0 B7R1.4 CC1=C(C=CS1)Br Z1201624904 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.4 CC1=C(C=NN1)Cl Z1507502582 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 CC1=C(C=NO1)I Z1269175158 [0,0,0,0,0,0|3,1,0]=4 3 B7R1.4 CC1=C(C=NO1)N Z1465461252 [0,0,0,0,0,0|3,1,0]=4 4 B7R1.4 CC1=C(SC=N1)N Z1815155510 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.4 CC1=C(SN=C1)N Z3716437679 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.4 CC1=CC=NN1C Z826535916 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.4 CC1=CNC=C1C Z1198162792 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.4 CC1=CSC=C1N Z1492796718 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.4 CC1=NN=CN1C Z422646574 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.4 CC1=NNC=C1N Z600615694 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.4 CC1=NOC=C1N Z2466617876 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.4 CC1=NSC=C1N Z2737427927 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.4 CN1C=CN=C1Br Z959380970 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.4 CN1C=CN=C1N Z2309759326 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.4 CN1C=CN=C1S Z57901905 [0,0,0,0,0,0|2,1,0]=3 19 B7R1.4 CN1C=CNC1=O Z1198329852 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.4 CN1C=COC1=O Z2732441923 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.4 CN1C=NC=C1Cl Z168874650 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.4 CN1C=NN=C1N Z1692788308 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.4 CN1C=NN=C1S Z56922095 [0,0,0,0,0,0|3,1,0]=4 24 B7R1.4 CN1C=NNC1=O Z1526503443 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,0,0,0|1,0,2]=3 26 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.4 CN1CCSC1=N Z3242405392 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.4 CN1CNCC1=O Z1601562352 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.4 CN1N=CC=C1N Z415654476 [0,0,0,0,0,0|2,0,0]=2 30 B7R1.4 CN1N=CN=C1N Z56757681 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.4 CN1N=CN=C1S Z1655141058 [0,0,0,0,0,0|2,1,0]=3 32 B7R1.4 CN1N=NC=C1N Z4351247746 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.4 CN1N=NC=C1O Z4561746935 [0,0,0,0,0,0|2,0,1]=3 34 B7R1.4 CN1N=NN=C1Cl Z727906904 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.4 CN1N=NN=C1N Z56791607 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.4 CN1N=NN=C1O Z1492395436 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.4 CN1NC=NC1=O Z1582263737 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.4 CN1NN=NC1=S Z262221718 [0,0,0,0,0,0|3,1,0]=4 39 B7R1.4 CN1SC=CC1=O Z3227502095 [0,0,0,0,0,0|0,0,0]=0 40 B7R1.4 C[N+]1=C(SC=C1)N Z56872230 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,0,0,0|3,0,1]=4 42 B6R1.2 CC1=CC=CN1 Z594218440 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,0,0,0|1,1,0]=3 44 B6R1.2 CC1=CN=CN1 Z1945707502 [1,0,0,0,0,0|3,0,0]=4 45 B6R1.2 CC1=CN=CO1 Z1198180653 [1,0,0,0,0,0|2,1,0]=4 46 B6R1.2 CC1=CNC=C1 Z1203730789 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 CC1=COC=N1 Z1198313432 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 CC1=NC=CN1 Z104494990 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 CC1=NNC=C1 Z450469310 [1,0,0,0,0,0|2,0,1]=4 50 B6R1.2 CN1C=CC=C1 Z57127895 [1,0,0,0,0,0|1,0,0]=2 51 B6R1.2 CN1C=CC=N1 Z336081430 [1,0,0,0,0,0|1,0,0]=2 52 B6R1.2 CN1C=CN=C1 Z104506032 [1,0,0,0,0,0|2,0,0]=3 53 B6R1.2 CN1C=CN=N1 Z1198221873 [1,0,0,0,0,0|2,0,0]=3 54 B6R1.2 CN1C=NC=N1 Z237493308 [1,0,0,0,0,0|2,0,0]=3 55 B6R1.2 CN1C=NN=C1 Z2216303087 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 CN1C=NN=N1 Z1198150919 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 ClC1=NC=NN1 Z56788868 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 ClC1=NNC=C1 Z1255493581 [1,0,0,0,0,0|2,0,1]=4 59 B6R1.2 NC1=CC=NO1 Z415654518 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 NC1=CC=NS1 Z2568737642 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 NC1=CSC=C1 Z1962138158 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 NC1=CSN=C1 Z2467685283 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 NC1=NC=CN1 Z1262237195 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 NC1=NC=CS1 Z104472798 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 NC1=NNC=C1 Z240126818 [1,0,0,0,0,0|2,0,1]=4 66 B6R1.2 NC1=NSN=C1 Z2065788230 [1,0,0,0,0,0|2,0,1]=4 67 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 O=C1C=CNN1 Z1198154338 [1,0,0,0,0,0|1,0,0]=2 69 B6R1.2 O=C1C=CSN1 Z1741980421 [1,0,0,0,0,0|0,0,0]=1 70 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,0,0,0|1,0,2]=4 71 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,0,0,0|1,0,2]=4 72 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,0,0,0|1,0,2]=4 73 B6R1.2 O=C1NC=CN1 Z1198148260 [1,0,0,0,0,0|2,0,0]=3 74 B6R1.2 O=C1NC=CS1 Z445210514 [1,0,0,0,0,0|2,0,0]=3 75 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,0,0,0|2,0,1]=4 76 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,0,0,0|2,0,1]=4 77 