0 B7R1.1 C#CC1=NNC=C1 Z1868316810 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 CCC1=CC=CO1 Z640169748 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.1 CCC1=CNC=N1 Z1203731354 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 CCC1=CNN=C1 Z1139192482 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.1 CCC1=NN=CN1 Z2065464313 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 CCC1=NN=NN1 Z335291070 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 CCC1=NNC=C1 Z1238571110 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 CCN1C=CN=C1 Z286789018 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CCN1C=CN=N1 Z4497103939 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 CNC1=CNN=C1 Z1313483441 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.1 CNC1=CNN=N1 Z5069198351 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 COC1=CNN=C1 Z2525138345 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.1 COC1=NNC=C1 Z2130657375 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 N#CC1=CC=NN1 Z1082448654 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.1 N#CC1=CN=CS1 Z1160900223 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.1 N#CC1=CNC=C1 Z1198155834 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.1 N#CC1=CNN=C1 Z1082448648 [0,0,0,0,0,0|1,0,1]=2 17 B7R1.1 N#CC1=COC=C1 Z1079178908 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.1 N#CC1=CSC=C1 Z57900046 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 N#CC1=CSN=C1 Z1216812452 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.1 N#CN1C=CN=C1 Z1255365116 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 NCC1=CC=CN1 Z976631692 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.1 NCC1=CC=CS1 Z104485908 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 NCC1=CC=NO1 Z1964347782 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.1 NCC1=CC=NS1 Z2310716170 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.1 NCC1=CN=CN1 Z1250100778 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 NCC1=CNC=C1 Z1203586194 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.1 NCC1=CNN=C1 Z1198394221 [0,0,0,0,0,0|1,0,0]=1 28 B7R1.1 NCC1=CNN=N1 Z2768172060 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.1 NCC1=COC=C1 Z406680098 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 NCC1=CSN=C1 Z2310727787 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.1 NCC1=NC=NO1 Z2310727797 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.1 NCC1=NN=CO1 Z104505014 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.1 NCC1=NN=CS1 Z2738360224 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.1 NCC1=NN=NN1 Z1172068153 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.1 NCC1=NOC=C1 Z802903300 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.1 NCC1=NON=C1 Z2944173400 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.1 O=CC1=CNC=C1 Z1154253206 [0,0,0,0,0,0|1,0,2]=3 38 B7R1.1 O=CC1=CNN=C1 Z275127960 [0,0,0,0,0,0|0,0,2]=2 39 B7R1.1 O=CC1=COC=C1 Z1065630348 [0,0,0,0,0,0|2,0,2]=4 40 B7R1.1 O=CC1=CSC=C1 Z57887873 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.1 O=CC1=CSN=N1 Z367664148 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.1 O=CC1=NNC=C1 Z234896951 [0,0,0,0,0,0|2,0,2]=4 43 B7R1.1 OCC1=CC=CO1 Z104472794 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.1 OCC1=CC=CS1 Z104478586 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.1 OCC1=CNC=N1 Z234898057 [0,0,0,0,0,0|2,0,0]=2 46 B7R1.1 OCC1=CNN=C1 Z812520032 [0,0,0,0,0,0|0,0,0]=0 47 B7R1.1 OCC1=COC=C1 Z397587426 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.1 OCC1=CSN=N1 Z234897281 [0,0,0,0,0,0|2,0,0]=2 49 B7R1.1 OCC1=NC=CN1 Z825761068 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.1 OCC1=NC=CS1 Z57161013 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.1 OCC1=NN=CN1 Z2574360328 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.1 OCC1=NN=NN1 Z1000189 [0,0,0,0,0,0|2,0,1]=3 53 B7R1.1 OCC1=NOC=C1 Z875021162 [0,0,0,0,0,0|3,0,0]=3 54 B7R1.1 OCC1CCNC1 Z976722188 [0,0,0,0,0,0|1,0,3]=4 