)Br MCULE-5647265915 [0,2,0,0,0,0|2,0,0]=4 2068 B9R1.41 CC(=O)C1=C(C=CS1)C MCULE-5541139517 [0,2,0,0,0,0|2,0,0]=4 2069 B9R1.41 CC(=O)C1=C(C=CS1)Cl MCULE-8386402514 [0,2,0,0,0,0|2,0,0]=4 2070 B9R1.41 CC(=O)C1=C(C=CS1)F MCULE-4616537977 [0,2,0,0,0,0|2,0,0]=4 2071 B9R1.41 CC(=O)C1=C(C=CS1)I MCULE-5212768788 [0,2,0,0,0,0|2,0,0]=4 2072 B9R1.41 CC(=O)C1=C(C=CS1)N MCULE-7632096921 [0,2,0,0,0,0|2,0,0]=4 2073 B9R1.41 CC(=O)C1=C(C=CS1)O MCULE-8852731264 [0,2,0,0,0,0|1,0,1]=4 2074 B9R1.41 CC(=O)C1=C(NC=C1)C MCULE-8216611591 [0,2,0,0,0,0|2,0,0]=4 2075 B9R1.41 CC(=O)C1=C(SC=C1)Br MCULE-1124146254 [0,2,0,0,0,0|2,0,0]=4 2076 B9R1.41 CC(=O)C1=C(SC=C1)N MCULE-9310559168 [0,2,0,0,0,0|2,0,0]=4 2077 B9R1.41 CC(=O)C1=C(SC=N1)C MCULE-5308658101 [0,2,0,0,0,0|2,0,0]=4 2078 B9R1.41 CC(=O)C1=CC=CN1C MCULE-2872976165 [0,2,0,0,0,0|1,0,0]=3 2079 B9R1.41 CC(=O)C1=CC=NN1C MCULE-1996404405 [0,2,0,0,0,0|1,0,0]=3 2080 B9R1.41 CC(=O)C1=CN=CN1C MCULE-3076045100 [0,2,0,0,0,0|2,0,0]=4 2081 B9R1.41 CC(=O)C1=CN=CN1C MCULE-3949595611 [0,2,0,0,0,0|2,0,0]=4 2082 B9R1.41 CC(=O)C1=CN=NN1C MCULE-3249424842 [0,2,0,0,0,0|2,0,0]=4 2083 B9R1.41 CC(=O)C1=NC=CN1C MCULE-6256455572 [0,2,0,0,0,0|2,0,0]=4 2084 B9R1.41 CC(=O)C1=NC=NN1C MCULE-9930464746 [0,2,0,0,0,0|2,0,0]=4 2085 B9R1.41 CC(=O)N1C=CC=C1Br MCULE-4023339296 [0,2,0,0,0,0|2,0,0]=4 2086 B9R1.41 CC(=O)N1C=COC1=O MCULE-6512538062 [0,2,0,0,0,0|2,0,0]=4 2087 B9R1.41 CC(C)C1=CC=NN1C MCULE-3393174505 [0,2,0,0,0,0|2,0,0]=4 2088 B9R1.41 CC(C)N1N=CC=C1Br MCULE-7160508128 [0,2,0,0,0,0|2,0,0]=4 2089 B9R1.41 CC(C)N1N=CC=C1F MCULE-7693041850 [0,2,0,0,0,0|2,0,0]=4 2090 B9R1.41 CC(C)N1N=CC=C1I MCULE-3982502025 [0,2,0,0,0,0|2,0,0]=4 2091 B9R1.41 CC(C)N1N=CC=C1N MCULE-4632775745 [0,2,0,0,0,0|2,0,0]=4 2092 B9R1.41 CC(C)N1N=CC=C1O MCULE-9546876190 [0,2,0,0,0,0|1,0,1]=4 2093 B9R1.41 CC(C)N1NC=CC1=O MCULE-6711755667 [0,2,0,0,0,0|1,0,0]=3 2094 B9R1.41 CC(N)C1=CC=NN1C MCULE-4011319995 [0,2,0,0,0,0|2,0,0]=4 2095 B9R1.41 CC(N)C1=CC=NN1C MCULE-8739995109 [0,2,0,0,0,0|2,0,0]=4 2096 B9R1.41 CC(N)C1=CC=NN1C MCULE-9717085637 [0,2,0,0,0,0|2,0,0]=4 2097 B9R1.41 CC(O)C1=CC=NN1C MCULE-8594084712 [0,2,0,0,0,0|1,0,1]=4 2098 B9R1.41 CC1=C(C=CN1)C(=O)O MCULE-5422010043 [0,2,0,0,0,0|2,0,0]=4 2099 B9R1.41 CC1=C(C=CN1)N(=O)=O MCULE-6767706308 [0,2,0,0,0,0|2,0,0]=4 2100 B9R1.41 CC1=C(C=CO1)C(=O)Cl MCULE-7084217728 [0,2,0,0,0,0|1,1,0]=4 2101 B9R1.41 CC1=C(C=CO1)C(=O)N MCULE-7846664403 [0,2,0,0,0,0|1,1,0]=4 2102 B9R1.41 CC1=C(C=CO1)C(=O)O MCULE-6104152288 [0,2,0,0,0,0|1,1,0]=4 2103 B9R1.41 CC1=C(C=CS1)B(O)O MCULE-3625212025 [0,2,0,0,0,0|1,0,1]=4 2104 B9R1.41 CC1=C(C=CS1)C(=O)Cl MCULE-2356438285 [0,2,0,0,0,0|1,0,0]=3 2105 B9R1.41 CC1=C(C=CS1)C(=O)N MCULE-7443569195 [0,2,0,0,0,0|1,0,0]=3 2106 B9R1.41 CC1=C(C=CS1)C(=O)O MCULE-7306254893 [0,2,0,0,0,0|1,0,0]=3 2107 B9R1.41 CC1=C(C=CS1)N(=O)=O MCULE-7554237373 [0,2,0,0,0,0|1,0,0]=3 2108 B9R1.41 CC1=C(C=NS1)C(=O)O MCULE-8021727078 [0,2,0,0,0,0|2,0,0]=4 2109 B9R1.41 CC1=C(N=CS1)C(=O)Cl MCULE-4278393547 [0,2,0,0,0,0|2,0,0]=4 2110 B9R1.41 CC1=C(N=CS1)C(=O)O MCULE-9908235231 [0,2,0,0,0,0|2,0,0]=4 2111 B9R1.41 CC1=C(SC=C1)C(C)O MCULE-1182705130 [0,2,0,0,0,0|2,0,0]=4 2112 B9R1.41 CC1=C(SC=C1)C(F)F MCULE-4394726231 [0,2,0,0,0,0|2,0,0]=4 2113 B9R1.41 CC1=C(SC=C1)[C@@H](C)N MCULE-1689549661 [0,2,0,0,0,0|2,0,0]=4 2114 B9R1.41 CC1=C(SC=C1)[C@@H](C)N MCULE-5293014313 [0,2,0,0,0,0|2,0,0]=4 2115 B9R1.41 CC1=C(SC=C1)[C@H](C)N MCULE-4541491296 [0,2,0,0,0,0|2,0,0]=4 2116 B9R1.41 CC1=C(SC=C1)[C@H](C)N MCULE-9714566255 [0,2,0,0,0,0|2,0,0]=4 2117 B9R1.41 CC1=CC=NN1C(C)C MCULE-4699307730 [0,2,0,0,0,0|2,0,0]=4 2118 B9R1.41 CC1=CC=NN1C(F)F MCULE-4860584685 [0,2,0,0,0,0|2,0,0]=4 2119 B9R1.41 CN1C=CC=C1C(=O)Cl MCULE-9923294155 [0,2,0,0,0,0|1,0,0]=3 2120 B9R1.41 CN1C=CC=C1C(=O)N MCULE-9600769007 [0,2,0,0,0,0|1,0,0]=3 2121 B9R1.41 CN1C=CC=C1C(=O)O MCULE-8318842554 [0,2,0,0,0,0|1,0,0]=3 2122 B9R1.41 CN1C=CC=C1N(=O)=O MCULE-6295371466 [0,2,0,0,0,0|1,0,0]=3 2123 B9R1.41 CN1C=CN=C1C(=O)N MCULE-7685079836 [0,2,0,0,0,0|2,0,0]=4 2124 B9R1.41 CN1C=CN=C1C(=O)O MCULE-4526628775 [0,2,0,0,0,0|2,0,0]=4 2125 B9R1.41 CN1C=CN=C1C(=O)[O-] MCULE-4921125287 [0,2,0,0,0,0|2,0,0]=4 2126 B9R1.41 CN1C=CN=C1N(=O)=O MCULE-9100999348 [0,2,0,0,0,0|2,0,0]=4 2127 B9R1.41 CN1C=NC=C1C(=O)Cl MCULE-3181753592 [0,2,0,0,0,0|2,0,0]=4 2128 B9R1.41 CN1C=NC=C1C(=O)Cl MCULE-6132331993 [0,2,0,0,0,0|2,0,0]=4 2129 B9R1.41 CN1C=NC=C1C(=O)N MCULE-9320798044 [0,2,0,0,0,0|2,0,0]=4 2130 B9R1.41 CN1C=NC=C1C(=O)O MCULE-8948481474 [0,2,0,0,0,0|2,0,0]=4 2131 B9R1.41 CN1C=NC=C1N(=O)=O MCULE-6339195817 [0,2,0,0,0,0|2,0,0]=4 2132 B9R1.41 CN1CC=CC1C(=O)O MCULE-5525753116 [0,2,0,0,0,0|1,0,1]=4 2133 B9R1.41 CN1CC=CC1C(=O)O MCULE-8585806688 [0,2,0,0,0,0|1,0,1]=4 2134 B9R1.41 CN1N=CC=C1B(O)O MCULE-6132045308 [0,2,0,0,0,0|1,0,1]=4 2135 B9R1.41 CN1N=CC=C1C(=O)Cl MCULE-5141395675 [0,2,0,0,0,0|1,0,0]=3 2136 B9R1.41 CN1N=CC=C1C(=O)N MCULE-9858917116 [0,2,0,0,0,0|1,0,0]=3 2137 B9R1.41 CN1N=CC=C1C(=O)O MCULE-2921786113 [0,2,0,0,0,0|1,0,0]=3 2138 B9R1.41 CN1N=CC=C1C(=S)N MCULE-4377113227 [0,2,0,0,0,0|1,1,0]=4 2139 B9R1.41 CN1N=CC=C1C(F)F MCULE-1472652853 [0,2,0,0,0,0|2,0,0]=4 2140 B9R1.41 CN1N=CC=C1N(=O)=O MCULE-7345193899 [0,2,0,0,0,0|1,0,0]=3 2141 B9R1.41 CN1N=CN=C1C(=O)O MCULE-5122799901 [0,2,0,0,0,0|2,0,0]=4 2142 B9R1.41 CN1N=CN=C1N(=O)=O MCULE-3772656545 [0,2,0,0,0,0|2,0,0]=4 2143 B9R1.41 CN1N=NC=C1C(=O)N MCULE-9192785462 [0,2,0,0,0,0|2,0,0]=4 2144 B9R1.41 CN1N=NC=C1C(=O)O MCULE-9709099520 [0,2,0,0,0,0|2,0,0]=4 2145 B9R1.41 CN1N=NC=C1N(=O)=O MCULE-2207929184 [0,2,0,0,0,0|2,0,0]=4 2146 B9R1.41 CS(=O)C1=C(SC=C1)Br MCULE-1583542858 [0,2,0,0,0,0|2,0,0]=4 2147 B9R1.41 C[C@@H](N)C1=C(C=CS1)Br MCULE-2232903548 [0,2,0,0,0,0|2,0,0]=4 2148 B9R1.41 C[C@@H](N)C1=C(C=CS1)Br MCULE-4079883161 [0,2,0,0,0,0|2,0,0]=4 2149 B9R1.41 C[C@@H](N)C1=C(C=CS1)Cl MCULE-6890001273 [0,2,0,0,0,0|2,0,0]=4 2150 B9R1.41 C[C@@H](N)C1=C(C=CS1)Cl MCULE-6953727529 [0,2,0,0,0,0|2,0,0]=4 2151 B9R1.41 C[C@@H](N)C1=CC=CN1C MCULE-5678951227 [0,2,0,0,0,0|2,0,0]=4 2152 B9R1.41 C[C@@H](N)C1=CC=CN1C MCULE-7405067099 [0,2,0,0,0,0|2,0,0]=4 2153 B9R1.41 C[C@@H](N)C1=CC=NN1C MCULE-3704979006 [0,2,0,0,0,0|2,0,0]=4 2154 B9R1.41 C[C@@H](N)C1=CC=NN1C MCULE-3713875274 [0,2,0,0,0,0|2,0,0]=4 2155 B9R1.41 C[C@@H](O)C1=CC=NN1C MCULE-2216681430 [0,2,0,0,0,0|1,0,1]=4 2156 B9R1.41 C[C@H](N)C1=C(C=CS1)Br MCULE-5885092100 [0,2,0,0,0,0|2,0,0]=4 2157 B9R1.41 C[C@H](N)C1=C(C=CS1)Br MCULE-7090528346 [0,2,0,0,0,0|2,0,0]=4 2158 B9R1.41 C[C@H](N)C1=C(C=CS1)Cl MCULE-6407730936 [0,2,0,0,0,0|2,0,0]=4 2159 B9R1.41 C[C@H](N)C1=C(C=CS1)Cl MCULE-6869055782 [0,2,0,0,0,0|2,0,0]=4 2160 B9R1.41 C[C@H](N)C1=CC=CN1C MCULE-1315780329 [0,2,0,0,0,0|2,0,0]=4 2161 B9R1.41 C[C@H](N)C1=CC=CN1C MCULE-5516857990 [0,2,0,0,0,0|2,0,0]=4 2162 B9R1.41 C[C@H](N)C1=CC=NN1C MCULE-2811622230 [0,2,0,0,0,0|2,0,0]=4 2163 B9R1.41 C[C@H](N)C1=CC=NN1C MCULE-6570933086 [0,2,0,0,0,0|2,0,0]=4 2164 B9R1.41 C[C@H](O)C1=CC=NN1C MCULE-6951897963 [0,2,0,0,0,0|1,0,1]=4 2165 B9R1.41 FC(F)C1=C(C=CS1)Br MCULE-2818131958 [0,2,0,0,0,0|2,0,0]=4 2166 B9R1.41 FC(F)N1N=CC=C1Br MCULE-5630480473 [0,2,0,0,0,0|2,0,0]=4 2167 B9R1.41 FC(F)N1N=CC=C1I MCULE-2644838900 [0,2,0,0,0,0|2,0,0]=4 2168 B9R1.41 NC(=O)C1=C(SC=C1)Br MCULE-5260760620 [0,2,0,0,0,0|2,0,0]=4 2169 B9R1.41 NC(=O)C1=C(SC=C1)Cl MCULE-5331292430 [0,2,0,0,0,0|2,0,0]=4 2170 B9R1.41 NC(=O)C1=C(SC=C1)F MCULE-4177756039 [0,2,0,0,0,0|2,0,0]=4 2171 B9R1.41 NC(=O)C1=C(SC=C1)N MCULE-9368384927 [0,2,0,0,0,0|2,0,0]=4 2172 B9R1.41 NC(=O)C1=CC=CN1N MCULE-1864141684 [0,2,0,0,0,0|2,0,0]=4 2173 B9R1.41 NC(=O)C1=CC=CN1N MCULE-3895127155 [0,2,0,0,0,0|2,0,0]=4 2174 B9R1.41 NC1=C(C=CS1)C(=O)O MCULE-8893386109 [0,2,0,0,0,0|2,0,0]=4 2175 B9R1.41 NC1=C(C=CS1)C(=O)[O-] MCULE-3569263089 [0,2,0,0,0,0|2,0,0]=4 2176 B9R1.41 NC1=CC=NN1C(F)F MCULE-3145273510 [0,2,0,0,0,0|2,0,0]=4 2177 B9R1.41 NC1=CC=NN1C(F)F MCULE-8203697109 [0,2,0,0,0,0|2,0,0]=4 2178 B9R1.41 O=C(Cl)C1=C(SC=C1)Br MCULE-4983958272 [0,2,0,0,0,0|2,0,0]=4 2179 B9R1.41 O=C(O)C1=C(SC=C1)Br MCULE-3649446439 [0,2,0,0,0,0|2,0,0]=4 2180 B9R1.41 O=C(O)C1=C(SC=C1)Cl MCULE-3384760583 [0,2,0,0,0,0|2,0,0]=4 2181 B9R1.41 O=C(O)C1=C(SC=C1)F MCULE-8530480017 [0,2,0,0,0,0|2,0,0]=4 2182 B9R1.41 O=C(O)C1=C(SC=C1)I MCULE-5941903001 [0,2,0,0,0,0|2,0,0]=4 2183 B9R1.41 O=N(=O)C1=C(SC=C1)Br MCULE-4855330547 [0,2,0,0,0,0|2,0,0]=4 2184 B9R1.41 O=N(=O)C1=C(SC=C1)Cl MCULE-5599478338 [0,2,0,0,0,0|2,0,0]=4 2185 B9R1.132 C#CC1=C(N(C=C1)C)N MCULE-2719445912 [0,2,0,0,0,0|2,0,0]=4 2186 B9R1.132 C#CC1=C(N(N=C1)C)C MCULE-3110464290 [0,2,0,0,0,0|2,0,0]=4 2187 B9R1.132 CC1=C(C(=CS1)C=O)C MCULE-1936985996 [0,2,0,0,0,0|2,0,0]=4 2188 B9R1.132 CC1=C(C(=CS1)CN)C MCULE-6043538790 [0,2,0,0,0,0|2,0,0]=4 2189 B9R1.132 CC1=C(C(=CS1)CO)C MCULE-7302048341 [0,2,0,0,0,0|2,0,0]=4 2190 B9R1.132 CC1=C(C=NN1C)C#N MCULE-5767730828 [0,2,0,0,0,0|2,0,0]=4 2191 B9R1.132 CC1=C(C=NN1C)C=O MCULE-2236453081 [0,2,0,0,0,0|2,0,0]=4 2192 B9R1.132 CC1=C(C=NN1C)CBr MCULE-2582075491 [0,2,0,0,0,0|2,0,0]=4 2193 B9R1.132 CC1=C(C=NN1C)CCl MCULE-5476535301 [0,2,0,0,0,0|2,0,0]=4 2194 B9R1.132 CC1=C(C=NN1C)CCl MCULE-9923512251 [0,2,0,0,0,0|2,0,0]=4 2195 B9R1.132 CC1=C(C=NN1C)CN MCULE-2838023523 [0,2,0,0,0,0|2,0,0]=4 2196 B9R1.132 CC1=C(C=NN1C)CN MCULE-5461313572 [0,2,0,0,0,0|2,0,0]=4 2197 B9R1.132 CC1=C(C=NN1C)CN MCULE-7849952516 [0,2,0,0,0,0|2,0,0]=4 2198 B9R1.132 CC1=C(C=NN1C)CO MCULE-5640812204 [0,2,0,0,0,0|2,0,0]=4 2199 B9R1.132 CC1=CC=C(N1C)C#N MCULE-4848841290 [0,2,0,0,0,0|2,0,0]=4 2200 B9R1.132 CC1=CC=C(N1C)C=O MCULE-6660852220 [0,2,0,0,0,0|1,0,0]=3 2201 B9R1.132 CC1=CC=C(N1C)CN MCULE-6062893114 [0,2,0,0,0,0|2,0,0]=4 2202 B9R1.132 CC1=CN=C(N1C)C=O MCULE-8491335694 [0,2,0,0,0,0|2,0,0]=4 2203 B9R1.132 CC1=CSC(=C1Cl)CO MCULE-8548431611 [0,2,0,0,0,0|2,0,0]=4 2204 B9R1.132 CC1=NC=C(N1C)C=O MCULE-5171530868 [0,2,0,0,0,0|2,0,0]=4 2205 B9R1.132 CCC1=C(N(N=C1)C)N MCULE-3525442820 [0,2,0,0,0,0|2,0,0]=4 2206 B9R1.132 CCN1CCC(=O)C1=O MCULE-7001636786 [0,2,0,0,0,0|1,0,1]=4 2207 B9R1.132 CCN1N=CC(=C1C)Br MCULE-6680504938 [0,2,0,0,0,0|2,0,0]=4 2208 B9R1.132 CCN1N=CC(=C1C)Cl MCULE-3468403670 [0,2,0,0,0,0|2,0,0]=4 2209 B9R1.132 CCN1N=CC(=C1C)I MCULE-1806526933 [0,2,0,0,0,0|2,0,0]=4 2210 B9R1.132 CCN1N=CC(=C1C)N MCULE-1923546681 [0,2,0,0,0,0|2,0,0]=4 2211 B9R1.132 CCN1N=CC(=C1C)N MCULE-5608335799 [0,2,0,0,0,0|2,0,0]=4 2212 B9R1.132 CCN1N=CC(=C1C)N MCULE-9649225025 [0,2,0,0,0,0|2,0,0]=4 2213 B9R1.132 CCN1N=CC(=C1C)O MCULE-2415979635 [0,2,0,0,0,0|2,0,0]=4 2214 B9R1.132 CCN1N=CC(=C1F)Br MCULE-6430196122 [0,2,0,0,0,0|2,0,0]=4 2215 B9R1.132 CCN1N=CC(=C1F)I MCULE-6510719632 [0,2,0,0,0,0|2,0,0]=4 2216 B9R1.132 CCN1N=CC(=C1N)C MCULE-6417202265 [0,2,0,0,0,0|2,0,0]=4 2217 B9R1.132 CCN1N=CN(C1=O)N MCULE-4659849847 [0,2,0,0,0,0|2,0,0]=4 2218 B9R1.132 CN1C(=CC=C1C=O)Br MCULE-8695304717 [0,2,0,0,0,0|1,0,0]=3 2219 B9R1.132 CN1C(=CN=C1Br)C=O MCULE-3599606638 [0,2,0,0,0,0|2,0,0]=4 2220 B9R1.132 CN1C(=CN=C1C=O)Br MCULE-9405059564 [0,2,0,0,0,0|2,0,0]=4 2221 B9R1.132 CN1C(=CN=C1C=O)Cl MCULE-6125790714 [0,2,0,0,0,0|2,0,0]=4 2222 B9R1.132 CN1C(=CN=C1Cl)C=O MCULE-7321695667 [0,2,0,0,0,0|2,0,0]=4 2223 B9R1.132 CN1N=CC(=C1Br)C#N MCULE-8678541822 [0,2,0,0,0,0|2,0,0]=4 2224 B9R1.132 CN1N=CC(=C1Br)C=O MCULE-1700683136 [0,2,0,0,0,0|2,0,0]=4 2225 B9R1.132 CN1N=CC(=C1Br)CO MCULE-8281711882 [0,2,0,0,0,0|2,0,0]=4 2226 B9R1.132 CN1N=CC(=C1Cl)C#N MCULE-7209867404 [0,2,0,0,0,0|2,0,0]=4 2227 B9R1.132 CN1N=CC(=C1Cl)C=O MCULE-9919512270 [0,2,0,0,0,0|2,0,0]=4 2228 B9R1.132 CN1N=CC(=C1Cl)CO MCULE-6709580642 [0,2,0,0,0,0|2,0,0]=4 2229 B9R1.132 CN1N=CC(=C1F)C#N MCULE-6963241881 [0,2,0,0,0,0|2,0,0]=4 2230 B9R1.132 CN1N=CC(=C1F)C=O MCULE-6455091220 [0,2,0,0,0,0|2,0,0]=4 2231 B9R1.132 CN1N=CC(=C1F)CBr MCULE-4300548648 [0,2,0,0,0,0|2,0,0]=4 2232 B9R1.132 CN1N=CC(=C1F)CCl MCULE-9687258147 [0,2,0,0,0,0|2,0,0]=4 2233 B9R1.132 CN1N=CC(=C1F)CN MCULE-3367244550 [0,2,0,0,0,0|2,0,0]=4 2234 B9R1.132 CN1N=CC(=C1F)CN MCULE-4349622720 [0,2,0,0,0,0|2,0,0]=4 2235 B9R1.132 CN1N=CC(=C1F)CO MCULE-5457422306 [0,2,0,0,0,0|2,0,0]=4 2236 B9R1.132 CN1N=CC(=C1N)C#N MCULE-7786885619 [0,2,0,0,0,0|2,0,0]=4 2237 B9R1.132 CN1N=CC(=C1N)C=O MCULE-7151883390 [0,2,0,0,0,0|2,0,0]=4 2238 B9R1.132 CN1N=CC(=C1N)CN MCULE-6353262026 [0,2,0,0,0,0|2,0,0]=4 2239 B9R1.132 COC1=C(N(N=C1)C)Br MCULE-1816621115 [0,2,0,0,0,0|2,0,0]=4 2240 B9R1.132 CSC1=C(C(=CS1)Br)Br MCULE-8838373250 [0,2,0,0,0,0|2,0,0]=4 2241 B9R1.23 C#CC1=CC(=C(S1)C)C MCULE-8794685528 [0,2,0,0,0,0|2,0,0]=4 2242 B9R1.23 C#CC1=NN(C(=C1)F)C MCULE-3903518290 [0,2,0,0,0,0|2,0,0]=4 2243 B9R1.23 CC1=C(C=C(S1)C=O)Br MCULE-2800997239 [0,2,0,0,0,0|2,0,0]=4 2244 B9R1.23 CC1=C(C=C(S1)CO)Br MCULE-1541160308 [0,2,0,0,0,0|2,0,0]=4 2245 B9R1.23 CC1=C(SC(=C1)C=O)C MCULE-9358849275 [0,2,0,0,0,0|2,0,0]=4 2246 B9R1.23 CC1=C(SC(=C1)CN)C MCULE-7097024950 [0,2,0,0,0,0|2,0,0]=4 2247 B9R1.23 CC1=C(SC(=C1)CN)C MCULE-7522932400 [0,2,0,0,0,0|2,0,0]=4 2248 B9R1.23 CC1=CC(=NN1C)C#N MCULE-2546357767 [0,2,0,0,0,0|2,0,0]=4 2249 B9R1.23 CC1=CC(=NN1C)C=O MCULE-9090264612 [0,2,0,0,0,0|2,0,0]=4 2250 B9R1.23 CC1=CC(=NN1C)CCl MCULE-3461753665 [0,2,0,0,0,0|2,0,0]=4 2251 B9R1.23 CC1=CC(=NN1C)CCl MCULE-3774171154 [0,2,0,0,0,0|2,0,0]=4 2252 B9R1.23 CC1=CC(=NN1C)CN MCULE-3081630504 [0,2,0,0,0,0|2,0,0]=4 2253 B9R1.23 CC1=CC(=NN1C)CN MCULE-3309257269 [0,2,0,0,0,0|2,0,0]=4 2254 B9R1.23 CC1=CC(=NN1C)CO MCULE-8074181715 [0,2,0,0,0,0|2,0,0]=4 2255 B9R1.23 CCC1=NN(C(=C1)Cl)C MCULE-2576667241 [0,2,0,0,0,0|2,0,0]=4 2256 B9R1.23 CCC1=NN(C(=C1)N)C MCULE-8650289316 [0,2,0,0,0,0|2,0,0]=4 2257 B9R1.23 CCC1=NN(C(=C1)O)C MCULE-9428010792 [0,2,0,0,0,0|1,0,1]=4 2258 B9R1.23 CCC1=NN(C(=O)C1)C MCULE-5141838140 [0,2,0,0,0,0|1,0,1]=4 2259 B9R1.23 CN1C=C(C=C1N)C#N MCULE-4837298960 [0,2,0,0,0,0|2,0,0]=4 2260 B9R1.23 CN1C=C(SC1=O)C=O MCULE-1230936883 [0,2,0,0,0,0|2,0,0]=4 2261 B9R1.23 CN1C=C(SC1=O)CO MCULE-5865881855 [0,2,0,0,0,0|2,0,0]=4 2262 B9R1.23 CN1N=C(C=C1Cl)CCl MCULE-2244503939 [0,2,0,0,0,0|2,0,0]=4 2263 B9R1.23 CN1N=C(C=C1F)C#N MCULE-6662066227 [0,2,0,0,0,0|2,0,0]=4 2264 B9R1.23 CN1N=C(C=C1F)C=O MCULE-8982338107 [0,2,0,0,0,0|2,0,0]=4 2265 B9R1.23 CN1N=C(C=C1F)CBr MCULE-7181719258 [0,2,0,0,0,0|2,0,0]=4 2266 B9R1.23 CN1N=C(C=C1F)CCl MCULE-6897433896 [0,2,0,0,0,0|2,0,0]=4 2267 B9R1.23 CN1N=C(C=C1F)CN MCULE-5217735563 [0,2,0,0,0,0|2,0,0]=4 2268 B9R1.23 CN1N=C(C=C1F)CO MCULE-4555352457 [0,2,0,0,0,0|2,0,0]=4 2269 B9R1.23 CN1N=C(C=C1I)C=O MCULE-8179744673 [0,2,0,0,0,0|2,0,0]=4 2270 B9R1.23 CN1N=C(C=C1I)CCl MCULE-1218318442 [0,2,0,0,0,0|2,0,0]=4 2271 B9R1.23 CN1N=C(C=C1I)CN MCULE-1872743295 [0,2,0,0,0,0|2,0,0]=4 2272 B9R1.23 CN1N=C(C=C1I)CO MCULE-5950536186 [0,2,0,0,0,0|2,0,0]=4 2273 B9R1.23 CN1N=C(C=C1N)CO MCULE-4314122487 [0,2,0,0,0,0|2,0,0]=4 2274 B9R1.23 CN1N=C(C=C1N)CO MCULE-4997485585 [0,2,0,0,0,0|2,0,0]=4 2275 B9R1.23 CN1N=C(NC1=O)CCl MCULE-4036377310 [0,2,0,0,0,0|2,0,0]=4 2276 B9R1.23 CN1NC(=NC1=O)CN MCULE-1415705683 [0,2,0,0,0,0|2,0,0]=4 2277 B9R1.23 CNC1=NN(C(=C1)C)C MCULE-4221105624 [0,2,0,0,0,0|2,0,0]=4 2278 B9R1.23 COC1=CC(=O)N(C1)C MCULE-8240420653 [0,2,0,0,0,0|1,0,0]=3 2279 B9R1.23 COC1=NN(C(=C1)C)C MCULE-7298483629 [0,2,0,0,0,0|2,0,0]=4 2280 B9R1.23 COC1=NN(C(=C1)N)C MCULE-6929688723 [0,2,0,0,0,0|2,0,0]=4 2281 B9R1.23 COC1=NN(C(=C1)N)C MCULE-8436366696 [0,2,0,0,0,0|2,0,0]=4 2282 B9R1.23 CSC1=CC(=C(S1)C)Br MCULE-7798062989 [0,2,0,0,0,0|2,0,0]=4 2283 B9R1.23 CSC1=NN(C(=C1)N)C MCULE-3569301984 [0,2,0,0,0,0|2,0,0]=4 2284 B9R1.37 C1(C(=O)OC(=O)N1C)C MCULE-3598751334 [0,2,0,0,0,0|2,0,0]=4 2285 B9R1.37 CC1=C(C(=C(S1)Br)C)Br MCULE-1119556674 [0,2,0,0,0,0|2,0,0]=4 2286 B9R1.37 CC1=C(C(=C(S1)C)Br)Br MCULE-5327537163 [0,2,0,0,0,0|2,0,0]=4 2287 B9R1.37 CC1=C(C(=C(S1)C)C)C MCULE-7106468133 [0,2,0,0,0,0|2,0,0]=4 2288 B9R1.37 CC1=C(C(=C(S1)C)I)C MCULE-1359993386 [0,2,0,0,0,0|2,0,0]=4 2289 B9R1.37 CC1=C(C(=C(S1)I)Br)I MCULE-4575283358 [0,2,0,0,0,0|2,0,0]=4 2290 B9R1.37 CC1=C(C(=N)N(N1)C)C MCULE-1559624544 [0,2,0,0,0,0|2,0,0]=4 2291 B9R1.37 CC1=C(C(=NN1C)Br)Br MCULE-3972425542 [0,2,0,0,0,0|2,0,0]=4 2292 B9R1.37 CC1=C(C(=NN1C)N)Br MCULE-9384476589 [0,2,0,0,0,0|2,0,0]=4 2293 B9R1.37 CC1=C(C(=NN1C)N)Cl MCULE-1830872053 [0,2,0,0,0,0|2,0,0]=4 2294 B9R1.37 CC1=C(C(=NN1C)N)Cl MCULE-8836840490 [0,2,0,0,0,0|2,0,0]=4 