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,0,0,0|2,0,1]=4 78 B6R1.2 OC1=NOC=C1 Z1255501207 [1,0,0,0,0,0|0,1,2]=4 79 B6R1.2 OC1=NSN=C1 Z119989398 [1,0,0,0,0,0|1,0,2]=4 80 B6R1.2 ON1C=CC=N1 Z1198342489 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.2 SC1=NC=CN1 Z1198723329 [1,0,0,0,0,0|2,1,0]=4 82 B6R1.2 SC1=NC=NN1 Z56871783 [1,0,0,0,0,0|2,1,0]=4 83 B8R1.11 C#CC1=CC=NN1C Z1183446001 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.11 CC1=C(C=CO1)C#N Z1079178988 [0,1,0,0,0,0|2,1,0]=4 85 B8R1.11 CC1=C(C=CO1)C=O Z1079442526 [0,1,0,0,0,0|1,1,0]=3 86 B8R1.11 CC1=C(C=CO1)CN Z803145352 [0,1,0,0,0,0|2,1,0]=4 87 B8R1.11 CC1=C(C=CO1)CO Z397587324 [0,1,0,0,0,0|1,1,1]=4 88 B8R1.11 CC1=C(C=CS1)C=O Z1255365611 [0,1,0,0,0,0|1,0,0]=2 89 B8R1.11 CC1=C(C=CS1)CN Z3034293414 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.11 CC1=C(C=NO1)C=O Z826536276 [0,1,0,0,0,0|2,1,0]=4 91 B8R1.11 CC1=C(C=NS1)C=O Z1198279981 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.11 CC1=C(N=CO1)C=O Z1198279989 [0,1,0,0,0,0|2,1,0]=4 93 B8R1.11 CC1=C(N=CS1)C=O Z1198279987 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.11 CC1=C(N=CS1)CN Z317098554 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.11 CC1=C(N=CS1)CO Z1198176703 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.11 CC1=C(NC=N1)C=O Z2686040987 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.11 CC1=C(OC=C1)C=O Z1079442566 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.11 CC1=C(OC=C1)CN Z291234200 [0,1,0,0,0,0|2,1,0]=4 99 B8R1.11 CC1=C(OC=N1)C=O Z1198279990 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.11 CC1=C(SC=C1)C#N Z381355194 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.11 CC1=C(SC=C1)C=O Z104477012 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.11 CC1=C(SC=C1)CN Z235352157 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.11 CC1=C(SC=N1)C=O Z1079442366 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.11 CC1=C(SC=N1)CN Z291234254 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.11 CC1=C(SC=N1)CO Z397587526 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.11 CC1=CNC=C1C=O Z1203832675 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.11 CC1=CSC=C1C=O Z1201623037 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.11 CC1=NNC=C1C=O Z319610836 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.11 CC1=NOC=C1C=O Z1198279977 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.11 CC1=NSC=C1C=O Z1198279895 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.11 CCN1C=CN=C1N Z594268182 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.11 CCN1C=CN=C1S Z220434788 [0,1,0,0,0,0|2,1,0]=4 113 B8R1.11 CCN1C=CNC1=O Z1198329853 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.11 CCN1CCCC1=O Z1255438420 [0,1,0,0,0,0|1,0,2]=4 115 B8R1.11 CCN1CCNC1=O Z1179328150 [0,1,0,0,0,0|2,0,1]=4 116 B8R1.11 CCN1N=CC=C1N Z56347291 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.11 CCN1N=CCC1=O Z3477438900 [0,1,0,0,0,0|1,0,1]=3 118 B8R1.11 CN1C=CC=C1C#N Z56766658 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.11 CN1C=CC=C1C=O Z104485562 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.11 CN1C=CC=C1CN Z362827744 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.11 CN1C=CN=C1C#N Z1116403969 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.11 CN1C=CN=C1C=O Z363989438 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.11 CN1C=CN=C1CCl Z90122361 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.11 CN1C=CN=C1CN Z235536854 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.11 CN1C=CN=C1CO Z212169576 [0,1,0,0,0,0|2,0,1]=4 126 B8R1.11 CN1C=NC=C1C#N Z1201623260 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.11 CN1C=NC=C1C=O Z1065768466 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.11 CN1C=NC=C1CN Z1198266141 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.11 CN1C=NC=C1CO Z1115775402 [0,1,0,0,0,0|2,0,1]=4 130 B8R1.11 CN1N=CC=C1C=O Z325191230 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.11 CN1N=CC=C1CN Z316122740 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.11 CN1N=CC=C1CO Z501748978 [0,1,0,0,0,0|1,0,1]=3 133 B8R1.11 CN1N=CN=C1CO Z2786104722 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.11 CN1N=NC=C1CN Z2111525634 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.11 CN1N=NC=C1CO Z1251355468 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.11 CNC1=CC=NN1C Z1259162018 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.11 CSC1=NC=CN1C Z18499760 [0,1,0,0,0,0|2,1,0]=4 138 B8R1.11 N#CC1=C(SC=C1)N Z56820754 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.11 NCC1=C(C=CS1)Cl Z3244521023 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.11 NCC1=C(SC=C1)Cl Z4459561724 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.11 NCC1=C(SC=C1)I Z4912253513 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.11 O=C1CCCN1CO Z56755633 [0,1,0,0,0,0|1,0,2]=4 143 B8R1.11 O=CC1=C(C=CS1)Br Z1157754111 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.11 O=CC1=C(C=CS1)Cl