0 B10R1.66 CC(=O)CCC1=CSC=C1 Z444869186 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 CC(=O)CCN1C=CC=N1 Z362119622 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 CC(=O)CCN1C=NC=N1 Z362119624 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.66 CC(=O)NCC1=CC=CO1 Z31407850 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 CC(=O)NCC1=CC=CS1 Z29693692 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.66 CC(=O)NCC1=CNC=N1 Z1267818517 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.66 CC(=O)NCC1=CNN=C1 Z383325512 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 CC(=O)NCC1=NOC=C1 Z1324812698 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.66 CC(O)CCN1C=CC=N1 Z854216836 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.66 N=C(N)CCN1C=NC=N1 Z969560750 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.66 NC(=O)CSC1=NC=NN1 Z220550582 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.66 NC(=O)NCC1=CC=CO1 Z56900771 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.66 NC(=O)NCC1=CC=CS1 Z108576590 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.66 NC(=O)NCC1=NC=CS1 Z736935680 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [0,0,0,0,0,0|1,0,3]=4 15 B10R1.66 O=C(O)/C=C/C1=CC=CO1 Z2311574202 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.66 O=C(O)/C=C/C1=CC=CS1 Z56855126 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.66 O=C(O)/C=C/C1=CN=CS1 Z1198166918 [0,0,0,0,0,0|1,0,3]=4 18 B10R1.66 O=C(O)/C=C/C1=CNC=C1 Z1203733427 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.66 O=C(O)/C=C/C1=CNC=N1 Z2942853595 [0,0,0,0,0,0|0,0,2]=2 20 B10R1.66 O=C(O)/C=C/C1=CNN=C1 Z2670716109 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.66 O=C(O)/C=C/C1=COC=N1 Z2633786305 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.66 O=C(O)/C=C/C1=CSC=C1 Z2417572197 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.66 O=C(O)/C=C/C1=CSC=N1 Z381407308 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.66 O=C(O)/C=C/C1=NC=CN1 Z2488957066 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.66 O=C(O)/C=C/C1=NC=CO1 Z2648955764 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.66 O=C(O)/C=C/C1=NC=CS1 Z381407314 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.66 O=C(O)/C=C/C1=NNC=C1 Z3037424296 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.66 O=C(O)CCC1=CC=NN1 Z3063833168 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.66 O=C(O)CCC1=CN=CO1 Z1255388483 [0,0,0,0,0,0|1,0,1]=2 31 B10R1.66 O=C(O)CCC1=CNC=N1 Z1770193418 [0,0,0,0,0,0|0,0,0]=0 32 B10R1.66 O=C(O)CCC1=CNN=C1 Z2251841401 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.66 O=C(O)CCC1=CNN=N1 Z2235677946 [0,0,0,0,0,0|1,0,0]=1 34 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.66 O=C(O)CCC1=CON=C1 Z1205656268 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.66 O=C(O)CCC1=CSC=N1 Z381407422 [0,0,0,0,0,0|1,0,0]=1 38 B10R1.66 O=C(O)CCC1=NC=CN1 Z1913661002 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.66 O=C(O)CCC1=NC=CS1 Z381407426 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.66 O=C(O)CCC1=NN=CN1 Z1350606441 [0,0,0,0,0,0|1,0,2]=3 41 B10R1.66 O=C(O)CCC1=NN=CS1 Z4302498044 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.66 O=C(O)CCC1=NNN=N1 Z1205656971 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.66 O=C(O)CCC1=NOC=C1 Z1198279853 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [0,0,0,0,0,0|1,0,3]=4 45 B10R1.66 O=C(O)CCN1C=CC=C1 Z245326706 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.66 O=C(O)CCN1C=CC=N1 Z220346786 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.66 O=C(O)CCN1C=CN=C1 Z53111117 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.66 O=C(O)CCN1C=NC=N1 Z220616946 [0,0,0,0,0,0|1,0,1]=2 49 B10R1.66 O=C(O)CCN1C=NN=N1 Z1198163093 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.66 O=C(O)CNC1=NC=CS1 Z316100440 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.66 O=C(O)COC1=CNN=C1 Z5592134655 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.66 O=C(O)COC1=CSC=C1 Z1262541445 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.66 O=C(O)COC1=NSC=C1 Z2787069249 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.66 O=C(O)CSC1=CNN=C1 Z5060816295 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.66 O=C(O)CSC1=CNN=N1 Z1763036445 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.66 O=C(O)CSC1=NC=CS1 Z295404488 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.66 O=C(O)CSC1=NN=CN1 Z55118850 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.66 O=C(O)CSC1=NN=CS1 Z55903773 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.66 O=[N+]([O-])CCC1=CSC=C1 Z1688405404 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.12 N#CCCC1=CNC=N1 Z1795818466 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.12 NCCCC1=CNC=N1 Z2574933947 [1,0,0,0,0,0|1,0,1]=3 62 B9R1.12 NCCCC1=CNN=N1 Z3379992373 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.12 O=CCCC1=CON=C1 Z2238235999 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.12 O=CCCC1=NNC=N1 Z3271398040 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.12 OCCCC1=CNC=N1 Z1142681983 [1,0,0,0,0,0|0,0,1]=2 67 B9R1.12 OCCCC1=CNN=C1 Z826006476 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.12 OCCCC1=COC=C1 Z1198265634 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.12 OCCCC1=CSC=C1 Z993012564 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.12 OCCCC1=CSC=N1 Z1270133079 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.12 