0 B6R0.6 C=C/C=C/CCN Z2786180930 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.6 O=CCCCC=O Z57127529 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|1,0,2]=4 3 B5R0.2 C/C=C/OCC Z281777810 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.2 C=C/C=C/CN Z3270208113 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.2 C=CCNCC Z2044769224 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.2 CCCCC=O Z104472992 [1,0,0,0,0,0|0,0,3]=4 7 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [0,1,0,0,0,0|0,0,0]=1 9 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,1,0,0,0,0|0,0,2]=3 10 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,1,0,0,0,0|2,0,1]=4 11 B7R1.1 CCC1=CC=CO1 Z640169748 [0,0,0,1,0,0|0,0,2]=3 12 B7R1.1 CCC1=CNC=N1 Z1203731354 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.1 CCC1=NC=CN1 Z803154382 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.1 CCC1=NNC=C1 Z1238571110 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.1 CCN1C=CC=N1 Z600618624 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.1 CNC1=NC=CS1 Z336483296 [0,0,0,1,0,0|2,1,0]=4 17 B7R1.1 CNC1=NOC=C1 Z2489381644 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.1 COC1=NNC=C1 Z2130657375 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.1 COC1=NSC=C1 Z1198333966 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.1 CSC1=NC=CN1 Z1203730949 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.1 N#CC1=CC=CS1 Z56946090 [0,0,0,1,0,0|1,1,1]=4 22 B7R1.1 NCC1=CC=CN1 Z976631692 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.1 NCC1=CC=CS1 Z104485908 [0,0,0,1,0,0|1,1,1]=4 24 B7R1.1 O=CC1=CC=CN1 Z104478580 [0,0,0,1,0,0|1,0,0]=2 25 B7R1.1 O=CC1=CC=CO1 Z57161925 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.1 O=CC1=CC=CS1 Z104472120 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,0,0,1,0,0|0,0,2]=3 28 B7R1.1 O=CC1=CCSC1 Z57981092 [0,0,0,1,0,0|1,0,1]=3 29 B7R1.1 O=CC1=CNC=C1 Z1154253206 [0,0,0,1,0,0|1,0,1]=3 30 B7R1.1 O=CC1=CNN=C1 Z275127960 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.1 O=CC1=COC=C1 Z1065630348 [0,0,0,1,0,0|1,0,1]=3 32 B7R1.1 O=CC1=COC=N1 Z1255431640 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.1 O=CC1=CSC=C1 Z57887873 [0,0,0,1,0,0|1,0,1]=3 34 B7R1.1 O=CC1=CSC=N1 Z734052598 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.1 O=CC1=CSN=N1 Z367664148 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.1 O=CC1=NNC=C1 Z234896951 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.1 O=CC1CC=CC1 Z1504676872 [0,0,0,1,0,0|0,0,2]=3 38 B7R1.1 OCC1=CC=CO1 Z104472794 [0,0,0,1,0,0|1,0,2]=4 39 B7R1.1 OCC1=CC=CS1 Z104478586 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.3 BrC1=NC=CC=N1 Z415645012 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.3 BrC1=NC=CN=C1 Z415645016 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.3 BrC1=NN=CC=C1 Z425821176 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.3 CC1=CN=CC=C1 Z104475010 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.3 CC1=CN=NC=C1 Z1255398931 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.3 CC1=NC=CC=C1 Z104472800 [0,0,0,1,0,0|1,0,0]=2 46 B7R1.3 CC1=NC=CN=C1 Z415628164 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.3 CC1=NN=CC=C1 Z1245648324 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.3 C[N+]1=CC=CC=C1 Z57947843 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.3 ClC1=NC=CC=N1 Z104477694 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.3 ClC1=NC=CN=C1 Z104490192 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.3 ClC1=NC=NC=C1 Z1962223597 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.3 ClC1=NN=CC=C1 Z3225948108 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.3 IC1=NC=CN=C1 Z1235940810 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.3 NC1=CC=CC=C1 Z2301541997 [0,0,0,1,0,0|1,0,1]=3 55 B7R1.3 NC1=CC=NC=C1 Z104495272 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.3 NC1=CN=CC=C1 Z104494800 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.3 NC1=NC=CC=C1 Z104472278 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.3 NC1=NC=CC=N1 Z2895177097 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.3 NC1=NC=CN=C1 Z56899063 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.3 NC1=NC=NC=C1 Z3244659415 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.3 NC1=NN=CC=C1 Z991531024 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.3 N[N+]1=CC=CC=C1 Z56872220 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.3 O=C1C=CC=CN1 Z1245646663 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.3 O=C1C=CC=NN1 Z803153778 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,1,0,0|0,0,2]=3 66 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.3 O=C1C=COC=C1 Z586248016 [0,0,0,1,0,0|1,0,1]=3 68 B7R1.3 O=C1C=NC=CN1 Z3225868124 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.3 O=C1N=CC=CN1 Z1201023052 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.3 OC1=CC=CC=C1 Z104473830 [0,0,0,1,0,0|0,0,2]=3 71 B7R1.3 OC1=CN=CC=C1 Z104476790 [0,0,0,1,0,0|1,0,2]=4 72 B7R1.3 OC1=NC=NC=C1 Z314605438 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.3 S=C1C=CNC=N1 Z1258992452 [0,0,0,1,0,0|2,1,0]=4 74 B7R1.3 SC1=NC=CC=C1 Z203045372 [0,0,0,1,0,0|1,1,0]=3 75 B7R1.3 SC1=NC=CC=N1 Z87001196 [0,0,0,1,0,0|2,1,0]=4 