Z1198158625 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.11 O=CC1=C(C=CS1)I Z1269213460 [0,1,0,0,0,0|2,0,1]=4 146 B8R1.11 O=CC1=C(OC=C1)Br Z1255361306 [0,1,0,0,0,0|2,1,0]=4 147 B8R1.11 O=CC1=C(SC=C1)Br Z1198182415 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.11 O=CC1=C(SC=C1)Cl Z1198181306 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.18 CC1=C(SC(=N1)Cl)C Z1037582644 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.18 CC1=C(SC(=N1)N)C Z48847528 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.18 CC1=C(SC(=N1)S)C Z1198148053 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.18 CC1=C(SC(=O)N1)C Z409413538 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.18 CC1=CC(=C(S1)Br)C Z1255397918 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.18 CC1=CC(=C(S1)C)Br Z1198655269 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.18 CC1=CC(=C(S1)C)I Z1347205942 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.18 CC1=CC(=C(S1)C)N Z3013884071 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.18 CC1=CC(=NN1C)C Z1201023055 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.18 CC1=CC(=NN1C)N Z995041200 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.18 CC1=NC(=NN1C)N Z1198175662 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.18 CC1=NN(C(=C1)N)C Z55423092 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.18 CC1=NN(C(=N1)N)C Z56757682 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.18 CC1=NN(C(=O)C1)C Z50146885 [0,1,0,0,0,0|1,0,1]=3 165 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.18 CC1SC(=NC1=O)N Z57104427 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.18 CN1C=C(C=C1N)Br Z4121492788 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.18 CN1C=C(N=C1N)O Z104500556 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.18 CN1CC(=NC1=O)N Z1203653661 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,1,0,0,0,0|1,0,2]=4 173 B8R1.18 CN1N=C(SC1=O)N Z1203580580 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.18 CN1NC(=N)CC1=O Z1197987885 [0,1,0,0,0,0|1,0,1]=3 175 B8R1.18 CN1NC(=O)C=C1N Z361888728 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.18 CN1NC(=O)N=C1S Z217165566 [0,1,0,0,0,0|2,1,0]=4 177 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,1,0,0,0,0|1,1,0]=3 179 B8R1.18 NC1=C(SC(=C1)Cl)Cl Z1509459810 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.50 CC1=C(C=NN1C)Br Z1198224382 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.50 CC1=C(C=NN1C)I Z1269221703 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.50 CC1=C(C=NN1C)N Z235263805 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.50 CC1=C(N(C=N1)C)N Z951327034 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.50 CC1=C(N(N=C1)C)N Z2106610991 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.50 CC1=C(N=NN1C)N Z2326994790 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.50 CC1=C(SC=C1Br)Br Z1269129060 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.50 CC1=CNC(=C1C)C Z1162450215 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.50 CC1=NC=C(N1C)Br Z1201623659 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.50 CC1=NC=C(N1C)N Z2310678658 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.50 CC1=NNC(=O)N1C Z1504678222 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.50 CC1=NSC(=C1I)C Z1783198803 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,0,0,0|2,0,1]=4 193 B8R1.50 CN1C(=N)NCC1=O Z2526439738 [0,1,0,0,0,0|2,0,1]=4 194 B8R1.50 CN1C(=O)C=CC1=O Z203053858 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.50 CN1C(=O)CN=C1S Z3219957196 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.50 CN1C(=O)CNC1=O Z54599682 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,0,0,0|2,0,1]=4 198 B8R1.50 CN1C(=O)NN=C1N Z1203584694 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.50 CN1C(=O)NN=C1S Z57052866 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.50 CN1C(=O)NNC1=O Z1117899218 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.50 CN1CCN(C1=O)C Z56755571 [0,1,0,0,0,0|2,0,1]=4 202 B8R1.50 CN1N=CC(=C1N)Br Z2238829052 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.50 CN1N=CC(=C1N)Cl Z4947384299 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.50 CN1N=CC(=C1N)F Z3409960609 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.50 CN1N=CC(=C1N)I Z1397931305 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,1,0,0,0,0|0,1,2]=4 207 B6R0.1 CNC(=O)CC#N Z56945997 [0,0,1,0,0,0|1,0,2]=4 208 B6R0.1 CNC(=O)CCCl Z239813512 [0,0,1,0,0,0|1,0,2]=4 209 B6R0.1 CNC(=O)CCN Z425449754 [0,0,1,0,0,0|1,0,2]=4 210 B6R0.1 CNC(=O)CCO Z975909370 [0,0,1,0,0,0|0,1,2]=4 211 B6R0.1 CNCC(=O)NC Z57981096 [0,0,1,0,0,0|2,0,1]=4 212 B6R0.3 C#CC(=O)N(C)C Z1509741471 [0,0,1,0,0,0|1,0,2]=4 213 B6R0.3 CN(C)C(=O)CN Z54751082 [0,0,1,0,0,0|2,0,1]=4 214 B6R0.3 CN(C)C(=O)CO Z431952018 [0,0,1,0,0,0|2,0,1]=4 215 B6R0.3 CN(N=O)C(=O)N Z104475776 [0,0,1,0,0,0|3,0,0]=4 216 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,1,0,0,0|2,0,1]=4 217 