55 B7R1.1 OCN1C=CC=N1 Z1198155714 [0,0,0,0,0,0|4,0,0]=4 56 B7R1.1 OCN1C=NC=N1 Z57071658 [0,0,0,0,0,0|3,0,0]=3 57 B6R1.2 BrC1=CNC=N1 Z1213725191 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 CC1=CC=CN1 Z594218440 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 CC1=CCNC1 Z1203734447 [1,0,0,0,0,0|1,0,1]=3 61 B6R1.2 CC1=CN=CN1 Z1945707502 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 CC1=CN=CO1 Z1198180653 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.2 CC1=CNC=C1 Z1203730789 [1,0,0,0,0,0|1,0,0]=2 64 B6R1.2 CC1=CNN=C1 Z600419582 [1,0,0,0,0,0|0,0,0]=1 65 B6R1.2 CC1=CNN=N1 Z1255358215 [1,0,0,0,0,0|1,0,0]=2 66 B6R1.2 CC1=COC=N1 Z1198313432 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 CC1=NNC=C1 Z450469310 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 CC1=NNC=N1 Z939944658 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 CN1C=CC=C1 Z57127895 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 CN1C=CN=C1 Z104506032 [1,0,0,0,0,0|2,0,0]=3 71 B6R1.2 CN1C=CN=N1 Z1198221873 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 CN1C=NC=N1 Z237493308 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 CN1C=NN=C1 Z2216303087 [1,0,0,0,0,0|1,0,1]=3 74 B6R1.2 CN1C=NN=N1 Z1198150919 [1,0,0,0,0,0|2,0,1]=4 75 B6R1.2 ClC1=CNN=C1 Z275169786 [1,0,0,0,0,0|1,0,0]=2 76 B6R1.2 ClC1=NNC=C1 Z1255493581 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 IC1=CNN=C1 Z1203162050 [1,0,0,0,0,0|1,0,0]=2 78 B6R1.2 NC1=CC=NO1 Z415654518 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 NC1=CC=NS1 Z2568737642 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 NC1=CN=NS1 Z1116303505 [1,0,0,0,0,0|2,0,1]=4 81 B6R1.2 NC1=CNC=N1 Z3241270014 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 NC1=CNN=N1 Z1964347651 [1,0,0,0,0,0|2,0,0]=3 83 B6R1.2 NC1=CSC=C1 Z1962138158 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 NC1=CSN=C1 Z2467685283 [1,0,0,0,0,0|2,0,0]=3 85 B6R1.2 NC1=CSN=N1 Z1868316819 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 NC1=NNC=C1 Z240126818 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 NC1=NON=C1 Z1203638167 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 NC1=NSN=C1 Z2065788230 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 O=C1C=CNN1 Z1198154338 [1,0,0,0,0,0|2,0,1]=4 90 B6R1.2 OC1=NN=CS1 Z1238571564 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 OC1=NOC=C1 Z1255501207 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 OC1=NSN=C1 Z119989398 [1,0,0,0,0,0|2,0,0]=3 93 B6R1.2 [S-]C1=CN=NS1 Z1198153122 [1,0,0,0,0,0|1,1,1]=4 94 B8R1.1 C#CC1=CN(N=C1)C Z1080385590 [0,1,0,0,0,0|1,0,1]=3 95 B8R1.1 C=CC1=CN(N=C1)C Z1238836268 [0,1,0,0,0,0|1,0,1]=3 96 B8R1.1 CC1=CC=C(O1)CO Z335244864 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 CC1=CC=C(S1)CO Z381678056 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.1 CC1=NC(=NN1)CO Z1431002733 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.1 CC1=NC=C(S1)CO Z608610310 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.1 CC1=NN=C(O1)CO Z431951972 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.1 CC1=NOC(=C1)CCl Z119990894 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.1 CC1=NOC(=C1)CO Z431951966 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.1 CC1=NOC(=N1)CO Z431951984 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.1 CCC1=CC(=NN1)O Z1198163105 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.1 CCC1=CN=C(O1)N Z994289172 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.1 CCC1=CN=C(S1)N Z851799002 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 CCC1=NNC(=C1)N Z360168062 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 CCN1C=NC(=C1)N Z2313530831 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 CN1C=C(C=N1)C#N Z381355294 [0,1,0,0,0,0|1,0,1]=3 111 B8R1.1 CN1C=C(C=N1)C=O Z99601138 [0,1,0,0,0,0|0,0,2]=3 112 B8R1.1 CN1C=C(C=N1)CN Z317041916 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.1 CN1C=C(C=N1)CO Z198954582 [0,1,0,0,0,0|0,0,0]=1 114 B8R1.1 CN1C=C(N=N1)C#N Z1695554419 [0,1,0,0,0,0|2,0,1]=4 115 B8R1.1 