76 B7R1.3 SC1=NC=CN=C1 Z239089534 [0,0,0,1,0,0|2,1,0]=4 77 B7R1.4 CC1=C(C=CS1)Br Z1201624904 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.4 CC1=C(C=NN1)Cl Z1507502582 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.4 CC1=C(C=NO1)I Z1269175158 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.4 CC1=C(C=NO1)N Z1465461252 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.4 CC1=C(ON=C1)N Z815305382 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.4 CC1=C(SC=N1)N Z1815155510 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.4 CC1=C(SN=C1)N Z3716437679 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.4 CC1=CC=NN1C Z826535916 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.4 CC1=CNC=C1C Z1198162792 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.4 CC1=CON=C1N Z995041844 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.4 CC1=CSC=C1N Z1492796718 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.4 CC1=NNC=C1N Z600615694 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.4 CC1=NOC=C1N Z2466617876 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.4 CC1=NSC=C1N Z2737427927 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.4 CN1C=CN=C1Br Z959380970 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.4 CN1C=CN=C1N Z2309759326 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.4 CN1C=CN=C1S Z57901905 [0,0,0,1,0,0|2,1,0]=4 94 B7R1.4 CN1C=CNC1=O Z1198329852 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.4 CN1C=COC1=O Z2732441923 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.4 CN1C=NC=C1Cl Z168874650 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.4 CN1C=NNC1=O Z1526503443 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.4 CN1N=CC=C1N Z415654476 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.4 CN1NC=NC1=O Z1582263737 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.4 CN1SC=CC1=O Z3227502095 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.4 C[N+]1=C(SC=C1)N Z56872230 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.4 ClC1=CSC=C1Cl Z1198181374 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.4 NC1=CNNC1=O Z2216303144 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.4 NC1=CSC=C1Br Z2235409323 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.7 O=C/C=C/C1CC1 Z1318198760 [0,0,0,1,0,0|0,0,2]=3 106 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|0,0,2]=4 107 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|0,0,2]=4 108 B6R0.4 C=CCNC(=O)C Z32064466 [1,1,0,0,0,0|1,0,1]=4 109 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|0,0,1]=3 111 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|1,0,0]=3 112 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,2,0,0,0,0|0,0,2]=4 114 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,2,0,0,0,0|1,0,0]=3 115 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,2,0,0,0,0|0,0,2]=4 116 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,2,0,0,0,0|1,0,1]=4 117 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,2,0,0,0,0|0,0,2]=4 118 B6R1.1 C1=CC=CC=C1 Z57120059 [1,0,0,1,0,0|0,0,1]=3 119 B6R1.1 C1=CC=NC=C1 Z56899837 [1,0,0,1,0,0|1,0,0]=3 120 B6R1.2 CC1=CC=CN1 Z594218440 [1,0,0,1,0,0|1,0,0]=3 121 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,1,0,0|0,0,1]=3 122 B6R1.2 CC1=CN=CN1 Z1945707502 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.2 CC1=CN=CO1 Z1198180653 [1,0,0,1,0,0|1,0,1]=4 124 B6R1.2 CC1=CNC=C1 Z1203730789 [1,0,0,1,0,0|1,0,0]=3 125 B6R1.2 CC1=CNN=C1 Z600419582 [1,0,0,1,0,0|2,0,0]=4 126 B6R1.2 CC1=COC=N1 Z1198313432 [1,0,0,1,0,0|2,0,0]=4 127 B6R1.2 CC1=NC=CN1 Z104494990 [1,0,0,1,0,0|2,0,0]=4 128 B6R1.2 CC1=NNC=C1 Z450469310 [1,0,0,1,0,0|2,0,0]=4 129 B6R1.2 CN1C=CC=C1 Z57127895 [1,0,0,1,0,0|1,0,0]=3 130 B6R1.2 CN1C=CC=N1 Z336081430 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.2 CN1C=CN=C1 Z104506032 [1,0,0,1,0,0|2,0,0]=4 132 B6R1.2 NC1=CSC=C1 Z1962138158 [1,0,0,1,0,0|2,0,0]=4 133 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|1,0,1]=4 134 B6R1.2 O=C1C=CNN1 Z1198154338 [1,0,0,1,0,0|2,0,0]=4 135 B6R1.2 O=C1C=CSN1 Z1741980421 [1,0,0,1,0,0|2,0,0]=4 136 B6R1.2 O=C1NC=CN1 Z1198148260 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.2 O=C1NC=CS1 Z445210514 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [0,1,0,1,0,0|1,0,1]=4 140 B8R1.2 CCC1=CC=CC=C1 Z104473632 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.2 CCC1=CN=CC=C1 Z104476778 [0,1,0,1,0,0|1,0,1]=4 143 B8R1.2 CCC1=NC=CC=C1 Z113558650 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.2 CCC1=NC=CC=N1 Z1198725952 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.2 CCC1=NC=NC=C1 Z1198725956 [0,1,0,1,0,0|1,0,1]=4 146 B8R1.2 CCC1=NN=CC=C1 Z1222425026 [0,1,0,1,0,0|1,0,1]=4 147 B8R1.2 CNC1=CC=CC=C1 Z104472478 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.2 CNC1=NC=CC=N1 Z54628578 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.2 CNC1=NC=NC=C1 Z800212728 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.2 CNC1=NN=CC=C1 Z991530894 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.2 COC1=CC=CC=C1 Z53833865 [0,1,0,1,0,0|1,0,0]=3 153 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.2 CSC1=NC=CN=C1 Z1203162104 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [0,1,0,1,0,0|0,1,1]=4 156 