B8R1.4 CC1=CC(=CC=C1)F Z104474044 [0,0,0,0,0,1|3,0,0]=4 218 B8R1.4 CC1=CC(=CC=C1)N Z57127904 [0,0,0,0,0,1|3,0,0]=4 219 B8R1.4 CC1=CC(=CC=C1)O Z104473820 [0,0,0,0,0,1|2,0,1]=4 220 B8R1.4 CC1=CC(=O)NC=C1 Z1065655286 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.4 CC1=CC=CC(=C1)C Z199056430 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.4 CC1=CC=CC(=N1)C Z104472820 [0,0,0,0,0,1|3,0,0]=4 223 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [0,0,0,0,0,1|2,0,0]=3 224 B8R1.4 CC1=NC(=CC=C1)Br Z600403652 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.4 CC1=NC(=CC=C1)N Z104476000 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.4 CC1=NC(=CC=N1)Br Z1013760006 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.4 CC1=NC(=CC=N1)Cl Z445153084 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.4 CC1=NC(=N)C=CN1 Z2092177023 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.4 CC1=NC(=O)C=CN1 Z1269638492 [0,0,0,0,0,1|2,0,0]=3 230 B8R1.4 CC1=NC(=O)NC=C1 Z1065584884 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.4 CC1=NC=CC(=C1)[S-] Z3014227847 [0,0,0,0,0,1|2,1,0]=4 232 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,0,0,0,0,1|2,0,0]=3 233 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,0,0,1|1,0,2]=4 234 B8R1.4 NC1=NC=CC(=O)N1 Z801295650 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.4 O=C1C=CN=C(N1)S Z56771015 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.4 O=C1C=CNC(=O)N1 Z56889474 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.4 O=C1C=COC(=C1)O Z1198306031 [0,0,0,0,0,1|2,1,0]=4 238 B8R1.5 CC1=C(C=CC=C1)C Z212053190 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.5 CC1=C(C=CC=C1)F Z104474026 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.5 CC1=C(C=CC=C1)N Z57127943 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.5 CC1=C(C=CC=C1)O Z104473822 [0,0,0,0,0,1|2,0,1]=4 242 B8R1.5 CC1=C(C=CC=N1)I Z1269190410 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.5 CC1=C(C=CN=C1)Br Z1201621264 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.5 CC1=C(C=CN=N1)N Z1964347676 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.5 CC1=C(C=NC=C1)Br Z1255379175 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.5 CC1=C(C=NC=C1)N Z625801040 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.5 CC1=C(N=CC=C1)Br Z968908232 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.5 CC1=C(N=CC=C1)C Z104472816 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.5 CC1=C(N=CC=C1)N Z203045034 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.5 CC1=C(N=CC=C1)S Z968907338 [0,0,0,0,0,1|2,1,0]=4 251 B8R1.5 CC1=C(N=CC=N1)Br Z1198181977 [0,0,0,0,0,1|3,0,0]=4 252 B8R1.5 CC1=C(N=CC=N1)C Z448248230 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.5 CC1=C(N=CC=N1)Cl Z1198147877 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.5 CC1=C(N=CC=N1)F Z1551948468 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.5 CC1=C(N=CC=N1)N Z3068686273 [0,0,0,0,0,1|3,0,0]=4 256 B8R1.5 CC1=C(N=CC=N1)O Z1198157257 [0,0,0,0,0,1|2,0,1]=4 257 B8R1.5 CC1=C(N=CN=C1)C Z2760929781 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.5 CC1=CC=CNC1=O Z1013766914 [0,0,0,0,0,1|2,0,0]=3 259 B8R1.5 CC1=CC=NNC1=O Z3227035121 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.5 CC1=CNC=CC1=N Z1263529539 [0,0,0,0,0,1|3,0,0]=4 261 B8R1.5 CC1=[N+](C=CC=C1)C Z56791140 [0,0,0,0,0,1|2,0,1]=4 262 B8R1.5 CC1SCCCC1=O Z1359849054 [0,0,0,0,0,1|1,0,2]=4 263 B8R1.5 CC1SCCNC1=O Z1098219156 [0,0,0,0,0,1|1,0,2]=4 264 B8R1.5 CN1C=CC=CC1=S Z56928900 [0,0,0,0,0,1|1,1,0]=3 265 B8R1.5 CN1C=CC=NC1=O Z1198218328 [0,0,0,0,0,1|1,0,0]=2 266 B8R1.5 CN1CCNCC1=O Z1250100764 [0,0,0,0,0,1|1,0,2]=4 267 B8R1.5 CN1CNCNC1=O Z5130722475 [0,0,0,0,0,1|2,0,1]=4 268 B8R1.5 C[N+]1=C(C=CC=C1)Br Z56756330 [0,0,0,0,0,1|2,0,1]=4 269 B8R1.5 C[N+]1=C(C=CC=C1)Cl Z104501460 [0,0,0,0,0,1|2,0,1]=4 270 B8R1.5 C[N+]1=C(C=CC=C1)N Z56872249 [0,0,0,0,0,1|2,0,1]=4 271 B8R1.5 NC1=NC=CNC1=O Z3225902419 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.5 O=C1C=CC=CN1O Z1198152560 [0,0,0,0,0,1|2,0,0]=3 273 B8R1.5 O=C1C=COC=C1O Z1198235068 [0,0,0,0,0,1|2,1,0]=4 274 B8R1.5 O=C1NC=CC=C1I Z1269208652 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.5 O=C1NC=CC=C1O Z104495360 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.5 O=C1OC=CC=C1O Z1198156687 [0,0,0,0,0,1|3,0,0]=4 277 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,1,0,0,0|2,0,0]=4 278 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,1,0,0,0|2,0,0]=4 279 B5R0.2 C=C/C=C/CN Z3270208113 [1,0,1,0,0,0|2,0,0]=4 280 B5R0.3 CCN(C)C=O Z1258520870 [1,0,1,0,0,0|0,0,2]=4 281 B5R0.3 CNC(=O)CCl Z56891219 [1,0,1,0,0,0|1,0,1]=4 282 B5R0.3 CNC(=O)CN Z57981102 [1,0,1,0,0,0|1,0,1]=4 283 B5R0.3 CNC(=O)CO Z431952700 [1,0,1,0,0,0|0,1,1]=4 284 B5R0.3 CNC(=O)CS Z1203730878 [1,0,1,0,0,0|0,0,1]=3 285 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,1,0,0,0|2,0,0]=4 286 B5R1.1 C1=CCNC1 Z2306624771 [2,0,0,0,0,0|1,0,1]=4 287 B5R1.1 C1=CNC=C1 Z104479036 [2,0,0,0,0,0|1,0,0]=3 288 B5R1.1 C1=CNC=N1 