OCCCC1=NC=CN1 Z2771661063 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.12 OCCCC1=NC=NN1 Z5356836398 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.12 OCCCN1C=CC=N1 Z425794826 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.25 C=CC(=O)NCC1=CSC=N1 Z1160800221 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.25 CNC(=O)CCC1=CC=CO1 Z242124434 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.25 CNC(=O)CCC1=CSC=C1 Z135505226 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.25 COC(=O)/C=C/C1=CNC=N1 Z3069884419 [0,1,0,0,0,0|0,0,2]=3 78 B11R1.25 COC(=O)CCC1=CNC=N1 Z1250100623 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.25 COC(=O)CCC1=CSC=C1 Z74523177 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.25 COC(=O)CCC1=NNN=N1 Z1862016313 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.35 C/C(=C\C1=CNC=N1)/C(=O)O Z3059076840 [0,1,0,0,0,0|0,0,2]=3 82 B11R1.35 CC(CC1=CC=CS1)C(=O)O Z756390536 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.35 CC(CN1C=CC=N1)C(=O)O Z421787104 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.35 CC(CN1C=CN=C1)C(=O)O Z1431781034 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.35 CC(SC1=NC=NN1)C(=O)O Z607822414 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.35 NC(CC1=CC=CO1)C(=O)O Z317025794 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.35 NC(CC1=CC=NO1)C(=O)O Z2429425584 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.35 NC(CC1=CN=CS1)C(=O)O Z2753010848 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.35 NC(CC1=CNC=N1)C(=O)O Z1259162152 [0,1,0,0,0,0|0,0,0]=1 91 B11R1.35 NC(CC1=COC=C1)C(=O)O Z3839442137 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.35 NC(CC1=COC=N1)C(=O)O Z3377962909 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.35 NC(CC1=CSC=C1)C(=O)O Z3251695259 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.35 NC(CC1=CSC=N1)C(=O)O Z3355847058 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.35 NC(CC1=NC=NS1)C(=O)O Z3753017084 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.35 NC(CC1=NNC=C1)C(=O)O Z2503042485 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.35 NC(CC1=NNC=N1)C(=O)O Z3479679094 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.35 NC(CC1=NSN=C1)C(=O)O Z3379430810 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.35 NC(CN1C=CC=N1)C(=O)O Z2933867195 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.35 NC(CN1C=CN=C1)C(=O)O Z2310727968 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.35 NC(CN1C=CN=N1)C(=O)O Z4271765232 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.35 NC(CN1C=NC=N1)C(=O)O Z1702888516 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O Z359369984 [0,1,0,0,0,0|0,0,0]=1 104 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O Z1079168982 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 Z271004562 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.35 O=C(O)C(O)CN1C=NC=N1 Z2865625689 [0,1,0,0,0,0|1,0,1]=3 107 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 Z3410265465 [0,1,0,0,0,0|0,0,0]=1 108 B11R1.75 CC(=O)CCC1=CC=C(S1)Cl Z406376898 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.75 CC1=CC(=NO1)CCC(=O)O Z1216839860 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.75 CC1=CC(=NO1)OCC(=O)O Z89264912 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.75 CC1=CC=C(O1)CCC(=O)O Z57248456 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.75 CC1=CC=C(S1)CCC(=O)O Z381359992 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.75 CC1=CN(N=C1)CCC(=O)O Z275127962 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.75 CC1=CNC(=N1)CCC(=O)O Z3181965688 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.75 CC1=CSC(=N1)CCC(=O)O Z1198306714 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.75 CC1=CSC(=N1)NCC(=O)O Z316100442 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.75 CC1=NC(=CS1)/C=C/C(=O)O Z221577240 [0,1,0,0,0,0|1,0,2]=4 118 B11R1.75 CC1=NC(=CS1)CCC(=O)O Z1184876049 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.75 CC1=NC(=NN1)SCC(=O)O Z1270207938 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.75 CC1=NC=C(O1)CCC(=O)O Z1255392347 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.75 CC1=NC=C(S1)CCC(=O)O Z1079166524 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.75 CC1=NN=C(O1)CCC(=O)O Z600611092 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.75 CC1=NNC(=C1)CCC(=O)O Z1251358529 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.75 CC1=NOC(=C1)CCC(=O)O Z1216842852 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.75 CC1=NOC(=N1)CCC(=O)O Z235340089 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.75 CN1C=C(C=N1)CCC(=O)O Z335291662 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.75 CN1C=C(C=N1)NCC(=O)O Z2146513181 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.75 CN1C=C(C=N1)OCC(=O)O Z2009851246 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.75 CN1C=C(N=N1)/C=C/C(=O)O Z1262517392 [0,1,0,0,0,0|1,0,2]=4 130 B11R1.75 CN1C=C(N=N1)CCC(=O)O Z1262517728 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.75 CN1C=CC(=C1)/C=C/C(=O)O Z2607872285 [0,1,0,0,0,0|1,0,2]=4 132 B11R1.75 CN1C=CC(=C1)CCC(=O)O Z1262521199 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.75 CN1C=NC(=C1)/C=C/C(=O)O Z2899547663 [0,1,0,0,0,0|0,0,2]=3 134 B11R1.75 CN1C=NC(=C1)CCC(=O)O Z3681634742 [0,1,0,0,0,0|0,0,0]=1 135 B11R1.75 CN1N=CC(=N1)CCC(=O)O Z2179938347 