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [0,1,0,1,0,0|1,0,1]=4 157 B8R1.2 NCC1=CC=CC=C1 Z54748260 [0,1,0,1,0,0|1,0,0]=3 158 B8R1.2 NCC1=CC=NC=C1 Z104474354 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.2 NCC1=CN=CC=C1 Z104474366 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.2 NCC1=NC=CC=C1 Z104474352 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.2 NCC1=NC=CC=N1 Z1463350843 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.2 NCC1=NC=CN=C1 Z241059702 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.2 NCC1=NC=NC=C1 Z254526552 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.2 NCC1=NN=CC=C1 Z1198165902 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.2 NNC1=CC=CC=C1 Z104472442 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.2 NNC1=NC=CC=C1 Z56887722 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.2 O=CC1=CC=NC=C1 Z57161993 [0,1,0,1,0,0|0,0,1]=3 168 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,1,0,0|0,0,2]=4 169 B8R1.2 O=CC1=CCCOC1 Z979787886 [0,1,0,1,0,0|0,0,2]=4 170 B8R1.2 O=CC1=CCCSC1 Z1255380334 [0,1,0,1,0,0|0,0,2]=4 171 B8R1.2 O=CC1=CCOCC1 Z1511760351 [0,1,0,1,0,0|0,0,2]=4 172 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [0,1,0,1,0,0|0,0,1]=3 173 B8R1.2 O=CC1=CN=CN=C1 Z1013450426 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.2 O=CC1=CN=NC=C1 Z1255435509 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.2 O=CC1=COCCC1 Z432415080 [0,1,0,1,0,0|0,0,2]=4 176 B8R1.2 O=CC1=COCCO1 Z1198154290 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [0,1,0,1,0,0|0,0,1]=3 178 B8R1.2 O=CC1=NC=CN=C1 Z1013412214 [0,1,0,1,0,0|1,0,0]=3 179 B8R1.2 O=CC1=NN=CC=C1 Z1198165301 [0,1,0,1,0,0|1,0,0]=3 180 B8R1.2 O=CC1CC=CCC1 Z57936862 [0,1,0,1,0,0|0,0,2]=4 181 B8R1.2 O=CC1CCC=CO1 Z600389890 [0,1,0,1,0,0|0,0,2]=4 182 B8R1.2 OCC1=CC=CC=C1 Z104476418 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.2 OCC1=CC=NC=C1 Z335244866 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.2 OCC1=CN=CC=C1 Z104495622 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.2 OCC1=NC=CC=C1 Z57921252 [0,1,0,1,0,0|1,0,0]=3 186 B8R1.5 BrC1=C(C=CN=C1)I Z1269120686 [0,1,0,1,0,0|2,0,0]=4 187 B8R1.5 CC1=C(C=CC=C1)C Z212053190 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.5 CC1=C(C=CC=C1)F Z104474026 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.5 CC1=C(C=CC=C1)N Z57127943 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.5 CC1=C(C=CC=C1)O Z104473822 [0,1,0,1,0,0|0,0,1]=3 191 B8R1.5 CC1=C(C=CC=N1)I Z1269190410 [0,1,0,1,0,0|1,0,0]=3 192 B8R1.5 CC1=C(C=CN=C1)Br Z1201621264 [0,1,0,1,0,0|1,0,0]=3 193 B8R1.5 CC1=C(C=CN=N1)N Z1964347676 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.5 CC1=C(C=NC=C1)Br Z1255379175 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.5 CC1=C(C=NC=C1)N Z625801040 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.5 CC1=C(C=NN=C1)N Z1203587249 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.5 CC1=C(N=CC=C1)Br Z968908232 [0,1,0,1,0,0|1,0,0]=3 198 B8R1.5 CC1=C(N=CC=C1)C Z104472816 [0,1,0,1,0,0|1,0,0]=3 199 B8R1.5 CC1=C(N=CC=C1)N Z203045034 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.5 CC1=C(N=CC=C1)S Z968907338 [0,1,0,1,0,0|0,1,0]=3 201 B8R1.5 CC1=C(N=CC=N1)Br Z1198181977 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.5 CC1=C(N=CC=N1)C Z448248230 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.5 CC1=C(N=CC=N1)Cl Z1198147877 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.5 CC1=C(N=CC=N1)F Z1551948468 [0,1,0,1,0,0|2,0,0]=4 205 B8R1.5 CC1=C(N=CC=N1)N Z3068686273 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.5 CC1=C(N=CC=N1)O Z1198157257 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.5 CC1=C(N=CN=C1)C Z2760929781 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.5 CC1=C(N=CN=C1)Cl Z1198176691 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.5 CC1=C(N=NC=C1)Cl Z1198179855 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.5 CC1=CC=CNC1=O Z1013766914 [0,1,0,1,0,0|0,0,0]=2 211 B8R1.5 CC1=CC=NNC1=O Z3227035121 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.5 CC1=CNC=CC1=N Z1263529539 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.5 CC1=[N+](C=CC=C1)C Z56791140 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.5 CC1=[N+](C=CC=C1)N Z57931449 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.5 CN1C=CC=CC1=S Z56928900 [0,1,0,1,0,0|0,1,0]=3 216 B8R1.5 CN1C=CC=NC1=O Z1198218328 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.5 C[N+]1=C(C=CC=C1)Br Z56756330 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.5 C[N+]1=C(C=CC=C1)Cl Z104501460 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.5 C[N+]1=C(C=CC=C1)N Z56872249 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.5 ClC1=C(C=CC=C1)Cl Z104473644 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.5 ClC1=C(C=CC=N1)Br Z808600354 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.5 ClC1=C(C=NC=C1)Cl Z1575308475 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.5 ClC1=C(N=CC=C1)Br Z415645050 [0,1,0,1,0,0|2,0,0]=4 224 B8R1.5 ClC1=C(N=CC=C1)Cl Z164708870 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.5 FC1=C(C=CC=C1)Br Z756953644 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.5 FC1=C(C=CC=C1)F Z104473256 [0,1,0,1,0,0|1,0,1]=4 227 B8R1.5 FC1=C(C=CC=N1)I Z1238548161 