Z104472692 [2,0,0,0,0,0|2,0,0]=4 289 B5R1.1 C1=CNN=C1 Z104507728 [2,0,0,0,0,0|1,0,0]=3 290 B5R1.1 C1=CNN=N1 Z237528494 [2,0,0,0,0,0|2,0,0]=4 291 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,1,1,0,0,0|1,0,1]=4 292 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,1,0,0,0|0,1,1]=4 293 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,1,0,0,0|1,1,0]=4 294 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,1,0,0,0|2,0,0]=4 295 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,1,1,0,0,0|1,0,0]=3 296 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,1,1,0,0,0|2,0,0]=4 297 B7R0.14 C=CC(=O)C(C)(C)C Z940201244 [0,1,1,0,0,0|2,0,0]=4 298 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,1,1,0,0,0|2,0,0]=4 299 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [0,1,1,0,0,0|2,0,0]=4 300 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,1,1,0,0,0|2,0,0]=4 301 B7R1.1 CCC1=CC=CO1 Z640169748 [1,1,0,0,0,0|1,1,0]=4 302 B7R1.1 CCN1C=CC=N1 Z600618624 [1,1,0,0,0,0|1,0,0]=3 303 B7R1.1 CCN1C=CN=C1 Z286789018 [1,1,0,0,0,0|2,0,0]=4 304 B7R1.1 CCN1C=CN=N1 Z4497103939 [1,1,0,0,0,0|2,0,0]=4 305 B7R1.1 CNC1=NC=CS1 Z336483296 [1,1,0,0,0,0|2,0,0]=4 306 B7R1.1 COC1=NSC=C1 Z1198333966 [1,1,0,0,0,0|0,0,2]=4 307 B7R1.1 N#CC1=CC=CS1 Z56946090 [1,1,0,0,0,0|1,0,1]=4 308 B7R1.1 N#CC1=CC=NN1 Z1082448654 [1,1,0,0,0,0|2,0,0]=4 309 B7R1.1 N#CC1=CSC=C1 Z57900046 [1,1,0,0,0,0|2,0,0]=4 310 B7R1.1 N#CC1=NSC=C1 Z1255498705 [1,1,0,0,0,0|1,0,1]=4 311 B7R1.1 NCC1=CC=CN1 Z976631692 [1,1,0,0,0,0|2,0,0]=4 312 B7R1.1 NCC1=CC=CS1 Z104485908 [1,1,0,0,0,0|1,0,0]=3 313 B7R1.1 NCC1=CC=NS1 Z2310716170 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.1 NCC1=NC=CS1 Z1198107502 [1,1,0,0,0,0|2,0,0]=4 315 B7R1.1 O=CC1=CC=CN1 Z104478580 [1,1,0,0,0,0|1,0,0]=3 316 B7R1.1 O=CC1=CC=CO1 Z57161925 [1,1,0,0,0,0|2,0,0]=4 317 B7R1.1 O=CC1=CC=CS1 Z104472120 [1,1,0,0,0,0|1,0,1]=4 318 B7R1.1 O=CC1=CCSC1 Z57981092 [1,1,0,0,0,0|1,0,1]=4 319 B7R1.1 O=CC1=CNC=C1 Z1154253206 [1,1,0,0,0,0|2,0,0]=4 320 B7R1.1 O=CC1=COC=C1 Z1065630348 [1,1,0,0,0,0|1,1,0]=4 321 B7R1.1 O=CC1=CSC=C1 Z57887873 [1,1,0,0,0,0|1,0,0]=3 322 B7R1.1 O=CC1=CSC=N1 Z734052598 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.1 O=CC1=NNC=C1 Z234896951 [1,1,0,0,0,0|1,0,1]=4 324 B7R1.1 OCC1=CC=CO1 Z104472794 [1,1,0,0,0,0|1,1,0]=4 325 B7R1.1 OCC1=CC=CS1 Z104478586 [1,1,0,0,0,0|1,0,0]=3 326 B7R1.1 OCC1=NC=CS1 Z57161013 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.1 OCN1C=CC=N1 Z1198155714 [1,1,0,0,0,0|1,0,0]=3 328 B7R1.1 OCN1C=NC=N1 Z57071658 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.2 BrC1=CSC(=C1)Br Z1245646694 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.2 CC1=CC(=NN1)C Z50145988 [1,1,0,0,0,0|2,0,0]=4 331 B7R1.2 CC1=CC(=NS1)N Z1198165856 [1,1,0,0,0,0|1,0,1]=4 332 B7R1.2 CC1=CC(=O)NO1 Z56761467 [1,1,0,0,0,0|0,1,0]=3 333 B7R1.2 CC1=CC=C(S1)Br Z1255383262 [1,1,0,0,0,0|1,0,0]=3 334 B7R1.2 CC1=CN=C(S1)N Z104500072 [1,1,0,0,0,0|2,0,0]=4 335 B7R1.2 CC1=CSC(=O)N1 Z57055803 [1,1,0,0,0,0|2,0,0]=4 336 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [1,1,0,0,0,0|2,0,0]=4 337 B7R1.2 CC1=NC=C(S1)N Z951517342 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.2 CC1=NNC(=C1)N Z55423088 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.2 CC1=NNC(=O)C1 Z50145989 [1,1,0,0,0,0|1,0,1]=4 340 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [1,1,0,0,0,0|2,0,0]=4 341 B7R1.2 CC1=NSC(=C1)N Z204042038 [1,1,0,0,0,0|1,0,1]=4 342 B7R1.2 CN1C=C(C=N1)Br Z337709426 [1,1,0,0,0,0|1,0,0]=3 343 B7R1.2 CN1C=C(C=N1)I Z957334240 [1,1,0,0,0,0|1,0,0]=3 344 B7R1.2 CN1C=C(C=N1)N Z1741968059 [1,1,0,0,0,0|1,0,0]=3 345 B7R1.2 CN1C=C(C=N1)O Z1258763763 [1,1,0,0,0,0|1,0,0]=3 346 B7R1.2 CN1C=C(N=N1)Br Z1198276396 [1,1,0,0,0,0|2,0,0]=4 347 B7R1.2 CN1C=C(N=N1)N Z2177030666 [1,1,0,0,0,0|2,0,0]=4 348 B7R1.2 CN1C=CC(=N1)O Z1343577415 [1,1,0,0,0,0|1,0,0]=3 349 B7R1.2 CN1C=NC(=C1)N Z2472857442 [1,1,0,0,0,0|2,0,0]=4 350 B7R1.2 CN1C=NC(=N1)N Z57466217 [1,1,0,0,0,0|2,0,0]=4 351 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [1,1,0,0,0,0|2,0,0]=4 352 B7R1.2 ClC1=CC=C(S1)Br Z1203161749 [1,1,0,0,0,0|2,0,0]=4 353 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [1,1,0,0,0,0|2,0,0]=4 354 B7R1.2 NC1=CC(=O)NN1 Z1245635875 [1,1,0,0,0,0|1,0,0]=3 355 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [1,1,0,0,0,0|1,0,1]=4 356 B7R1.2 NC1=NC(=O)CS1 Z57104428 [1,1,0,0,0,0|2,0,0]=4 357 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [1,1,0,0,0,0|2,0,0]=4 358 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [1,1,0,0,0,0|1,0,0]=3 359 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [1,1,0,0,0,0|1,0,1]=4 360 B7R1.2 O=C1CNC(=O)N1 Z57131035 [1,1,0,0,0,0|2,0,0]=4 361 B7R1.2 O=C1CSC(=O)N1 Z57131032 [1,1,0,0,0,0|2,0,0]=4 362 B7R1.2 O=C1CSC(=S)N1 Z57127468 [1,1,0,0,0,0|2,0,0]=4 363 B7R1.2 O=C1N=C(NN1)S Z1723849188 [1,1,0,0,0,0|2,0,0]=4 364 B7R1.2 O=C1NC=C(S1)Cl Z1270529019 [1,1,0,0,0,0|2,0,0]=4 365 B7R1.2 O=C1NNC(=O)N1 Z1255461133 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.2 CC1=CC(=CC=C1)C=O