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.75 NC(=O)CCC1=CC=C(S1)Cl Z458893400 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.75 NC(=O)CCC1=CSC(=N1)N Z1461957692 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.75 NC(=O)CCN1C=C(C=N1)I Z1227759287 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.75 NC(=O)CCN1C=CC(=N1)N Z451325540 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.75 NC1=CN(N=C1)CCC(=O)O Z802829580 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.75 NC1=NC(=CS1)CCC(=O)O Z1147235463 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.75 NC1=NC(=NN1)CCC(=O)O Z803126284 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.75 NC1=NC=C(N1)CCC(=O)O Z3300728684 [0,1,0,0,0,0|0,0,2]=3 144 B11R1.75 NC1=NC=C(S1)CCC(=O)O Z1154248781 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.75 NC1=NN(C=N1)CCC(=O)O Z2106600570 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.75 NC1=NN=C(S1)CCC(=O)O Z274514086 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.75 O=C(O)CCC1=CC(=CS1)Br Z381359988 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl Z234898661 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl Z381359990 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.75 O=C(O)CCC1=CNC(=N1)S Z3235142381 [0,1,0,0,0,0|0,0,0]=1 151 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Z1262517531 [0,1,0,0,0,0|0,0,1]=2 152 B11R1.75 O=C(O)CCC1=NC(=O)NN1 Z1695669919 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.75 O=C(O)CCC1CNC(=O)N1 Z1262531245 [0,1,0,0,0,0|0,0,3]=4 154 B11R1.75 O=C(O)CCN1C=C(C=N1)Br Z608353718 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.75 O=C(O)CCN1C=C(C=N1)Cl Z625454300 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.75 O=C(O)CSC1=NC(=O)NN1 Z1725377461 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.77 CC(CC(=O)O)N1C=CC=C1 Z398989776 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.77 CC(CC(=O)O)N1C=CC=N1 Z431537238 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.77 CC(CC(=O)O)N1C=CN=C1 Z431537246 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.77 NC(CC(=O)O)C1=CC=CS1 Z221523588 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.77 NC(CC(=O)O)C1=CSC=C1 Z285185092 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.77 NC(CC(=O)O)C1=NC=CS1 Z1255465757 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.90 CC1=C(SC=N1)CCC(=O)O Z1198166208 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.90 CC1=NC=CN1CCC(=O)O Z1171978833 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.90 CN1C=CC=C1CCC(=O)O Z362827938 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.90 CN1C=CN=C1CCC(=O)O Z2939814866 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.90 CN1C=CN=C1SCC(=O)O Z55903471 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.90 CN1C=NC=C1CCC(=O)O Z1824511285 [0,1,0,0,0,0|0,0,2]=3 169 B11R1.90 CN1N=CC=C1CCC(=O)O Z1198171512 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.90 O=C(O)CCC1=C(C=CS1)Br Z854069976 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.90 O=C(O)CCC1=C(SC=C1)Br Z2236423623 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.90 O=C(O)CCC1=C(SC=C1)Cl Z2261978289 [0,1,0,0,0,0|2,0,0]=3 173 B11R2.11 O=C1CC(C1)C2=NC=CN2 Z3069417652 [0,0,0,1,0,0|3,0,0]=4 174 B11R2.11 O=C1CC(C1)N2C=CC=N2 Z1999515993 [0,0,0,1,0,0|3,0,0]=4 175 B11R2.392 O=S1(=O)CCC2=CNC=C12 Z1262614423 [0,0,0,1,0,0|2,0,1]=4 176 B9R1.13 CC(=O)NC1=CNC=N1 Z1203732139 [0,0,0,0,1,0|2,0,0]=3 177 B9R1.13 NC(=O)CC1=CC=CN1 Z1203579730 [0,0,0,0,1,0|2,0,1]=4 178 B9R1.13 NC(=O)CN1C=CC=N1 Z234897385 [0,0,0,0,1,0|3,0,0]=4 179 B9R1.13 O=C(O)CC1=CC=CO1 Z1179936226 [0,0,0,0,1,0|2,0,0]=3 180 B9R1.13 O=C(O)CC1=CC=CS1 Z104473344 [0,0,0,0,1,0|2,0,0]=3 181 B9R1.13 O=C(O)CC1=CC=NO1 Z1205495543 [0,0,0,0,1,0|2,0,1]=4 182 B9R1.13 O=C(O)CC1=CN=CN1 Z2738358143 [0,0,0,0,1,0|0,0,2]=3 183 B9R1.13 O=C(O)CC1=CN=CS1 Z1198176810 [0,0,0,0,1,0|1,0,1]=3 184 B9R1.13 O=C(O)CC1=CN=NS1 Z1205495547 [0,0,0,0,1,0|2,0,1]=4 185 B9R1.13 O=C(O)CC1=CNC=C1 Z1154253211 [0,0,0,0,1,0|1,0,0]=2 186 B9R1.13 O=C(O)CC1=CNN=C1 Z2692248932 [0,0,0,0,1,0|2,0,0]=3 187 B9R1.13 O=C(O)CC1=COC=C1 Z1179936188 [0,0,0,0,1,0|2,0,0]=3 188 B9R1.13 O=C(O)CC1=CON=C1 Z600429584 [0,0,0,0,1,0|2,0,1]=4 189 B9R1.13 O=C(O)CC1=CSC=C1 Z56922167 [0,0,0,0,1,0|2,0,0]=3 190 B9R1.13 O=C(O)CC1=CSC=N1 Z800222640 [0,0,0,0,1,0|1,0,0]=2 191 B9R1.13 O=C(O)CC1=CSN=N1 Z1205495044 [0,0,0,0,1,0|2,0,0]=3 192 B9R1.13 O=C(O)CC1=NC=CN1 Z2189284070 [0,0,0,0,1,0|2,0,0]=3 193 B9R1.13 O=C(O)CC1=NN=CN1 Z2372279646 [0,0,0,0,1,0|1,0,2]=4 194 B9R1.13 O=C(O)CC1=NN=NN1 Z168818410 [0,0,0,0,1,0|2,0,1]=4 195 B9R1.13 O=C(O)CC1=NOC=C1 Z1198279888 [0,0,0,0,1,0|2,0,0]=3 196 B9R1.13 O=C(O)CC1=NSC=C1 Z1198313566 [0,0,0,0,1,0|2,0,0]=3 197 B9R1.13 O=C(O)CN1C=CC=C1 Z245326698 [0,0,0,0,1,0|3,0,0]=4 198 B9R1.13 O=C(O)CN1C=CC=N1 Z166653130 [0,0,0,0,1,0|2,0,0]=3 199 B9R1.13 O=C(O)CN1C=CN=C1 Z57396183 [0,0,0,0,1,0|2,0,1]=4 200 B9R1.13 O=C(O)CN1C=CN=N1 Z1198163409 [0,0,0,0,1,0|3,0,0]=4 201 B9R1.13 O=C(O)CN1C=NC=N1 Z56931716 [0,0,0,0,1,0|1,0,1]=3 202 B9R1.13 O=C(O)CN1C=NN=N1 Z104485714 [0,0,0,0,1,0|2,0,1]=4 203 B9R1.13 O=C(O)CN1N=CC=N1 Z1198163410 [0,0,0,0,1,0|3,0,0]=4 204 B9R1.13 O=C(O)CN1N=CN=N1 Z1198153518 [0,0,0,0,1,0|2,0,1]=4 205 B9R1.13 O=C([O-])CC1=NC=CS1 Z2472857693 [0,0,0,0,1,0|2,0,1]=4 206 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [0,0,0,0,0,1|3,0,0]=4 207 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,0,0,0,0,1|3,0,0]=4 208 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [0,0,0,0,0,1|2,0,1]=4 