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.5 FC1=C(C=CN=C1)I Z1269153298 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.5 FC1=C(N=CC=C1)Br Z997724396 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.5 FC1=C(N=CC=C1)Cl Z850328566 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.5 NC1=C(C=CC=C1)Br Z104472512 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.5 NC1=C(C=CC=C1)F Z104474198 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.5 NC1=C(C=CC=C1)I Z104472778 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.5 NC1=C(C=CC=C1)N Z104472742 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.5 NC1=C(C=CC=C1)O Z57127952 [0,1,0,1,0,0|0,0,2]=4 236 B8R1.5 NC1=C(C=CC=N1)I Z363805876 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.5 NC1=C(C=CC=N1)O Z104495292 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.5 NC1=C(C=CN=C1)Cl Z1198095644 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.5 NC1=C(C=CN=C1)O Z370653926 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.5 NC1=C(C=NC=C1)Cl Z56914824 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.5 NC1=C(C=NC=C1)N Z385438794 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.5 NC1=C(C=NC=C1)O Z1664348606 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.5 NC1=C(N=CC=C1)Cl Z104475710 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.5 NC1=C(N=CC=C1)N Z385438806 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.5 NC1=C(N=CC=C1)O Z969560564 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.5 NC1=C(N=CC=C1)S Z411993618 [0,1,0,1,0,0|1,1,0]=4 247 B8R1.5 NC1=CC=NNC1=O Z3034935799 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.5 NC1=CNC=NC1=O Z2213893347 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.5 NC1=NC=CNC1=O Z3225902419 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.5 NC1=[N+](C=CC=C1)N Z56872234 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.5 O=C1C=CC=CN1O Z1198152560 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.5 O=C1C=COC=C1O Z1198235068 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.5 O=C1COC=CC1=S Z1513610972 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.5 O=C1NC=CC=C1I Z1269208652 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.5 O=C1NC=CC=C1O Z104495360 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.5 O=C1NC=NC=C1Br Z1416282441 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.5 O=C1NC=NC=C1F Z2235386850 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.5 O=C1OC=CC=C1O Z1198156687 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.5 OC1=C(C=CC=C1)Br Z56347198 [0,1,0,1,0,0|0,0,2]=4 260 B8R1.5 OC1=C(C=CC=C1)Cl Z104473270 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.5 OC1=C(C=CC=C1)I Z384970702 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.5 OC1=C(C=CC=C1)O Z104473810 [0,1,0,1,0,0|0,0,2]=4 263 B8R1.5 OC1=C(C=CC=N1)F Z850327726 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.5 OC1=C(N=CC=C1)F Z1198164106 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.5 SC1=C(C=CC=N1)Br Z808603100 [0,1,0,1,0,0|1,1,0]=4 266 B8R1.5 SC1=C(C=CC=N1)Cl Z220567008 [0,1,0,1,0,0|1,1,0]=4 267 B8R1.5 [O-][N+]1=C(C=CC=C1)[S-] Z90667629 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.8 CNCC1=CC=CN1 Z102767010 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.8 CNCC1=CC=CO1 Z57051072 [0,1,0,1,0,0|0,0,2]=4 270 B8R1.8 CNCC1=CC=CS1 Z56948283 [0,1,0,1,0,0|0,1,1]=4 271 B8R1.8 NCCC1=CC=CN1 Z810507730 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.8 NCCC1=CC=CO1 Z1694636467 [0,1,0,1,0,0|0,0,2]=4 273 B8R1.8 NCCC1=CC=CS1 Z90662945 [0,1,0,1,0,0|0,1,1]=4 274 B8R1.8 O/N=C/C1=CC=CS1 Z49568302 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.8 O=CCC1=CC=CO1 Z1179944709 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.8 O=CCC1=CC=CS1 Z993017816 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.8 O=CCC1=CSC=C1 Z1079442684 [0,1,0,1,0,0|0,0,2]=4 278 B8R1.8 OCCC1=CC=CO1 Z1179944660 [0,1,0,1,0,0|0,0,2]=4 279 B8R1.8 OCCC1=CC=CS1 Z397587354 [0,1,0,1,0,0|0,1,1]=4 280 B8R1.11 CC1=C(C=CO1)C#N Z1079178988 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.11 CC1=C(C=CO1)C=O Z1079442526 [0,1,0,1,0,0|0,0,0]=2 282 B8R1.11 CC1=C(C=CO1)CN Z803145352 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.11 CC1=C(C=CO1)CO Z397587324 [0,1,0,1,0,0|0,0,2]=4 284 B8R1.11 CC1=C(C=CS1)C=O Z1255365611 [0,1,0,1,0,0|0,0,0]=2 285 B8R1.11 CC1=C(C=CS1)CN Z3034293414 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.11 CC1=C(C=NO1)C=O Z826536276 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.11 CC1=C(C=NS1)C=O Z1198279981 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.11 CC1=C(N=CO1)C=O Z1198279989 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.11 CC1=C(N=CS1)C=O Z1198279987 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.11 CC1=C(NC=N1)C=O Z2686040987 [0,1,0,1,0,0|1,0,0]=3 291 B8R1.11 CC1=C(OC=C1)C=O Z1079442566 [0,1,0,1,0,0|0,0,0]=2 292 B8R1.11 CC1=C(OC=C1)CN Z291234200 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.11 CC1=C(OC=N1)C=O Z1198279990 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.11 CC1=C(ON=C1)C=O Z1198279978 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.11 CC1=C(SC=C1)C#N Z381355194 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.11 