CN1C=C(N=N1)C=O Z1013717706 [0,1,0,0,0,0|1,0,2]=4 116 B8R1.1 CN1C=C(N=N1)CN Z2596802308 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.1 CN1C=C(N=N1)CO Z982118318 [0,1,0,0,0,0|1,0,0]=2 118 B8R1.1 CN1C=CC(=C1)C#N Z1198315030 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.1 CN1C=CC(=C1)C=O Z1198160553 [0,1,0,0,0,0|1,0,2]=4 120 B8R1.1 CN1C=CC(=N1)CN Z2724335171 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.1 CN1C=CC(=N1)CO Z802669186 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.1 CN1C=NC(=C1)CO Z1137167436 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.1 CN1N=CC(=N1)CN Z1203652613 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.1 CN1N=CC(=N1)CO Z1896980083 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.1 CN1N=NC(=N1)CN Z1895583562 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.1 CNC1=CN(N=C1)C Z1255523371 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.1 NC1=NC(=CS1)CO Z2092371345 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.1 NC1=NN=C(N1)CO Z600620424 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.1 NC1=NN=C(O1)CO Z1203584672 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.1 NC1=NN=C(S1)CO Z600620432 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.1 NCC1=CN=C(S1)Cl Z1741976615 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.1 NCC1=CN=C(S1)N Z2989210641 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.1 NCC1=CSC(=C1)Br Z234896703 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.1 O=CC1=CNC(=C1)Br Z1255492158 [0,1,0,0,0,0|1,0,2]=4 136 B8R1.1 OCC1=CC(=CS1)Br Z362636152 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.1 OCC1=CC=C(S1)Cl Z381678198 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.1 OCC1=CSC(=C1)Br Z431952558 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.1 OCC1=CSC(=N1)S Z2863487239 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.1 OCC1=NN=C(S1)Cl Z1136468630 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.1 OCC1=NNC(=C1)O Z1198176676 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.7 CC(=O)C1=CNC=C1 Z1154253452 [0,1,0,0,0,0|1,0,2]=4 143 B8R1.7 CC(=O)C1=CNN=C1 Z1966569327 [0,1,0,0,0,0|0,0,2]=3 144 B8R1.7 CC(=O)C1=CNN=N1 Z4098008860 [0,1,0,0,0,0|1,0,2]=4 145 B8R1.7 CC(C)C1=CNN=C1 Z2418194166 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.7 CC(C)C1=NNC=C1 Z815437700 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.7 CC(C)N1C=NN=C1 Z1492981085 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.7 CC(N)C1=CC=NN1 Z362020428 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.7 CC(N)C1=CC=NS1 Z2687575410 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.7 CC(N)C1=CNC=N1 Z1198180341 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.7 CC(N)C1=CNN=C1 Z4606013370 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.7 CC(N)C1=COC=C1 Z1436472920 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.7 CC(N)C1=CSC=C1 Z513796194 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.7 CC(N)C1=CSN=C1 Z3486644530 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.7 CC(O)C1=CC=CS1 Z335245078 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.7 CC(O)C1=CNC=N1 Z1198180340 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.7 CC(O)C1=CSN=N1 Z1766930027 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.7 CC(O)C1=NN=CN1 Z2587997232 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.7 CC(O)C1=NN=NN1 Z1216833150 [0,1,0,0,0,0|2,0,1]=4 160 B8R1.7 CC(O)C1=NNC=C1 Z655071084 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.7 C[C@@H](O)C1=CN=CS1 Z1217177234 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.7 N=C(N)C1=CNN=C1 Z4754527954 [0,1,0,0,0,0|1,0,1]=3 163 B8R1.7 N=C(N)C1=CNN=N1 Z2168499549 [0,1,0,0,0,0|2,0,1]=4 164 B8R1.7 NC(=O)C1=CNC=C1 Z1167406084 [0,1,0,0,0,0|1,0,2]=4 165 B8R1.7 NC(=O)C1=CNN=C1 Z431978758 [0,1,0,0,0,0|0,0,2]=3 166 B8R1.7 NC(=O)C1=CNN=N1 Z803943044 [0,1,0,0,0,0|1,0,2]=4 167 B8R1.7 O=C(O)C1=CC=NO1 Z56943419 [0,1,0,0,0,0|2,0,1]=4 168 B8R1.7 O=C(O)C1=CC=NS1 Z1079264356 [0,1,0,0,0,0|2,0,1]=4 169 