209 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [0,0,0,0,0,1|3,0,0]=4 210 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [0,0,0,0,0,1|3,0,0]=4 211 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [0,0,0,0,0,1|3,0,0]=4 212 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [0,0,0,0,0,1|1,0,2]=4 213 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [0,0,0,0,0,1|1,0,2]=4 214 B11R1.91 O=C(O)/C=C/C1=NC=CN=C1 Z445220894 [0,0,0,0,0,1|0,0,3]=4 215 B11R1.91 O=C(O)/C=C/C1=NC=NC=C1 Z1184882069 [0,0,0,0,0,1|0,0,3]=4 216 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,0,0,0,0,1|2,0,0]=3 217 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [0,0,0,0,0,1|1,0,1]=3 218 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [0,0,0,0,0,1|1,0,0]=2 219 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [0,0,0,0,0,1|0,0,1]=2 220 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [0,0,0,0,0,1|1,0,0]=2 221 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [0,0,0,0,0,1|1,0,0]=2 222 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [0,0,0,0,0,1|0,0,1]=2 223 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [0,0,0,0,0,1|0,0,1]=2 224 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,0,0,0,0,1|3,0,0]=4 225 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [0,0,0,0,0,1|2,0,1]=4 226 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [0,0,0,0,0,1|2,0,0]=3 227 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [0,0,0,0,0,1|2,0,0]=3 228 B11R1.91 O=C(O)CNC1=NC=CC=N1 Z228588498 [0,0,0,0,0,1|2,0,0]=3 229 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,0,0,0,0,1|3,0,0]=4 230 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [0,0,0,0,0,1|2,0,0]=3 231 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,0,0,0,0,1|3,0,0]=4 232 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [0,0,0,0,0,1|2,0,1]=4 233 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [0,0,0,0,0,1|2,0,0]=3 234 B11R1.91 O=C(O)CSC1=NC=CC=N1 Z31205664 [0,0,0,0,0,1|2,0,0]=3 235 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [0,0,0,0,0,1|2,0,1]=4 236 B11R1.172 CC(=O)NCCC1=CC=CS1 Z29191379 [0,0,0,0,0,1|3,0,0]=4 237 B11R1.172 CC(=O)NCCC1=CNN=C1 Z2178324934 [0,0,0,0,0,1|3,0,0]=4 238 B11R1.172 CC(=O)NCCC1=CSC=N1 Z1171564162 [0,0,0,0,0,1|2,0,0]=3 239 B11R1.172 CC(=O)NCCC1=NC=CN1 Z1171622390 [0,0,0,0,0,1|3,0,0]=4 240 B11R1.172 NC(=O)CSCC1=CN=CS1 Z2589333503 [0,0,0,0,0,1|2,0,1]=4 241 B11R1.172 NC(=O)NCCC1=CC=CS1 Z90123296 [0,0,0,0,0,1|3,0,0]=4 242 B11R1.172 O=C(O)CCCC1=CC=CS1 Z56951195 [0,0,0,0,0,1|2,0,0]=3 243 B11R1.172 O=C(O)CCCC1=CNN=N1 Z1262553644 [0,0,0,0,0,1|1,0,0]=2 244 B11R1.172 O=C(O)CCCC1=NC=CO1 Z1262554930 [0,0,0,0,0,1|2,0,0]=3 245 B11R1.172 O=C(O)CCCN1C=CC=C1 Z245326710 [0,0,0,0,0,1|3,0,0]=4 246 B11R1.172 O=C(O)CCCN1C=CC=N1 Z285049638 [0,0,0,0,0,1|2,0,0]=3 247 B11R1.172 O=C(O)CCCN1C=CN=C1 Z285049642 [0,0,0,0,0,1|2,0,1]=4 248 B11R1.172 O=C(O)CCCN1C=NC=N1 Z285049640 [0,0,0,0,0,1|1,0,1]=3 249 B11R1.172 O=C(O)CCNC1=NC=CS1 Z295404866 [0,0,0,0,0,1|2,0,0]=3 250 B11R1.172 O=C(O)COCC1=NNC=N1 Z805529564 [0,0,0,0,0,1|1,0,0]=2 251 B11R1.172 O=C(O)CSCC1=CC=CS1 Z57983103 [0,0,0,0,0,1|2,0,0]=3 252 B11R1.172 O=C(O)CSCC1=CSC=C1 Z107334134 [0,0,0,0,0,1|2,0,0]=3 253 B11R1.172 O=C(O)CSCC1=CSC=N1 Z149152078 [0,0,0,0,0,1|1,0,0]=2 254 B11R1.172 O=C(O)CSCC1=NC=CN1 Z1162907897 [0,0,0,0,0,1|2,0,0]=3 255 B11R1.172 O=C(O)CSCC1=NN=NN1 Z2174704055 [0,0,0,0,0,1|2,0,1]=4 256 B11R1.172 O=C([O-])CCCC1=NC=CS1 Z2010010280 [0,0,0,0,0,1|2,0,1]=4 257 B11R1.172 O=C([O-])COCC1=CC=CO1 Z818727290 [0,0,0,0,0,1|2,0,1]=4 258 B8R0.7 C=CCNCCC(=O)O Z3388124649 [1,0,1,0,0,0|2,0,0]=4 259 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,0,1,0,0,0|0,0,2]=4 260 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [1,0,1,0,0,0|1,0,1]=4 261 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [1,0,1,0,0,0|1,0,1]=4 262 B8R1.8 CCCC1=NNC=N1 Z803077816 [2,0,0,0,0,0|1,0,1]=4 263 B8R1.8 COCC1=CNC=N1 Z1203733599 [2,0,0,0,0,0|1,0,1]=4 264 B8R1.8 NCCC1=CNC=N1 Z1267773750 [2,0,0,0,0,0|1,0,0]=3 265 B8R1.8 NCCC1=CNN=N1 Z3005762594 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.8 O=CCC1=CC=CO1 Z1179944709 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.8 O=CCC1=CC=CS1 Z993017816 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.8 O=CCC1=CSC=C1 Z1079442684 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.8 OCCC1=CC=CO1 Z1179944660 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.8 OCCC1=CC=CS1 Z397587354 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.8 OCCC1=CN=CS1 Z1198334159 [2,0,0,0,0,0|1,0,1]=4 272 B8R1.8 OCCC1=CNN=C1 Z1333876037 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.8 OCCC1=CNN=N1 Z982120080 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.8 OCCC1=COC=C1 Z1179944659 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.8 OCCC1=CSC=C1 Z397587098 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.8 OCCC1=CSC=N1 Z1263714384 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.8 OCCN1C=CC=N1 Z425794824 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.8 OCCN1C=NC=N1 Z234898253 [2,0,0,0,0,0|1,0,1]=4 279 B10R1.16 CN1C=C(C=N1)CCC=O Z993017784 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.16 CN1C=NC(=C1)CCCN Z4510431269 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.27 N[C@H](CO)CC1=CNC=N1 Z2697164739 [1,1,0,0,0,0|0,0,1]=3 282 B10R1.23 CC(C(=O)O)C1=CC=CO1 Z792377294 [0,1,0,0,1,0|2,0,0]=4 283 B10R1.23 CC(C(=O)O)C1=CSC=C1 Z954552432 [0,1,0,0,1,0|2,0,0]=4 