CC1=C(SC=C1)C=O Z104477012 [0,1,0,1,0,0|0,0,0]=2 297 B8R1.11 CC1=C(SC=C1)CN Z235352157 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.11 CC1=C(SC=N1)C=O Z1079442366 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.11 CC1=C(SN=C1)C=O Z1198269531 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.11 CC1=CNC=C1C#N Z1203732959 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.11 CC1=CNC=C1C=O Z1203832675 [0,1,0,1,0,0|0,0,0]=2 302 B8R1.11 CC1=CNN=C1C=O Z2418414008 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.11 CC1=COC=C1CN Z5616265876 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.11 CC1=CON=C1C=O Z1198279956 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.11 CC1=CSC=C1C#N Z1255398661 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.11 CC1=CSC=C1C=O Z1201623037 [0,1,0,1,0,0|0,0,0]=2 307 B8R1.11 CC1=CSC=C1CN Z1345189827 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.11 CC1=CSN=C1C=O Z1198279979 [0,1,0,1,0,0|1,0,0]=3 309 B8R1.11 CC1=NNC=C1C=O Z319610836 [0,1,0,1,0,0|1,0,0]=3 310 B8R1.11 CC1=NOC=C1C=O Z1198279977 [0,1,0,1,0,0|1,0,0]=3 311 B8R1.11 CC1=NSC=C1C=O Z1198279895 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.11 CCC1=CSC=C1N Z4935394961 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.11 CCN1C=CNC1=O Z1198329853 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.11 CN1C=CC=C1C#N Z56766658 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.11 CN1C=CC=C1C=O Z104485562 [0,1,0,1,0,0|0,0,0]=2 316 B8R1.11 CN1C=CC=C1CN Z362827744 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.11 CN1C=CN=C1C=O Z363989438 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.11 CN1C=NC=C1C=O Z1065768466 [0,1,0,1,0,0|1,0,0]=3 319 B8R1.11 CN1N=CC=C1C=O Z325191230 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.11 NCC1=C(C=CS1)Cl Z3244521023 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.11 NCC1=C(SC=C1)Cl Z4459561724 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.11 NCC1=C(SC=C1)I Z4912253513 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.11 O=CC1=C(C=CN1)Br Z1255436029 [0,1,0,1,0,0|1,0,0]=3 324 B8R1.11 O=CC1=C(C=CO1)Br Z1183458973 [0,1,0,1,0,0|1,0,0]=3 325 B8R1.11 O=CC1=C(C=CO1)F Z1416198484 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.11 O=CC1=C(C=CS1)Br Z1157754111 [0,1,0,1,0,0|1,0,0]=3 327 B8R1.11 O=CC1=C(C=CS1)Cl Z1198158625 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.11 O=CC1=C(C=CS1)I Z1269213460 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.11 O=CC1=C(N=CS1)Cl Z1198233922 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.11 O=CC1=C(OC=C1)Br Z1255361306 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.11 O=CC1=C(SC=C1)Br Z1198182415 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.11 O=CC1=C(SC=C1)Cl Z1198181306 [0,1,0,1,0,0|1,0,0]=3 333 B8R1.11 O=CC1=CNC=C1Br Z1262592887 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.11 O=CC1=COC=C1Br Z1511770248 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.11 O=CC1=CSC=C1Br Z1201620977 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.11 O=CC1=CSC=C1Cl Z1198165119 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.11 O=CC1=CSC=C1F Z1255505986 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.1 CC1=CC(=CS1)C=O Z1198175165 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.1 CC1=CC(=NO1)C=O Z1162446008 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.1 CC1=CC=C(N1)C=O Z1198176668 [0,1,0,1,0,0|0,0,0]=2 341 B8R1.1 CC1=CC=C(O1)C#N Z56963430 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.1 CC1=CC=C(O1)C=O Z56899216 [0,1,0,1,0,0|0,0,0]=2 343 B8R1.1 CC1=CC=C(O1)CO Z335244864 [0,1,0,1,0,0|0,0,2]=4 344 B8R1.1 CC1=CC=C(S1)C#N Z336080058 [0,1,0,1,0,0|1,0,1]=4 345 B8R1.1 CC1=CC=C(S1)C=O Z104478048 [0,1,0,1,0,0|0,0,0]=2 346 B8R1.1 CC1=CC=C(S1)CO Z381678056 [0,1,0,1,0,0|0,0,2]=4 347 B8R1.1 CC1=CN=C(O1)C=O Z1198163538 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.1 CC1=CN=C(S1)C=O Z1037606518 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.1 CC1=CNC(=N1)C=O Z1198166211 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.1 CC1=COC(=C1)C=O Z1255374618 [0,1,0,1,0,0|1,0,0]=3 351 B8R1.1 CC1=COC(=N1)C=O Z1198279988 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.1 CC1=CSC(=C1)C=O Z1255423820 [0,1,0,1,0,0|1,0,0]=3 353 B8R1.1 CC1=CSC(=N1)C=O Z1037606426 [0,1,0,1,0,0|1,0,0]=3 354 B8R1.1 CC1=NC(=CN1)C=O Z1013690328 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.1 CC1=NC(=CO1)C=O Z1162445877 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.1 CC1=NC(=CS1)C=O Z90662164 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.1 CC1=NC=C(O1)C=O Z1198169811 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.1 CC1=NC=C(S1)C=O Z425450926 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.1 CC1=NNC(=C1)C=O Z275128658 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.1 CC1=NOC(=C1)C=O Z1079442828 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.1 CC1=NSC(=C1)C=O Z1079104480 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.1 CCC1=CC(=CS1)Br Z1255374735 [0,1,0,1,0,0|0,1,1]=4 363 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.1 CCC1=CSC(=O)N1 Z916925862 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.1 CN1C=C(C=N1)C=O Z99601138 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.1 