Z104478208 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.2 CC1=NC(=CC=C1)C=O Z1079442396 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.2 CC1=NC=CC(=C1)C=O Z1198168755 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.3 CC1=C(C(=O)C=CN1)C Z1203830064 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.3 CC1=C(C(=O)C=CO1)O Z1255382969 [0,1,0,0,0,1|1,1,0]=4 371 B9R1.3 CN1C=CC=C(C1=O)Br Z1198320616 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.3 CN1C=CC=C(C1=O)O Z1201625929 [0,1,0,0,0,1|1,0,1]=4 373 B9R1.3 CN1C=CNC(=O)C1=O Z1020694354 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.34 CC1=CC(=CC(=O)O1)O Z104477314 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.34 CC1=CC(=O)C=C(N1)C Z56754506 [0,1,0,0,0,1|2,0,0]=4 376 B9R1.34 CC1=CC(=O)C=C(O1)C Z104477080 [0,1,0,0,0,1|1,1,0]=4 377 B9R1.34 CC1=NC(=CC(=O)N1)N Z217102808 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.34 CC1CC(=CC(=O)O1)O Z1255485574 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.69 CC1=C(C=CC(=O)N1)Br Z1251353594 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.69 CC1=CC(=O)C(=CN1)O Z1203733549 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.69 CC1=CC(=O)C(=CO1)O Z1198164652 [0,1,0,0,0,1|1,1,0]=4 382 B9R1.69 CC1=CC(=O)C=CC1=O Z57248271 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.69 CC1=NC=C(C(=O)N1)I Z1695821889 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.69 CN1C=C(C=CC1=O)Br Z360013150 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.69 CN1C=C(C=CC1=O)N Z594413772 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.15 CC1=C(C=CC=C1)C=O Z104478122 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.15 CC1=C(C=CC=N1)C=O Z1104852897 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.15 CC1=C(C=CN=C1)C=O Z1201621679 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.15 CC1=C(C=NC=C1)C=O Z1198173330 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.15 CC1=C(N=CC=C1)C=O Z1079442732 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.15 CC1=C(N=CC=N1)C=O Z1198233269 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.15 CCC1=NC=CNC1=O Z3274889193 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.15 COC1=CC=CNC1=O Z2678251321 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.14 C=CN1N=CC=C1C=O Z3243520084 [0,2,0,0,0,0|1,0,1]=4 395 B9R1.14 CCC1=C(C=NS1)C=O Z3242852913 [0,2,0,0,0,0|2,0,0]=4 396 B9R1.14 CCC1=C(SC=C1)CN Z815289796 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.14 CCN1C=CC=C1C=O Z425487130 [0,2,0,0,0,0|1,0,0]=3 398 B9R1.14 CCN1C=CC=C1CN Z5032969211 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.14 CCN1C=CN=C1C=O Z965810096 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.14 CCN1C=NC=C1C=O Z1198171741 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.14 CCN1N=CC=C1C=O Z1183459100 [0,2,0,0,0,0|1,0,0]=3 402 B9R1.14 CCN1N=CN=C1C=O Z1198275612 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.14 CCN1N=NC=C1C=O Z1551925073 [0,2,0,0,0,0|2,0,0]=4 404 B9R1.14 CNC1=C(C=CS1)C#N Z1082871570 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.14 COC1=C(C=CS1)C#N Z2934527346 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.14 COC1=C(C=CS1)C=O Z3174715855 [0,2,0,0,0,0|1,0,0]=3 407 B9R1.22 CC1=C(C=C(S1)Cl)C=O Z2732477786 [0,2,0,0,0,0|1,0,0]=3 408 B9R1.22 CC1=C(N=C(S1)Br)C=O Z1269219955 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.22 CC1=CC(=C(N1)C)C=O Z85921954 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.22 CC1=CC(=C(O1)C)C=O Z57500361 [0,2,0,0,0,0|1,1,0]=4 411 B9R1.22 CC1=CC(=C(S1)C)C=O Z336080308 [0,2,0,0,0,0|1,0,0]=3 412 B9R1.22 CC1=CC(=C(S1)C)CN Z825742654 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.22 CC1=CC(=C(S1)C)CO Z385370378 [0,2,0,0,0,0|1,0,1]=4 414 B9R1.22 CC1=CC(=C(S1)CN)C Z4739472615 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.22 CC1=CC(=NN1CO)C Z1255427262 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.22 CC1=CN(C(=N1)C=O)C Z1198279983 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.22 CC1=NC(=C(S1)C)C=O Z1216842195 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.22 CC1=NN(C(=C1)C=O)C Z1201621821 [0,2,0,0,0,0|1,0,0]=3 419 B9R1.22 CC1=NN(C(=C1)CN)C Z803051054 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.22 CC1=NN(C(=C1)CO)C Z1201621842 [0,2,0,0,0,0|1,0,1]=4 421 B9R1.22 CC1=NN(C(=N1)C=O)C Z2684283565 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.22 CCC1=CC(=NN1C)N Z995041682 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.22 CCC1SC(=NC1=O)N Z57148419 [0,2,0,0,0,0|2,0,0]=4 424 B9R1.22 CCN1N=C(C=C1N)C Z802540754 [0,2,0,0,0,0|2,0,0]=4 425 B9R1.22 CCN1N=C(CC1=O)C Z277112236 [0,2,0,0,0,0|1,0,1]=4 426 B9R1.22 CN1C=C(C=C1C#N)Br Z1238571568 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.22 CN1C=C(C=C1C#N)Cl Z1813195699 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.22 CN1C=C(C=C1C#N)I Z1813117629 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.22 CN1C=C(C=C1C=O)Br Z1511750481 [0,2,0,0,0,0|1,0,0]=3 430 B9R1.22 CN1C=C(C=C1CN)Br