284 B10R1.23 CC(C(=O)O)N1C=CC=N1 Z406680018 [0,1,0,0,1,0|2,0,0]=4 285 B10R1.23 NC(C(=O)O)C1=CC=CS1 Z803154920 [0,1,0,0,1,0|2,0,0]=4 286 B10R1.23 NC(C(=O)O)C1=CSC=C1 Z1696871277 [0,1,0,0,1,0|2,0,0]=4 287 B10R1.23 NC(C(=O)O)C1=CSC=N1 Z3699161008 [0,1,0,0,1,0|1,0,0]=3 288 B10R1.23 O=C(O)C(F)N1C=CC=N1 Z1438068862 [0,1,0,0,1,0|2,0,0]=4 289 B10R1.23 O=C(O)C(O)C1=CNC=N1 Z2301534488 [0,1,0,0,1,0|0,0,0]=2 290 B10R1.23 O=C(O)C(O)C1=CSC=C1 Z788000616 [0,1,0,0,1,0|2,0,0]=4 291 B10R1.54 CC1=CC(=NO1)CC(=O)O Z1194052187 [0,1,0,0,1,0|2,0,0]=4 292 B10R1.54 CC1=CC=C(O1)CC(=O)O Z978942572 [0,1,0,0,1,0|2,0,0]=4 293 B10R1.54 CC1=CC=C(S1)CC(=O)O Z362118824 [0,1,0,0,1,0|2,0,0]=4 294 B10R1.54 CC1=CN(N=C1)CC(=O)O Z600430806 [0,1,0,0,1,0|2,0,0]=4 295 B10R1.54 CC1=CNC(=N1)CC(=O)O Z5208005916 [0,1,0,0,1,0|2,0,0]=4 296 B10R1.54 CC1=CSC(=C1)CC(=O)O Z1255506269 [0,1,0,0,1,0|2,0,0]=4 297 B10R1.54 CC1=NC(=CN1)CC(=O)O Z3492410978 [0,1,0,0,1,0|0,0,0]=2 298 B10R1.54 CC1=NC(=CO1)CC(=O)O Z1198274800 [0,1,0,0,1,0|1,0,0]=3 299 B10R1.54 CC1=NC(=CS1)CC(=O)O Z56946867 [0,1,0,0,1,0|1,0,0]=3 300 B10R1.54 CC1=NC(=NN1)CC(=O)O Z803126526 [0,1,0,0,1,0|1,0,0]=3 301 B10R1.54 CC1=NC=C(O1)CC(=O)O Z1416193674 [0,1,0,0,1,0|1,0,1]=4 302 B10R1.54 CC1=NC=C(S1)CC(=O)O Z275210998 [0,1,0,0,1,0|1,0,1]=4 303 B10R1.54 CC1=NN(C=C1)CC(=O)O Z2234185636 [0,1,0,0,1,0|2,0,0]=4 304 B10R1.54 CN1C=C(C=N1)CC(=O)O Z382816606 [0,1,0,0,1,0|2,0,0]=4 305 B10R1.54 CN1C=C(N=N1)CC(=O)O Z2961828459 [0,1,0,0,1,0|1,0,0]=3 306 B10R1.54 CN1C=C[N+](=C1)CC(=O)O Z1255365415 [0,1,0,0,1,0|2,0,0]=4 307 B10R1.54 NC(=O)CC1=CSC(=N1)N Z135264310 [0,1,0,0,1,0|2,0,0]=4 308 B10R1.54 NC1=CN(N=C1)CC(=O)O Z801633548 [0,1,0,0,1,0|2,0,0]=4 309 B10R1.54 NC1=NC(=CS1)CC(=O)O Z2692095061 [0,1,0,0,1,0|1,0,0]=3 310 B10R1.54 NC1=NN(C=N1)CC(=O)O Z2350909286 [0,1,0,0,1,0|1,0,1]=4 311 B10R1.54 O=C(O)CC1=CC=C(S1)Cl Z285575844 [0,1,0,0,1,0|2,0,0]=4 312 B10R1.54 O=C(O)CC1=CSC(=N1)S Z1198174162 [0,1,0,0,1,0|1,0,0]=3 313 B10R1.54 O=C(O)CC1=NNC(=O)C1 Z381006232 [0,1,0,0,1,0|2,0,0]=4 314 B10R1.54 O=C(O)CN1C=C(C=N1)Br Z558496828 [0,1,0,0,1,0|2,0,0]=4 315 B10R1.54 O=C(O)CN1C=C(C=N1)Cl Z729827274 [0,1,0,0,1,0|2,0,0]=4 316 B10R1.54 O=C(O)CN1C=C(C=N1)I Z1227758254 [0,1,0,0,1,0|2,0,0]=4 317 B10R1.54 O=C(O)CN1C=NC(=N1)Br Z2044796809 [0,1,0,0,1,0|1,0,1]=4 318 B10R1.64 CC1=C(N=CN1)CC(=O)O Z1945696029 [0,1,0,0,1,0|0,0,0]=2 319 B10R1.64 CC1=C(N=CO1)CC(=O)O Z2732451980 [0,1,0,0,1,0|1,0,0]=3 320 B10R1.64 CC1=C(SC=C1)CC(=O)O Z978942584 [0,1,0,0,1,0|2,0,0]=4 321 B10R1.64 CC1=CON=C1CC(=O)O Z1889709884 [0,1,0,0,1,0|2,0,0]=4 322 B10R1.64 CC1=NNC=C1CC(=O)O Z1198264426 [0,1,0,0,1,0|2,0,0]=4 323 B10R1.64 CC1=NON=C1CC(=O)O Z1188432697 [0,1,0,0,1,0|1,0,1]=4 324 B10R1.64 CN1C=CN=C1CC(=O)O Z2293606708 [0,1,0,0,1,0|2,0,0]=4 325 B10R1.64 CN1C=NC=C1CC(=O)O Z1741785912 [0,1,0,0,1,0|0,0,2]=4 326 B10R1.64 NC1=CC=NN1CC(=O)O Z2893890229 [0,1,0,0,1,0|2,0,0]=4 327 B10R1.64 NC1=NC=NN1CC(=O)O Z2310673020 [0,1,0,0,1,0|1,0,1]=4 328 B10R1.64 O=C(O)CC1=C(C=CS1)Br Z854068742 [0,1,0,0,1,0|2,0,0]=4 329 B10R1.64 O=C(O)CC1=C(SC=C1)Br Z1416196048 [0,1,0,0,1,0|2,0,0]=4 330 B10R1.64 O=C(O)CC1=CNNC1=O Z1198173451 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.64 O=C(O)CC1=CSC=C1F Z2311011512 [0,1,0,0,1,0|2,0,0]=4 332 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [0,1,0,0,0,1|2,0,0]=4 333 B12R1.21 CC1=NC=C(C=C1)CCC(=O)O Z2310699273 [0,1,0,0,0,1|1,0,0]=3 334 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [0,1,0,0,0,1|2,0,0]=4 335 B12R1.21 NC1=NC=C(C=C1)CCC(=O)O Z1255384430 [0,1,0,0,0,1|1,0,0]=3 336 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [0,1,0,0,0,1|2,0,0]=4 337 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [0,1,0,0,0,1|2,0,0]=4 338 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [0,1,0,0,0,1|2,0,0]=4 339 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,1,0,0,0,1|2,0,0]=4 340 B12R1.21 O=C(O)CCC1=CN=C(C=C1)Cl Z1695923041 [0,1,0,0,0,1|1,0,0]=3 341 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Z1889997460 [0,1,0,0,0,1|1,0,0]=3 342 B12R1.21 O=C(O)CCC1=NC=C(C=C1)Br Z1269216724 [0,1,0,0,0,1|1,0,0]=3 343 B12R1.21 O=C(O)CCC1=NC=C(C=N1)F Z1347205920 [0,1,0,0,0,1|1,0,0]=3 344 B12R1.21 O=C(O)COC1=NC=C(C=C1)Br Z1269227587 [0,1,0,0,0,1|2,0,0]=4 345 B12R1.21 O=C(O)COC1=NC=C(C=C1)F Z1723875084 [0,1,0,0,0,1|2,0,0]=4 346 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,1,0,0,0,1|2,0,0]=4 347 B12R1.27 COC(=O)CCC1=CC=NC=C1 Z1198171999 [0,1,0,0,0,1|1,0,1]=4 348 B12R1.27 COC(=O)CCC1=CN=CC=C1 Z1069406844 [0,1,0,0,0,1|1,0,0]=3 349 B12R1.27 COC(=O)CCC1=CN=CN=C1 Z1551943962 [0,1,0,0,0,1|0,0,1]=3 350 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,1,0,0,0,1|2,0,0]=4 351 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,1,0,0,0,1|1,0,1]=4 352 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [0,1,0,0,0,1|2,0,0]=4 353 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [0,1,0,0,0,1|2,0,0]=4 354 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [0,1,0,0,0,1|2,0,0]=4 355 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O Z31250552 [0,1,0,0,0,1|2,0,0]=4 356 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,1,0,0,0,1|2,0,0]=4 357 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,1,0,0,0,1|2,0,0]=4 358 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,1,0,0,0,1|2,0,0]=4 359 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,1,0,0,0,1|1,0,1]=4 360 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,1,0,0,0,1|1,0,0]=3 361 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [0,1,0,0,0,1|0,0,1]=3 