CN1C=CC(=C1)C=O Z1198160553 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.1 CN1C=CC(=N1)C=O Z1065726004 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.1 CN1C=NC(=C1)C=O Z1201622215 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.1 O=CC1=CC(=CN1)I Z1183442838 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.1 O=CC1=CC(=CO1)Br Z898215000 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.1 O=CC1=CC(=CS1)Br Z104487482 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.1 O=CC1=CC(=CS1)Cl Z1198313989 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.1 O=CC1=CC(=CS1)I Z1269222755 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.1 O=CC1=CC=C(O1)Br Z57041993 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.1 O=CC1=CC=C(O1)Cl Z57834244 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.1 O=CC1=CC=C(O1)I Z57313911 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.1 O=CC1=CC=C(S1)Br Z55928862 [0,1,0,1,0,0|1,0,0]=3 378 B8R1.1 O=CC1=CC=C(S1)Cl Z220630970 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.1 O=CC1=CC=C(S1)F Z1198317148 [0,1,0,1,0,0|1,0,0]=3 380 B8R1.1 O=CC1=CC=C(S1)I Z1269210626 [0,1,0,1,0,0|1,0,0]=3 381 B8R1.1 O=CC1=CN=C(S1)Cl Z1201621106 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.1 O=CC1=CNC(=C1)Br Z1255492158 [0,1,0,1,0,0|1,0,1]=4 383 B8R1.1 O=CC1=CSC(=C1)Br Z255102440 [0,1,0,1,0,0|1,0,1]=4 384 B8R1.1 O=CC1=CSC(=C1)Cl Z1255367581 [0,1,0,1,0,0|1,0,1]=4 385 B8R1.1 O=CC1=CSC(=N1)Cl Z1201625112 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.1 O=CC1=NC(=CS1)Cl Z1216838518 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.1 O=CC1=NC=C(S1)Cl Z1201624665 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.3 BrC1=CC=C(C=C1)Br Z104474572 [0,1,0,1,0,0|1,0,1]=4 389 B8R1.3 BrC1=CC=C(C=C1)I Z299596184 [0,1,0,1,0,0|1,0,1]=4 390 B8R1.3 BrC1=CN=C(C=C1)I Z1269172302 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.3 CC1=CC=C(C=C1)C Z199056432 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.3 CC1=CC=C(C=C1)Cl Z56924546 [0,1,0,1,0,0|1,0,0]=3 393 B8R1.3 CC1=CC=C(C=C1)F Z104473648 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.3 CC1=CC=C(C=C1)N Z57127875 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.3 CC1=CC=C(C=C1)O Z104473818 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.3 CC1=CN=C(C=C1)Br Z415645054 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.3 CC1=CN=C(C=C1)N Z104475374 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.3 CC1=CN=C(C=C1)O Z1255523405 [0,1,0,1,0,0|1,0,1]=4 399 B8R1.3 CC1=CN=C(C=C1)S Z271138132 [0,1,0,1,0,0|1,1,0]=4 400 B8R1.3 CC1=CNC(=O)N=C1 Z1098236277 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.3 CC1=NC=C(C=C1)N Z425834586 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.3 CC1=NC=C(C=C1)O Z838078132 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.3 CC1=NC=C(N=C1)Br Z1198181968 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.3 CC1=NC=C(N=C1)Cl Z1198149378 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.3 CC1=NC=C(N=C1)N Z1198177429 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.3 CC1=NN=C(C=C1)Br Z802822146 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.3 CC1=NN=C(C=C1)Cl Z432063474 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.3 CC1=NN=C(C=C1)F Z1251352426 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.3 CC1=NN=C(C=C1)I Z1209436744 [0,1,0,1,0,0|2,0,0]=4 410 B8R1.3 CC1=NNC(=O)C=C1 Z1201023044 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.3 ClC1=CC=C(C=C1)Cl Z104476304 [0,1,0,1,0,0|1,0,1]=4 412 B8R1.3 ClC1=CN=C(C=C1)Br Z415645024 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.3 ClC1=NC=C(C=C1)Br Z239604476 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.3 FC1=CN=C(C=C1)Cl Z1238544557 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.3 FC1=NC=C(C=C1)Br Z977035742 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.3 NC1=CC=C(C=C1)Cl Z104472774 [0,1,0,1,0,0|1,0,1]=4 417 B8R1.3 NC1=CC=C(C=C1)F Z57127563 [0,1,0,1,0,0|1,0,1]=4 418 B8R1.3 NC1=CC=C(C=C1)I Z57127369 [0,1,0,1,0,0|1,0,1]=4 419 B8R1.3 NC1=CC=C(C=C1)N Z104472524 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.3 NC1=CC=C(C=C1)O Z57127517 [0,1,0,1,0,0|0,0,2]=4 421 B8R1.3 NC1=CN=C(C=C1)Cl Z335436282 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.3 NC1=CN=C(C=C1)I Z56788762 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.3 NC1=CN=C(C=C1)N Z385438796 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.3 NC1=CN=C(C=C1)O Z385458150 [0,1,0,1,0,0|1,0,1]=4 425 B8R1.3 NC1=NC=C(C=C1)Br Z57073814 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.3 NC1=NC=C(C=C1)Cl Z104475596 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.3 NC1=NC=C(C=C1)F Z223120142 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.3 NC1=NNC(=O)C=C1 Z1723418911 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.3 O=C1C=CC(=CN1)Br Z271004874 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.3 O=C1C=CC(=O)C=C1 Z104474802 [0,1,0,1,0,0|0,0,1]=3 431 B8R1.3 O=C1C=CC(=O)NN1 Z57032544 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.3 O=C1N=CC(=CN1)I Z2471547918 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.3 OC1=CC=C(C=C1)Br Z57127362 [0,1,0,1,0,0|0,0,2]=4 434 B8R1.3 OC1=CC=C(C=C1)Cl Z104473434 [0,1,0,1,0,0|0,0,2]=4 