Z3628999432 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.22 CN1C=C(C=C1CN)Cl Z5291276313 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.22 CN1C=C(N=C1C=O)Br Z1504670188 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.22 CN1N=C(C=C1C#N)N Z3326499277 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.22 CN1N=C(C=C1C=O)Br Z1416170989 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.22 COC1=CC(=NN1C)C Z1416158332 [0,2,0,0,0,0|1,0,1]=4 436 B9R1.22 COC1=CC(=NN1C)N Z1741785970 [0,2,0,0,0,0|1,0,1]=4 437 B9R1.22 NCC1=C(C=C(S1)Cl)Br Z4951080071 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.22 O=CC1=C(SC(=C1)Br)Br Z1190318840 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.22 O=CC1=C(SC(=C1)Br)I Z4359811567 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.22 O=CC1=C(SC(=C1)Cl)Cl Z1190318839 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.24 CC1(SCC=C1C=O)C Z1511855455 [0,2,0,0,0,0|1,0,1]=4 442 B9R1.27 C=CN1C(=O)C=CC1=O Z2375614796 [0,2,0,0,0,0|1,0,1]=4 443 B9R1.27 CC1=C(N(C=N1)C)C=O Z1198279986 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.27 CC1=C(N(N=C1)C)C=O Z1198323741 [0,2,0,0,0,0|1,0,0]=3 445 B9R1.27 CC1=C(N(N=C1)C)CN Z4606901392 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.27 CC1=C(N(N=N1)C)C=O Z1198280040 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.27 CC1=CNC(=C1C=O)C Z856210716 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.27 CC1=NSC(=C1C=O)C Z1216816081 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.27 CCC1=C(C=NN1C)N Z3182040774 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.27 CCN1C(=O)C=CC1=O Z205012234 [0,2,0,0,0,0|1,0,0]=3 451 B9R1.27 CN1C=NC(=C1C=O)Br Z1255373007 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.27 CN1C=NC(=C1C=O)Cl Z1245633453 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.27 CN1C=NC(=C1C=O)I Z1269164439 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.27 CN1N=CC(=C1C=O)Br Z275128484 [0,2,0,0,0,0|1,0,0]=3 455 B9R1.27 CN1N=CC(=C1C=O)Cl Z1201620164 [0,2,0,0,0,0|1,0,0]=3 456 B9R1.27 CN1N=CC(=C1C=O)I Z1551955560 [0,2,0,0,0,0|1,0,0]=3 457 B9R1.27 CN1N=CC(=C1CN)Br Z2106599926 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.27 CN1N=CC(=C1CO)Br Z1216819596 [0,2,0,0,0,0|1,0,1]=4 459 B9R1.27 CNC1=C(C=NN1C)Br Z3214933391 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.33 C=CCN1N=CSC1=O Z1738059637 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.33 CC1=C(SC=C1)CC=O Z1250885386 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.33 CCCN1NC=CC1=N Z1245633132 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.33 CN1N=CC=C1CC#N Z1198234705 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.33 CN1N=CC=C1CCCl Z1824511155 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.33 CN1N=CC=C1CCN Z1183446166 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.33 CN1N=CC=C1CCO Z1183446153 [0,2,0,0,0,0|1,0,1]=4 467 B9R1.33 CNCC1=C(C=CS1)Br Z1342208365 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.33 CNCC1=C(C=CS1)C Z85956636 [0,2,0,0,0,0|2,0,0]=4 469 B9R1.33 CNCC1=CC=CN1C Z57778741 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.33 NCCN1C=CSC1=O Z1123714633 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.41 CC(=O)C1=C(C=CS1)Br Z381006388 [0,2,0,0,0,0|2,0,0]=4 472 B9R1.41 CC(=O)C1=C(C=CS1)C Z837063696 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.41 CC(=O)C1=CC=CN1C Z1255461119 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.41 CC(=O)C1=CC=NN1C Z1183445308 [0,2,0,0,0,0|1,0,0]=3 475 B9R1.41 CC(=O)C1=CN=CN1C Z1198180277 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.41 CC(=O)C1=CN=NN1C Z1216849080 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.41 CC(=O)C1=NC=CN1C Z277141058 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.41 CC(C)C1=C(C=CS1)N Z4702454044 [0,2,0,0,0,0|2,0,0]=4 479 B9R1.41 CC(C)N1N=CC=C1N Z55928891 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.41 CC(C)N1N=CCC1=O Z2654038469 [0,2,0,0,0,0|1,0,1]=4 481 B9R1.41 CC1=C(C=CN1)C(=O)O Z1203731440 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.41 CC1=C(C=CO1)C(=O)O Z104479606 [0,2,0,0,0,0|1,1,0]=4 483 B9R1.41 CC1=C(C=CS1)C(=O)O Z1198158842 [0,2,0,0,0,0|1,0,0]=3 484 B9R1.41 CC1=C(N=CS1)C(=O)O Z1198169843 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.41 CC1=C(SC=C1)C(C)O Z837065414 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.41 CN1C=CC=C1C(=N)N Z4914354380 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.41 CN1C=CC=C1C(=O)N Z56852683 [0,2,0,0,0,0|1,0,0]=3 488 B9R1.41 CN1C=CC=C1C(=O)O Z56899027 [0,2,0,0,0,0|1,0,0]=3 489 B9R1.41 CN1C=CN=C1C(=O)N Z1203578467 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.41 CN1C=NC=C1C(=O)O Z1201620699 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.41 CN1C=NC=C1[N+](=O)[O-] Z1255415727 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.41 CN1N=CC=C1C(=N)N Z4598913940 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.41 CN1N=CC=C1C(=O)O Z275167524 [0,2,0,0,0,0|1,0,0]=3 494 B9R1.41 CN1N=CN=C1C(=O)[O-] Z2677051788 