362 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,1,0,0,0,1|1,0,0]=3 363 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [0,1,0,0,0,1|1,0,0]=3 364 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [0,1,0,0,0,1|0,0,1]=3 365 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,1,0,0,0,1|2,0,0]=4 366 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,1,0,0,0,1|2,0,0]=4 367 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,1,0,0,0,1|2,0,0]=4 368 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [0,1,0,0,0,1|1,0,0]=3 369 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,1,0,0,0,1|2,0,0]=4 370 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,1,0,0,0,1|2,0,0]=4 371 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,1,0,0,0,1|2,0,0]=4 372 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Z352782496 [0,1,0,0,0,1|1,0,1]=4 373 B12R1.107 CN(CC(=O)O)C1=NC=CC=N1 Z275027154 [0,1,0,0,0,1|2,0,0]=4 374 B12R1.107 CN(CC(=O)O)C1=NC=CN=C1 Z275027150 [0,1,0,0,0,1|1,0,1]=4 375 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [0,1,0,0,0,1|2,0,0]=4 376 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 Z317027344 [0,1,0,0,0,1|1,0,1]=4 377 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [0,1,0,0,0,1|2,0,0]=4 378 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [0,1,0,0,0,1|2,0,0]=4 379 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [0,1,0,0,0,1|2,0,0]=4 380 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [0,1,0,0,0,1|2,0,0]=4 381 B12R1.125 CC1=C(C=CC=N1)CCC(=O)O Z3213741164 [0,1,0,0,0,1|1,0,0]=3 382 B12R1.125 CC1=C(N=CC=C1)CCC(=O)O Z1198279885 [0,1,0,0,0,1|1,0,0]=3 383 B12R1.125 O=C(O)/C=C/C1=CN=CNC1=O Z2633967605 [0,1,0,0,0,1|0,0,2]=4 384 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [0,1,0,0,0,1|2,0,0]=4 385 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [0,1,0,0,0,1|2,0,0]=4 386 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [0,1,0,0,0,1|2,0,0]=4 387 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [0,1,0,0,0,1|2,0,0]=4 388 B12R1.125 O=C(O)CCN1C=CC=NC1=O Z432066996 [0,1,0,0,0,1|2,0,0]=4 389 B12R1.125 O=C(O)CCN1C=NC=CC1=O Z1154745726 [0,1,0,0,0,1|2,0,0]=4 390 B12R1.125 O=C(O)CCN1N=CC=CC1=O Z1021422926 [0,1,0,0,0,1|2,0,0]=4 391 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [0,1,0,0,0,1|2,0,0]=4 392 B12R1.226 CC1=NC(=NC=C1)SCC(=O)O Z55903468 [0,1,0,0,0,1|2,0,0]=4 393 B12R1.226 CC1=NC=NC(=C1)NCC(=O)O Z314662014 [0,1,0,0,0,1|1,0,1]=4 394 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [0,1,0,0,0,1|2,0,0]=4 395 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [0,1,0,0,0,1|2,0,0]=4 396 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [0,1,0,0,0,1|2,0,0]=4 397 B12R1.226 O=C(O)CCC1=CC(=CN=C1)F Z1262517660 [0,1,0,0,0,1|1,0,0]=3 398 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [0,1,0,0,0,1|1,0,0]=3 399 B12R1.226 O=C(O)COC1=CC(=CN=C1)Br Z1206892989 [0,1,0,0,0,1|2,0,0]=4 400 B12R1.226 O=C(O)COC1=NC(=CN=C1)Cl Z1262560152 [0,1,0,0,0,1|1,0,1]=4 401 B12R1.54 O=C(O)CCC(=O)C1=CC=CN1 Z1262513633 [0,1,0,0,0,1|1,0,1]=4 402 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 Z56857914 [0,1,0,0,0,1|2,0,0]=4 403 B12R1.54 O=C(O)CNC(=O)C1=CSC=N1 Z1079452368 [0,1,0,0,0,1|1,0,1]=4 404 B12R1.105 CC1=CC(=NO1)COCC(=O)O Z1198234717 [0,1,0,0,0,1|2,0,0]=4 405 B12R1.105 CC1=CC(=NO1)CSCC(=O)O Z89669792 [0,1,0,0,0,1|2,0,0]=4 406 B12R1.105 CC1=CC=C(S1)CCCC(=O)O Z336285944 [0,1,0,0,0,1|2,0,0]=4 407 B12R1.105 CC1=CN(N=C1)CCCC(=O)O Z4878607110 [0,1,0,0,0,1|2,0,0]=4 408 B12R1.105 CC1=CN=C(O1)CCCC(=O)O Z1416179608 [0,1,0,0,0,1|2,0,0]=4 409 B12R1.105 CC1=NC(=CO1)CSCC(=O)N Z2589333350 [0,1,0,0,0,1|2,0,0]=4 410 B12R1.105 CC1=NC(=CS1)CCCC(=O)O Z1342859238 [0,1,0,0,0,1|1,0,0]=3 411 B12R1.105 CC1=NC(=CS1)COCC(=O)O Z3024198885 [0,1,0,0,0,1|1,0,0]=3 412 B12R1.105 CC1=NC(=CS1)CSCC(=O)O Z119974122 [0,1,0,0,0,1|1,0,0]=3 413 B12R1.105 CC1=NC(=NO1)CSCC(=O)O Z228589144 [0,1,0,0,0,1|2,0,0]=4 414 B12R1.105 CC1=NC=C(S1)COCC(=O)O Z3023573147 [0,1,0,0,0,1|1,0,1]=4 415 B12R1.105 CC1=NOC(=N1)CCCC(=O)O Z367679728 [0,1,0,0,0,1|1,0,1]=4 416 B12R1.105 CC1=NOC(=N1)COCC(=O)O Z802818642 [0,1,0,0,0,1|1,0,1]=4 417 B12R1.105 NC1=NC(=CS1)CCCC(=O)O Z1262529862 [0,1,0,0,0,1|1,0,0]=3 418 B12R1.105 NC1=NC(=CS1)CSCC(=O)O Z385405012 [0,1,0,0,0,1|1,0,0]=3 419 B12R1.105 O=C(O)CCCN1C=C(C=N1)Br Z729840314 [0,1,0,0,0,1|2,0,0]=4 420 B12R1.105 O=C(O)CNCC1=CC=C(O1)Cl Z424739068 [0,1,0,0,0,1|2,0,0]=4 421 B12R1.105 O=C(O)CNCC1=CC=C(S1)Cl Z1346385334 [0,1,0,0,0,1|2,0,0]=4 422 B12R1.105 O=C(O)CSCC1=CC=C(S1)Cl Z19691259 [0,1,0,0,0,1|2,0,0]=4 423 B12R1.130 CC1=C(SC=C1)CCCC(=O)O Z837065188 [0,1,0,0,0,1|2,0,0]=4 424 B12R1.130 CC1=C(SC=C1)CNCC(=O)O Z381025964 [0,1,0,0,0,1|2,0,0]=4 425 B12R1.130 CC1=C(SC=N1)COCC(=O)O Z1255438393 [0,1,0,0,0,1|1,0,1]=4 426 B12R1.130 CN1C=CN=C1COCC(=O)O Z1198184175 [0,1,0,0,0,1|2,0,0]=4 427 B12R1.130 CN1C=CN=C1SCCC(=O)O Z102921792 [0,1,0,0,0,1|2,0,0]=4 428 B12R1.130 CN1N=CN=C1COCC(=O)O Z995120004 [0,1,0,0,0,1|1,0,1]=4 429 B12R1.264 CC(OCC1=CN=CS1)C(=O)O Z1714302130 [0,1,0,0,0,1|1,0,1]=4 430 B12R1.264 NC(CCC1=CNN=C1)C(=O)O Z3486116939 [0,1,0,0,0,1|2,0,0]=4 431 B12R1.477 C=CC(=O)NCCC1=CSC=N1 Z1160800259 [0,1,0,0,0,1|2,0,0]=4 432 B12R1.477 CNC(=S)NCCC1=CNC=N1 Z1262566145 [0,1,0,0,0,1|1,1,0]=4 433 B12R1.477 COC(=O)CCCC1=CC=CS1 Z18056150 [0,1,0,0,0,1|2,0,0]=4 434 B12R1.477 COC(=O)NCCC1=CN=CN1 Z3231905935 [0,1,0,0,0,1|0,0,2]=4 435 B12R1.477 O=C(NO)NCCC1=CC=CS1 Z335452622 [0,1,0,0,0,1|2,0,0]=4 436 B12R1.15 COC(=O)CC(N)C1=CC=CS1 Z235354633 