435 B8R1.3 OC1=CC=C(C=C1)I Z104496300 [0,1,0,1,0,0|0,0,2]=4 436 B8R1.3 OC1=CC=C(C=C1)O Z57127551 [0,1,0,1,0,0|0,0,2]=4 437 B8R1.3 OC1=CN=C(C=C1)Br Z1201622821 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.3 OC1=CN=C(C=C1)I Z1269183606 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.3 OC1=CN=C(C=C1)O Z1198152559 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.3 OC1=NC=C(C=C1)Cl Z2235409237 [0,1,0,1,0,0|1,0,1]=4 441 B8R1.3 OC1=NC=C(C=C1)F Z594267896 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.3 OC1=NC=C(C=C1)I Z1269227573 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.3 SC1=CC=C(C=C1)Cl Z57834219 [0,1,0,1,0,0|0,1,1]=4 444 B8R1.3 SC1=NC=C(C=C1)Cl Z271138142 [0,1,0,1,0,0|1,1,0]=4 445 B8R1.50 CC1=C(C(=O)NN1)C Z1198151644 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.50 CC1=C(SC=C1Br)Br Z1269129060 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.50 CC1=CNC(=C1C)C Z1162450215 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.50 CN1C(=O)C=CC1=O Z203053858 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.4 BrC1=CC(=CC=C1)I Z381540820 [0,1,0,1,0,0|1,0,1]=4 450 B8R1.4 CC1=CC(=CC=C1)F Z104474044 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.4 CC1=CC(=CC=C1)N Z57127904 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.4 CC1=CC(=CC=C1)O Z104473820 [0,1,0,1,0,0|0,0,1]=3 453 B8R1.4 CC1=CC(=CN=C1)Br Z1255461727 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.4 CC1=CC(=NC=C1)Br Z851792570 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.4 CC1=CC(=NC=C1)N Z203045032 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.4 CC1=CC(=NC=C1)S Z851791760 [0,1,0,1,0,0|1,1,0]=4 457 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,1,0,0|0,0,2]=4 458 B8R1.4 CC1=CC(=O)NC=C1 Z1065655286 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.4 CC1=CC=CC(=C1)C Z199056430 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.4 CC1=CC=CC(=N1)C Z104472820 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [0,1,0,1,0,0|0,0,0]=2 462 B8R1.4 CC1=NC(=CC=C1)Br Z600403652 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.4 CC1=NC(=CC=C1)N Z104476000 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.4 CC1=NC(=CC=N1)Br Z1013760006 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.4 CC1=NC(=CC=N1)Cl Z445153084 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.4 CC1=NC(=CN=C1)Br Z1255361267 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.4 CC1=NC(=CN=C1)Cl Z1162448376 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.4 CC1=NC(=CN=C1)F Z1862003526 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.4 CC1=NC(=CN=C1)N Z1203578408 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.4 CC1=NC(=N)C=CN1 Z2092177023 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.4 CC1=NC(=NC=C1)Br Z1065587482 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.4 CC1=NC(=NC=C1)Cl Z1065586248 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.4 CC1=NC(=NC=C1)N Z104500640 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.4 CC1=NC(=O)C=CN1 Z1269638492 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.4 CC1=NC(=O)NC=C1 Z1065584884 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.4 CC1=NC=CC(=C1)[S-] Z3014227847 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.4 CC1=NC=NC(=C1)Br Z787349642 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.4 CC1=NC=NC(=C1)Cl Z787326738 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.4 CC1=NC=NC(=C1)N Z787349196 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.4 CC1=NC=NC(=C1)O Z314661966 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.4 CC1=NN=CC(=C1)N Z2462827969 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,1,0,0|0,0,2]=4 483 B8R1.4 ClC1=CC(=CC=C1)I Z381540752 [0,1,0,1,0,0|1,0,1]=4 484 B8R1.4 ClC1=NC=CC(=C1)Br Z1255461858 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.4 NC1=CC(=CC=C1)Br Z104472516 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.4 NC1=CC(=CC=C1)I Z104477944 [0,1,0,1,0,0|1,0,1]=4 487 B8R1.4 NC1=CC(=CC=C1)O Z104473438 [0,1,0,1,0,0|0,0,2]=4 488 B8R1.4 NC1=CC(=NC=C1)Cl Z217306542 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.4 NC1=CC(=NC=C1)N Z851810344 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.4 NC1=CC(=NC=C1)O Z851811376 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,1,0,1,0,0|0,0,2]=4 492 B8R1.4 NC1=CC(=O)NC=N1 Z800191892 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.4 NC1=CC(=O)NN=C1 Z1198330189 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.4 NC1=CC=CC(=N1)N Z104495224 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.4 NC1=CN=CC(=O)N1 Z2756879989 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.4 NC1=NC(=CC=C1)Br Z425864750 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.4 NC1=NC=CC(=C1)F Z2513334082 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.4 NC1=NC=CC(=C1)O Z1198164201 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.4 NC1=NC=CC(=O)N1 Z801295650 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.4 O=C1C=C(C=NN1)O Z1198169122 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.4 O=C1C=CN=C(N1)S Z56771015 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.4 O=C1C=CNC(=O)N1 Z56889474 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.4 O=C1C=COC(=C1)O