2295 B9R1.37 CC1=C(C(=NN1C)N)I MCULE-2162342386 [0,2,0,0,0,0|2,0,0]=4 2296 B9R1.37 CC1=C(C(=NN1C)N)I MCULE-9840261360 [0,2,0,0,0,0|2,0,0]=4 2297 B9R1.37 CC1=C(C(=NN1C)N)N MCULE-1668416207 [0,2,0,0,0,0|2,0,0]=4 2298 B9R1.37 CC1=C(C(=NN1C)N)N MCULE-1774245850 [0,2,0,0,0,0|2,0,0]=4 2299 B9R1.37 CC1=C(C(=O)C(O1)C)O MCULE-3813239281 [0,2,0,0,0,0|1,1,0]=4 2300 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-4200291906 [0,2,0,0,0,0|2,0,0]=4 2301 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-6554777788 [0,2,0,0,0,0|2,0,0]=4 2302 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-1955900673 [0,2,0,0,0,0|2,0,0]=4 2303 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-3848588925 [0,2,0,0,0,0|2,0,0]=4 2304 B9R1.37 CC1=CC(=[N+](N1C)C)C MCULE-7793276074 [0,2,0,0,0,0|2,0,0]=4 2305 B9R1.37 CC1=CC(=[N+](N1C)C)C MCULE-8655099411 [0,2,0,0,0,0|2,0,0]=4 2306 B9R1.37 CC1=NN(C(=C1Br)Br)C MCULE-5217381860 [0,2,0,0,0,0|2,0,0]=4 2307 B9R1.37 CC1=NN(C(=C1Br)C)C MCULE-3354514324 [0,2,0,0,0,0|2,0,0]=4 2308 B9R1.37 CC1=NN(C(=C1Br)Cl)C MCULE-7759940514 [0,2,0,0,0,0|2,0,0]=4 2309 B9R1.37 CC1=NN(C(=C1Br)F)C MCULE-7751966678 [0,2,0,0,0,0|2,0,0]=4 2310 B9R1.37 CC1=NN(C(=C1Br)N)C MCULE-7747888006 [0,2,0,0,0,0|2,0,0]=4 2311 B9R1.37 CC1=NN(C(=C1Br)N)C MCULE-7753134971 [0,2,0,0,0,0|2,0,0]=4 2312 B9R1.37 CC1=NN(C(=C1C)N)C MCULE-4301465181 [0,2,0,0,0,0|2,0,0]=4 2313 B9R1.37 CC1=NN(C(=C1Cl)Br)C MCULE-4848267992 [0,2,0,0,0,0|2,0,0]=4 2314 B9R1.37 CC1=NN(C(=C1Cl)C)C MCULE-2948179697 [0,2,0,0,0,0|2,0,0]=4 2315 B9R1.37 CC1=NN(C(=C1Cl)I)C MCULE-1760688764 [0,2,0,0,0,0|2,0,0]=4 2316 B9R1.37 CC1=NN(C(=C1Cl)N)C MCULE-4638340395 [0,2,0,0,0,0|2,0,0]=4 2317 B9R1.37 CC1=NN(C(=C1Cl)N)C MCULE-6948663671 [0,2,0,0,0,0|2,0,0]=4 2318 B9R1.37 CC1=NN(C(=C1I)C)C MCULE-7816933722 [0,2,0,0,0,0|2,0,0]=4 2319 B9R1.37 CC1=NN(C(=C1I)F)C MCULE-6575404848 [0,2,0,0,0,0|2,0,0]=4 2320 B9R1.37 CC1=NN(C(=C1I)I)C MCULE-2672231235 [0,2,0,0,0,0|2,0,0]=4 2321 B9R1.37 CC1=NN(C(=C1I)N)C MCULE-9788636924 [0,2,0,0,0,0|2,0,0]=4 2322 B9R1.37 CC1=NN(C(=C1N)C)C MCULE-3122375399 [0,2,0,0,0,0|2,0,0]=4 2323 B9R1.37 CC1=NN(C(=C1N)C)C MCULE-6760777294 [0,2,0,0,0,0|2,0,0]=4 2324 B9R1.37 CC1=NN(C(=C1N)N)C MCULE-8368203492 [0,2,0,0,0,0|2,0,0]=4 2325 B9R1.37 CC1=NN(C(=C1O)C)C MCULE-5380730147 [0,2,0,0,0,0|2,0,0]=4 2326 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-5385796348 [0,2,0,0,0,0|1,0,1]=4 2327 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-6531132040 [0,2,0,0,0,0|1,0,1]=4 2328 B9R1.37 CC1C(=O)NC(=O)N1C MCULE-8491807319 [0,2,0,0,0,0|2,0,0]=4 2329 B9R1.37 CC1C(=O)OC(=O)N1C MCULE-1864135953 [0,2,0,0,0,0|2,0,0]=4 2330 B9R1.37 CC1SC(=S)N(C1=O)N MCULE-9909170601 [0,2,0,0,0,0|2,0,0]=4 2331 B9R1.37 CN1C(=O)C=C(C1=O)Br MCULE-6711543006 [0,2,0,0,0,0|1,0,0]=3 2332 B9R1.37 CN1C(=O)C=C(C1=O)N MCULE-4181324260 [0,2,0,0,0,0|1,0,0]=3 2333 B9R1.37 CN1C(=O)NC(=O)C1=O MCULE-3910177119 [0,2,0,0,0,0|2,0,0]=4 2334 B9R1.37 CN1C(=O)NC(=O)C1O MCULE-7416083579 [0,2,0,0,0,0|2,0,0]=4 2335 B9R1.37 CN1CC(=O)N(C1=O)C MCULE-4679697256 [0,2,0,0,0,0|2,0,0]=4 2336 B9R1.37 CN1CC(=O)N(C1=O)N MCULE-1002182902 [0,2,0,0,0,0|2,0,0]=4 2337 B9R1.37 CN1N=C(C(=C1Br)Br)Br MCULE-2154765980 [0,2,0,0,0,0|2,0,0]=4 2338 B9R1.37 CN1N=C(C(=C1Cl)Cl)Cl MCULE-1422087374 [0,2,0,0,0,0|2,0,0]=4 2339 B9R1.37 CN1N=C(C(=C1F)Br)N MCULE-2609369642 [0,2,0,0,0,0|2,0,0]=4 2340 B9R1.37 CN1N=C(C(=C1F)Br)N MCULE-7443265190 [0,2,0,0,0,0|2,0,0]=4 2341 B9R1.37 CN1N=C(C(=C1F)Cl)N MCULE-1998856279 [0,2,0,0,0,0|2,0,0]=4 2342 B9R1.37 CN1N=C(C(=C1F)Cl)N MCULE-4797741397 [0,2,0,0,0,0|2,0,0]=4 2343 B9R1.37 CN1N=C(C(=C1F)I)N MCULE-6380606973 [0,2,0,0,0,0|2,0,0]=4 2344 B9R1.37 CN1N=C(C(=C1F)I)N MCULE-9687958178 [0,2,0,0,0,0|2,0,0]=4 2345 B9R1.37 CN1N=C(C(=C1I)I)I MCULE-9729451277 [0,2,0,0,0,0|2,0,0]=4 2346 B9R1.37 CN1N=C(C(=C1N)Br)Br MCULE-8338742854 [0,2,0,0,0,0|2,0,0]=4 2347 B9R1.37 CN1N=C(N(C1=O)C)Br MCULE-4102744224 [0,2,0,0,0,0|2,0,0]=4 2348 B9R1.37 CN1N=C(N(C1=O)C)N MCULE-3014568401 [0,2,0,0,0,0|2,0,0]=4 2349 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-4681877546 [0,2,0,0,0,0|2,0,0]=4 2350 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-6732719128 [0,2,0,0,0,0|2,0,0]=4 2351 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-7917103150 [0,2,0,0,0,0|2,0,0]=4 2352 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-9101652594 [0,2,0,0,0,0|2,0,0]=4 2353 B9R1.38 CC1(SC(=O)NC1=O)C MCULE-6487661721 [0,2,0,0,0,0|2,0,0]=4 2354 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,0,1,1,0,0|2,0,0]=4 2355 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,0,1,1,0,0|1,0,0]=3 2356 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,0,1,1,0,0|2,0,0]=4 2357 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,0,1,1,0,0|1,1,0]=4 2358 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [0,0,1,1,0,0|0,1,0]=3 2359 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [0,0,1,1,0,0|1,0,1]=4 2360 B7R1.18 CC(=O)N1C=CC1 MCULE-4207230175 [0,0,1,1,0,0|1,0,1]=4 2361 B9R2.3 C1=CC2=C(S1)CSC2 MCULE-3668913684 [0,1,0,1,0,0|1,1,0]=4 2362 B9R2.3 C1=NN2CCCC2=C1 MCULE-9797096326 [0,1,0,1,0,0|2,0,0]=4 2363 B9R2.3 C1=NN2CCNC2=C1 MCULE-9806834926 [0,1,0,1,0,0|2,0,0]=4 2364 B9R2.20 CC1=CC=[N+]2N1CC2 MCULE-1819818089 [0,1,0,1,0,0|2,0,0]=4 2365 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,0,1,0|0,0,2]=4 2366 B5R1.2 O=C1CSC1 MCULE-4436071261 [1,0,0,0,1,0|1,0,1]=4