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.15 COC(=O)CC(N)C1=CN=CS1 Z5538041225 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.26 COC(=O)CCC1=CN=C(O1)C Z2732502809 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.26 COC(=O)CCC1=CNC(=N1)N Z5531273925 [0,2,0,0,0,0|0,0,0]=2 440 B12R1.26 COC(=O)CCC1=CSC(=N1)N Z1157651584 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.26 COC(=O)CCN1C=C(C=N1)Br Z729840286 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.51 CCOC(=O)CCC1=NC=NN1 Z3490193898 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.108 COC(=O)C(N)CC1=CNN=C1 Z3376022026 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.108 COC(=O)C(N)CC1=COC=C1 Z3991663285 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.108 COC(=O)C(N)CC1=CSC=C1 Z3397220489 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.108 COC(=O)C(N)CN1C=CC=N1 Z2904982884 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.108 COC(=O)C(N)CN1C=NC=N1 Z2935011061 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.104 CC(=O)N(C)CC1=CN(C=N1)C Z3489757405 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.104 CC(CC1=CN(N=C1)C)C(=O)O Z959330822 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.104 CC1=CN(N=C1)CC(N)C(=O)O Z1737940744 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.104 CC1=NN(C=C1)CC(C)C(=O)O Z1198160947 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.104 CN1C=C(C=N1)CC(N)C(=O)O Z1259335776 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.104 CN1C=C(N=N1)CC(N)C(=O)O Z3877612552 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.104 CN1C=NC(=C1)CC(O)C(=O)O Z3270199333 [0,2,0,0,0,0|0,0,0]=2 455 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O Z3005524545 [0,2,0,0,0,0|0,0,0]=2 456 B12R1.104 CN1N=NC(=N1)CC(N)C(=O)O Z3832019209 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.104 NC(CC1=CSC(=C1)Cl)C(=O)O Z3464487109 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.104 NC(CN1C=C(C=N1)Br)C(=O)O Z1762658278 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.104 NC(CN1C=C(C=N1)Cl)C(=O)O Z1649677786 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.104 NC1=NC(=CS1)CC(N)C(=O)O Z3482741151 [0,2,0,0,0,0|1,0,0]=3 461 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O Z1198148773 [0,2,0,0,0,0|0,0,0]=2 462 B12R1.104 N[C@H](CC1=CNC(=N1)S)C(=O)O Z1198234492 [0,2,0,0,0,0|0,0,0]=2 463 B12R1.145 CC1=C(NC=N1)CC(O)C(=O)O Z4137163794 [0,2,0,0,0,0|0,0,2]=4 464 B12R1.145 CC1=NON=C1CC(N)C(=O)O Z823287428 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.145 CN1N=CN=C1CC(N)C(=O)O Z3824528863 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.145 NC(CC1=C(SC=C1)Cl)C(=O)O Z3337480266 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.1373 CC(N)(CN1C=CC=N1)C(=O)O Z2937689910 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.1373 CC(N)(CN1C=NC=N1)C(=O)O Z1683068100 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.59 O=CC1=CC=C(O1)CCC(=O)O Z3005718637 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.59 O=CC1=NN(C=C1)CCC(=O)O Z3003535512 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.103 CC(CC(=O)O)C1=CN(N=C1)C Z1434181535 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.103 CC1=CC=C(O1)C(N)CC(=O)O Z317027374 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.103 CC1=CC=C(O1)[C@@H](N)CC(=O)O Z1270400005 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.103 CC1=NN(C=C1)C(C)CC(=O)O Z1201627632 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.103 NC(CC(=O)O)C1=CC(=CS1)Cl Z1269154374 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.103 N[C@H](CC(=O)O)C1=CC=C(S1)Cl Z1696091894 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.110 CC1=C(NC(=N1)CCC(=O)O)C Z3205646933 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.110 CC1=NN(C=C1Br)CCC(=O)O Z4500620052 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.110 O=C(O)CCC1=CC(=C(S1)Br)Br Z1801428576 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.861 CC1=CC(=C(S1)C)CCC(=O)O Z825743166 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.861 CC1=CC(=NN1CCC(=O)O)C Z220436280 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.861 CC1=NN(C=C1CCC(=O)O)C Z316174674 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.861 O=C(O)CCC1NC(=O)NC1=O Z56347438 [0,2,0,0,0,0|0,0,2]=4 484 B12R1.870 CC1=C(C=NN1C)CCC(=O)O Z1198165071 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.870 CN1C=NN(C1=O)CCC(=O)O Z1526670531 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.144 NC(CC(=O)O)C1=CSC=C1Br Z3846783255 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.259 CC(C)(CC(=O)O)C1=CC=CS1 Z336081084 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.895 CC1=NNC(=C1CCC(=O)O)C Z57985394 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [0,0,1,1,0,0|1,0,1]=4 490 B10R1.18 O=C(O)CC1=CN=CN=C1 Z1889902548 [0,0,1,1,0,0|0,0,2]=4 491 B10R2.5 N[C@@H]1C[C@H]1C2=CNC=N2 Z2798782647 [1,0,0,1,0,0|1,0,1]=4 492 B10R2.7 C1=NC2=C(N1)CCCC2 Z1198155272 [1,0,0,1,0,0|1,0,1]=4 493 B10R2.32 O=C1CCC2=C1C=CS2 Z57085550 [1,0,0,1,0,0|2,0,0]=4 494 B10R2.32 O=C1CCC2=CNC=C12 Z1198165845 [1,0,0,1,0,0|1,0,0]=3 495 B12R2.24 O=C1CCC2=C(O1)C=CC=C2 Z586249466 [0,0,0,1,0,1|2,0,0]=4 496 B12R2.1354 O=C(O)C1CC1C2=CC=CO2 Z359510162 [0,0,0,1,0,1|2,0,0]=4 497 B12R2.1354 O=C(O)[C@@H]1C[C@@H]1C2=NNC=N2 Z3069842878 [0,0,0,1,0,1|1,0,0]=3 498 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CC=CO2 Z2242045434 [0,0,0,1,0,1|2,0,0]=4 499 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CNC=N2 