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.41 CN1N=NC=C1C(=O)O Z1198276419 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.41 NC(=O)C1=C(SC=C1)Br Z1269126697 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.41 NC(=O)C1=C(SC=C1)N Z56800649 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.41 O=C(O)C1=C(SC=C1)Br Z1269180691 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.41 O=C(O)C1=C(SC=C1)Cl Z1198150549 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.41 O=C(O)C1=C(SC=C1)I Z1269188192 [0,2,0,0,0,0|2,0,0]=4 501 B9R1.132 CC1=C(C(=CS1)C=O)C Z1511763162 [0,2,0,0,0,0|2,0,0]=4 502 B9R1.132 CC1=C(C(=CS1)CO)C Z1198310118 [0,2,0,0,0,0|2,0,0]=4 503 B9R1.132 CC1=C(C(=CS1)CO)N Z4895300395 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.132 CC1=C(C=NN1C)C=O Z275170376 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.132 CC1=C(C=NN1C)CN Z275170390 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.132 CC1=C(C=NN1C)CO Z275128446 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.132 CC1=CC=C(N1C)C=O Z1198220874 [0,2,0,0,0,0|1,0,0]=3 508 B9R1.132 CC1=CC=C(N1C)CN Z56968795 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.132 CC1=CN=C(N1C)C=O Z1198279984 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.132 CC1=NC=C(N1C)C=O Z1201623537 [0,2,0,0,0,0|2,0,0]=4 511 B9R1.132 CCN1N=CC(=C1C)N Z2106599870 [0,2,0,0,0,0|2,0,0]=4 512 B9R1.132 CCN1N=CC(=C1N)C Z367445718 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.132 CCN1N=CC(=C1N)I Z854057996 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.132 CN1C(=CC=C1C=O)Cl Z1255436212 [0,2,0,0,0,0|1,0,0]=3 515 B9R1.132 CN1C(=CN=C1Br)C=O Z1198276318 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.132 CN1C(=CN=C1C=O)Cl Z1511751918 [0,2,0,0,0,0|2,0,0]=4 517 B9R1.132 CN1C(=CN=C1Cl)C=O Z1198276275 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.132 CN1N=CC(=C1Br)C=O Z1255374303 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.132 CN1N=CC(=C1Cl)C=O Z1229645218 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.132 CN1N=CC(=C1F)C=O Z2732445309 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.132 CN1N=CC(=C1N)C#N Z55410313 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.132 CN1N=CC(=C1N)C=O Z1198180926 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.132 CN1NC=C(C1=N)CN Z1318147483 [0,2,0,0,0,0|2,0,0]=4 524 B9R1.132 OCC1=C(C(=CS1)Cl)Cl Z3182693542 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.23 CC1=C(C=C(S1)C=O)Br Z1269128772 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.23 CC1=C(SC(=C1)C=O)C Z1255488969 [0,2,0,0,0,0|2,0,0]=4 527 B9R1.23 CC1=C(SC(=C1)CN)C Z1258578420 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.23 CC1=CC(=NN1C)C#N Z1198164901 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.23 CC1=CC(=NN1C)C=O Z1201623008 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.23 CC1=CC(=NN1C)CN Z3243684506 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.23 CCC1=NN(C(=C1)N)C Z385401436 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.23 CCC1=NN(C(=O)C1)C Z50146895 [0,2,0,0,0,0|1,0,1]=4 533 B9R1.23 CN1N=C(C=C1Cl)C=O Z3243520469 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.23 CN1N=C(C=C1N)CO Z1726083922 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.23 CN1N=C(CC1=O)CN Z1992316430 [0,2,0,0,0,0|1,0,1]=4 536 B9R1.23 COC1=NN(C(=C1)N)C Z2792040941 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.37 CC1=C(C(=C(S1)C)Br)Br Z2889976897 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.37 CC1=C(C(=N)N(N1)C)C Z1266823229 [0,2,0,0,0,0|2,0,0]=4 539 B9R1.37 CC1=CC(=O)N(C1=O)C Z390458732 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.37 CC1=NN(C(=C1Br)C)C Z381353824 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.37 CC1=NN(C(=C1Br)N)C Z854056186 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.37 CC1=NN(C(=C1N)C)C Z57980325 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.37 CC1=NN(C(=C1O)C)C Z1255606287 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.37 CC1=NN(C(=O)C1C)C Z727720668 [0,2,0,0,0,0|1,0,1]=4 545 B9R1.37 CC1C(=O)NC(=O)N1C Z993897304 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.37 CN1C(=O)C(=O)N=C1N Z1569709218 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.37 CN1C(=O)NC(=O)C1=O Z56963356 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.37 CN1N=C(N(C1=O)C)N Z1203589982 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.37 CN1NC(=O)N(C1=O)C Z2511803350 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.38 CC1(SC(=O)NC1=O)C Z1262691814 [0,2,0,0,0,0|2,0,0]=4 551 B7R1.3 O=C1C=CC=CN1 Z1245646663 [0,0,1,1,0,0|1,0,1]=4 552 B7R1.3 O=C1C=CC=NN1 Z803153778 [0,0,1,1,0,0|2,0,0]=4 553 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,1,1,0,0|2,0,0]=4 554 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,1,1,0,0|2,0,0]=4 555 B7R1.10 C=C1CC(C1)C=O Z1486007751 [0,0,1,1,0,0|2,0,0]=4 556 B7R1.7 O=C/C=C/C1CC1 Z1318198760 [0,0,1,1,0,0|2,0,0]=4 557 B9R2.3 C1=NN2CCNC2=C1 Z1203731545 [0,1,0,1,0,0|2,0,0]=4