Z1198306031 [0,1,0,1,0,0|1,0,1]=4 504 B8R1.4 OC1=CC(=CC=C1)Br Z104473834 [0,1,0,1,0,0|0,0,2]=4 505 B8R1.4 OC1=CC(=CC=C1)Cl Z104473668 [0,1,0,1,0,0|0,0,2]=4 506 B8R1.4 OC1=CC(=CC=C1)I Z104485566 [0,1,0,1,0,0|0,0,2]=4 507 B8R1.4 OC1=CC(=NC=C1)O Z3225946514 [0,1,0,1,0,0|1,0,1]=4 508 B8R1.4 OC1=CC=CC(=C1)O Z104474576 [0,1,0,1,0,0|0,0,2]=4 509 B8R1.7 CC(=O)C1=CC=CN1 Z56899162 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.7 CC(=O)C1=CC=CS1 Z57127896 [0,1,0,1,0,0|0,1,0]=3 511 B8R1.7 CC(=O)C1=CN=CO1 Z1255430875 [0,1,0,1,0,0|1,0,1]=4 512 B8R1.7 CC(=O)C1=CNC=C1 Z1154253452 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.7 CC(=O)C1=CNC=N1 Z1198183596 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.7 CC(=O)C1=COC=C1 Z1137167495 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.7 CC(=O)C1=COC=N1 Z1255437997 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.7 CC(=O)C1=CSC=C1 Z513734012 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.7 CC(=O)C1=CSC=N1 Z1198162939 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.7 CC(=O)C1=NC=CN1 Z2768175711 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.7 CC(=O)C1=NC=CO1 Z1198173545 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.7 CC(=O)C1=NC=CS1 Z1069877574 [0,1,0,1,0,0|1,1,0]=4 521 B8R1.7 CC(=O)C1=NNC=C1 Z1201023059 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.7 CC(=O)C1=NSC=C1 Z1513630804 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.7 CC(C)C1=CC=CS1 Z1198727220 [0,1,0,1,0,0|0,1,1]=4 524 B8R1.7 CC(N)C1=CC=CN1 Z1198171808 [0,1,0,1,0,0|1,0,1]=4 525 B8R1.7 CC(N)C1=CC=CO1 Z89283368 [0,1,0,1,0,0|0,0,2]=4 526 B8R1.7 CC(N)C1=CC=CS1 Z119974474 [0,1,0,1,0,0|0,1,1]=4 527 B8R1.7 CC(O)C1=CC=CS1 Z335245078 [0,1,0,1,0,0|0,1,1]=4 528 B8R1.7 C[C@H](N)C1=CC=CO1 Z1407007556 [0,1,0,1,0,0|0,0,2]=4 529 B8R1.7 N=C(N)C1=CC=CN1 Z4929337487 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.7 N=C(N)C1=CC=CO1 Z823287458 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.7 N=C(N)C1=CC=CS1 Z381357622 [0,1,0,1,0,0|1,1,0]=4 532 B8R1.7 NC(=O)C1=CC=CN1 Z135897752 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.7 NC(=O)C1=CC=CO1 Z33546471 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.7 NC(=O)C1=CC=CS1 Z33546758 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.7 NC(=O)C1=CC=NN1 Z1095213382 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.7 NC(=O)C1=CC=NS1 Z1203579779 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.7 NC(=O)C1=CN=CO1 Z1198164353 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.7 NC(=O)C1=CN=CS1 Z741560256 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.7 NC(=O)C1=CNC=C1 Z1167406084 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.7 NC(=O)C1=CNC=N1 Z1147451838 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.7 NC(=O)C1=COC=C1 Z168362720 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.7 NC(=O)C1=COC=N1 Z1127744342 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.7 NC(=O)C1=CSC=C1 Z82670330 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.7 NC(=O)C1=NC=CN1 Z1198218632 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.7 NC(=O)C1=NC=CS1 Z1198177216 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.7 NC(=O)C1=NOC=C1 Z875021158 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.7 NC(=S)C1=CC=CO1 Z235345623 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.7 NC(=S)C1=CC=CS1 Z56951809 [0,1,0,1,0,0|1,1,0]=4 549 B8R1.7 O=C(Cl)C1=CC=CS1 Z168827498 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.7 O=C(O)C1=CC=CO1 Z104473462 [0,1,0,1,0,0|1,0,0]=3 552 B8R1.7 O=C(O)C1=CC=NO1 Z56943419 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.7 O=C(O)C1=CC=NS1 Z1079264356 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,1,0,1,0,0|0,0,2]=4 555 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.7 O=C(O)C1=CN=CO1 Z204020264 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.7 O=C(O)C1=CN=CS1 Z204146918 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.7 O=C(O)C1=CNC=C1 Z1154253207 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.7 O=C(O)C1=COC=C1 Z164706016 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.7 O=C(O)C1=COC=N1 Z1095349994 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [0,1,0,1,0,0|1,0,1]=4 563 B8R1.7 O=C(O)C1=CSC=N1 Z800222638 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.7 O=C(O)C1=NNC=C1 Z381357668 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.7 O=C(O)C1=NOC=C1 Z147642256 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.7 O=C(O)C1=NSC=C1 Z1198233153 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,1,0,1,0,0|0,0,2]=4 568 B8R1.7 O=C([O-])C1=NC=CO1 Z2689946948 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.7 O=S([O-])C1=CC=CS1 Z1398461604 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,1,0,1,0,0|0,0,2]=4 571 B8R1.18 CC1=CC(=C(S1)Br)C Z1255397918 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.18 CC1=CC(=C(S1)C)Br Z1198655269 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.18 CC1=CC(=C(S1)C)I Z1347205942 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.18 CC1=CC(=C(S1)C)N Z3013884071 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.18 CN1C=C(C=C1N)Br Z4121492788 [0,1,0,1,0,0|2,0,0]=4 577 B8R2.5 O=C1N[C@H]2[C@@H]1C=C2 Z3678520407 [0,0,0,2,0,0|1,0,1]=4