Z2573343613 [0,0,0,1,0,1|0,0,0]=2 500 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CSC=C2 Z2683332742 [0,0,0,1,0,1|2,0,0]=4 501 B12R2.1362 O=C(O)C1CCC2=C1NN=C2 Z2967335714 [0,0,0,1,0,1|2,0,0]=4 502 B12R2.1362 O=C(O)C1CCC2=NC=CN12 Z1416171280 [0,0,0,1,0,1|2,0,0]=4 503 B12R2.1362 O=C(O)C1NCC2=NNC=C12 Z3023573124 [0,0,0,1,0,1|2,0,0]=4 504 B12R2.252 O=C(O)C1CC2=C(S1)SN=N2 Z5177585233 [0,1,0,1,0,0|2,0,0]=4 505 B12R2.252 O=C(O)C1CC2=CSC=C2C1 Z1262517243 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.252 O=C(O)C1CC2=NC=CN2C1 Z2692249218 [0,1,0,1,0,0|2,0,0]=4 507 B12R2.76 NC1=NC(=CS1)C2CC(=O)C2 Z4523637398 [0,1,0,1,0,0|2,0,0]=4 508 B12R2.606 O=C1CCC2=C(C1)SC(=N2)Cl Z1198176536 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.7 CC(=O)C1=CNC=C1 Z1154253452 [0,0,0,0,2,0|2,0,0]=4 510 B8R1.7 CC(=O)C1=CNC=N1 Z1198183596 [0,0,0,0,2,0|1,0,0]=3 511 B8R1.7 CC(=O)C1=CNN=N1 Z4098008860 [0,0,0,0,2,0|2,0,0]=4 512 B8R1.7 CC(=O)C1=COC=N1 Z1255437997 [0,0,0,0,2,0|2,0,0]=4 513 B8R1.7 CC(=O)C1=CSC=N1 Z1198162939 [0,0,0,0,2,0|2,0,0]=4 514 B8R1.7 CC(=O)C1=NNC=N1 Z1216858052 [0,0,0,0,2,0|2,0,0]=4 515 B8R1.7 CC(O)C1=CNC=N1 Z1198180340 [0,0,0,0,2,0|1,0,1]=4 516 B8R1.7 NC(=O)C1=CNC=C1 Z1167406084 [0,0,0,0,2,0|2,0,0]=4 517 B8R1.7 NC(=O)C1=CNC=N1 Z1147451838 [0,0,0,0,2,0|1,0,0]=3 518 B8R1.7 NC(=O)C1=CNN=N1 Z803943044 [0,0,0,0,2,0|2,0,0]=4 519 B8R1.7 NC(=O)C1=COC=N1 Z1127744342 [0,0,0,0,2,0|2,0,0]=4 520 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [0,0,0,0,2,0|1,0,1]=4 521 B8R1.7 O=C(O)C1=CC=CO1 Z104473462 [0,0,0,0,2,0|2,0,0]=4 522 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [0,0,0,0,2,0|0,0,2]=4 523 B8R1.7 O=C(O)C1=CN=CO1 Z204020264 [0,0,0,0,2,0|1,0,1]=4 524 B8R1.7 O=C(O)C1=CN=CS1 Z204146918 [0,0,0,0,2,0|1,0,1]=4 525 B8R1.7 O=C(O)C1=CNC=C1 Z1154253207 [0,0,0,0,2,0|1,0,0]=3 526 B8R1.7 O=C(O)C1=CNN=C1 Z275128380 [0,0,0,0,2,0|2,0,0]=4 527 B8R1.7 O=C(O)C1=CNN=N1 Z1814381620 [0,0,0,0,2,0|1,0,0]=3 528 B8R1.7 O=C(O)C1=COC=C1 Z164706016 [0,0,0,0,2,0|2,0,0]=4 529 B8R1.7 O=C(O)C1=COC=N1 Z1095349994 [0,0,0,0,2,0|1,0,0]=3 530 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [0,0,0,0,2,0|2,0,0]=4 531 B8R1.7 O=C(O)C1=CSC=N1 Z800222638 [0,0,0,0,2,0|1,0,0]=3 532 B8R1.7 O=C(O)C1=CSN=N1 Z178960862 [0,0,0,0,2,0|2,0,0]=4 533 B8R1.7 O=C(O)C1=NNC=C1 Z381357668 [0,0,0,0,2,0|2,0,0]=4 534 B8R1.7 O=C(O)C1=NOC=C1 Z147642256 [0,0,0,0,2,0|2,0,0]=4 535 B8R1.7 O=C(O)C1=NON=C1 Z1201620383 [0,0,0,0,2,0|1,0,1]=4 536 B8R1.7 O=C(O)C1=NSC=C1 Z1198233153 [0,0,0,0,2,0|2,0,0]=4 537 B8R1.7 O=C(O)C1=NSN=C1 Z425800962 [0,0,0,0,2,0|1,0,1]=4 538 B8R1.7 O=[N+]([O-])C1=CNC=N1 Z235345333 [0,0,0,0,2,0|1,0,1]=4 539 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,0,0,0,0,1|2,0,0]=4 540 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [1,0,0,0,0,1|1,0,1]=4 541 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [1,0,0,0,0,1|1,0,0]=3 542 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [1,0,0,0,0,1|1,0,0]=3 543 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [1,0,0,0,0,1|2,0,0]=4 544 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [1,0,0,0,0,1|1,0,1]=4 545 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [1,0,0,0,0,1|0,0,2]=4 546 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [0,0,0,0,0,2|2,0,0]=4 547 B12R1.252 CC(=O)CSCC1=NC=CC=N1 Z1838380902 [0,0,0,0,0,2|2,0,0]=4 548 B12R1.252 CC(=O)NCCC1=NC=CC=C1 Z32445986 [0,0,0,0,0,2|2,0,0]=4 549 B12R1.252 CC(=O)NCCC1=NC=CN=C1 Z1509178080 [0,0,0,0,0,2|1,0,1]=4 550 B12R1.252 NC(=O)CCSC1=NC=CC=N1 Z102922430 [0,0,0,0,0,2|2,0,0]=4 551 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [0,0,0,0,0,2|2,0,0]=4 552 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [0,0,0,0,0,2|2,0,0]=4 553 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [0,0,0,0,0,2|2,0,0]=4 554 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,0,0,0,0,2|2,0,0]=4 555 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [0,0,0,0,0,2|1,0,1]=4 556 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [0,0,0,0,0,2|1,0,0]=3 557 B12R1.252 O=C(O)CCCC1=NC=CN=C1 Z1262554933 [0,0,0,0,0,2|0,0,1]=3 558 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,0,0,0,0,2|2,0,0]=4 559 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [0,0,0,0,0,2|1,0,0]=3 560 B12R1.252 O=C(O)CCNC1=NC=CC=N1 Z246310120 [0,0,0,0,0,2|1,0,0]=3 561 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,0,0,0,0,2|2,0,0]=4 562 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [0,0,0,0,0,2|1,0,0]=3 563 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,0,0,0,0,2|2,0,0]=4 564 B12R1.252 O=C(O)CCSC1=NC=CC=C1 Z102927312 [0,0,0,0,0,2|1,0,0]=3 565 B12R1.252 O=C(O)CCSC1=NC=CC=N1 Z102922408 [0,0,0,0,0,2|1,0,0]=3 566 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [0,0,0,0,0,2|1,0,0]=3 567 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z1259041052 [0,0,0,0,0,2|1,0,0]=3 568 B12R1.252 O=C(O)COCC1=CC=NC=C1 Z1262561205 [0,0,0,0,0,2|1,0,1]=4 569 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [0,0,0,0,0,2|1,0,0]=3 570 B12R1.252 O=C(O)COCC1=NC=CC=C1 Z1262528420 [0,0,0,0,0,2|1,0,0]=3 571 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,0,0,0,0,2|2,0,0]=4 572 B12R1.252 O=C(O)CSCC1=CC=NC=C1 Z228589362 [0,0,0,0,0,2|1,0,1]=4 573 B12R1.252 O=C(O)CSCC1=CN=CC=C1 Z228589228 [0,0,0,0,0,2|1,0,0]=3 574 B12R1.252 O=C(O)CSCC1=NC=CC=C1 Z228589018 [0,0,0,0,0,2|1,0,0]=3 575 B12R1.255 O=C(O)CCCCC1=CNN=N1 Z1650031577 [0,0,0,0,0,2|1,0,0]=3 576 B12R1.255 O=C(O)CNCCC1=CC=CS1 Z1259273193 [0,0,0,0,0,2|2,0,0]=4