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [0,1,0,0,0,0|2,0,1]=4 170 B8R1.7 O=C(O)C1=CN=CO1 Z204020264 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.7 O=C(O)C1=CN=CS1 Z204146918 [0,1,0,0,0,0|2,0,1]=4 172 B8R1.7 O=C(O)C1=CN=NS1 Z425800944 [0,1,0,0,0,0|1,0,2]=4 173 B8R1.7 O=C(O)C1=CNC=C1 Z1154253207 [0,1,0,0,0,0|1,0,1]=3 174 B8R1.7 O=C(O)C1=CNN=C1 Z275128380 [0,1,0,0,0,0|0,0,1]=2 175 B8R1.7 O=C(O)C1=CNN=N1 Z1814381620 [0,1,0,0,0,0|1,0,1]=3 176 B8R1.7 O=C(O)C1=COC=C1 Z164706016 [0,1,0,0,0,0|2,0,1]=4 177 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.7 O=C(O)C1=CSN=C1 Z1198181914 [0,1,0,0,0,0|1,0,1]=3 179 B8R1.7 O=C(O)C1=CSN=N1 Z178960862 [0,1,0,0,0,0|2,0,1]=4 180 B8R1.7 O=C(O)C1=NNC=C1 Z381357668 [0,1,0,0,0,0|2,0,1]=4 181 B8R1.7 O=C(O)C1=NON=C1 Z1201620383 [0,1,0,0,0,0|2,0,1]=4 182 B8R1.7 O=C(O)C1=NSN=C1 Z425800962 [0,1,0,0,0,0|2,0,1]=4 183 B8R1.7 O=[N+]([O-])C1=CNN=C1 Z235361263 [0,1,0,0,0,0|1,0,1]=3 184 B8R1.7 O=[N+]([O-])C1=CNN=N1 Z2687203948 [0,1,0,0,0,0|2,0,1]=4 185 B8R1.7 OB(O)C1=COC=C1 Z1179935144 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.7 OB(O)C1=CSC=C1 Z336079668 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.8 C#CCN1C=CN=C1 Z1258992451 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.8 C=CCN1C=CN=C1 Z104477560 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.8 CCCC1=CNN=C1 Z1263714332 [0,1,0,0,0,0|1,0,0]=2 190 B8R1.8 CCOC1=CNN=C1 Z1726113833 [0,1,0,0,0,0|1,0,0]=2 191 B8R1.8 CCOC1=NNC=C1 Z1416187675 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.8 CNCC1=CNN=C1 Z1267881670 [0,1,0,0,0,0|1,0,0]=2 193 B8R1.8 CNCC1=CNN=N1 Z2568737812 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.8 CNCC1=COC=C1 Z385447092 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.8 CNCC1=CSC=C1 Z57206125 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.8 CNCC1=NNC=C1 Z445185804 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.8 CNCC1=NNN=N1 Z1250080922 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.8 COCC1=CNC=N1 Z1203733599 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.8 COCC1=NN=NN1 Z1000888 [0,1,0,0,0,0|2,0,1]=4 200 B8R1.8 COCC1=NNC=C1 Z1270114780 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.8 COCC1=NNC=N1 Z1201627056 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.8 ClCCN1C=CN=C1 Z94599643 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.8 N#CCC1=CC=NO1 Z90662868 [0,1,0,0,0,0|3,0,0]=4 204 B8R1.8 N#CCC1=CN=CN1 Z1198166128 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.8 N#CCC1=CNN=C1 Z875024638 [0,1,0,0,0,0|1,0,0]=2 206 B8R1.8 N#CCC1=CON=C1 Z600429582 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.8 N#CCC1=CSC=C1 Z111869576 [0,1,0,0,0,0|3,0,0]=4 208 B8R1.8 NCCC1=CC=NS1 Z2768432862 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.8 NCCC1=CNC=N1 Z1267773750 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.8 NCCC1=CNN=C1 Z336080532 [0,1,0,0,0,0|1,0,0]=2 211 B8R1.8 NCCC1=CNN=N1 Z3005762594 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.8 NCCC1=COC=C1 Z2310701825 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.8 NCCC1=NNC=C1 Z2867120994 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.8 NCCN1C=CN=C1 Z147642864 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.8 O/N=C/C1=CSN=N1 Z381627142 [0,1,0,0,0,0|2,0,1]=4 216 B8R1.8 O=CCC1=CSC=C1 Z1079442684 [0,1,0,0,0,0|2,0,1]=4 217 B8R1.8 OCCC1=CC=CO1 Z1179944660 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.8 OCCC1=CC=CS1 Z397587354 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.8 OCCC1=CN=CS1 Z1198334159 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.8 OCCC1=CNN=C1 Z1333876037 [0,1,0,0,0,0|0,0,0]=1 221 B8R1.8 OCCC1=CNN=N1 Z982120080 [0,1,0,0,0,0|1,0,0]=2 222 B8R1.8 OCCC1=COC=C1 Z1179944659 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.8 OCCC1=CSC=C1 Z397587098 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.8 OCCC1=CSC=N1 Z1263714384 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.8 OCCN1C=NC=N1 Z234898253 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.11 CC1=C(C=CO1)CN Z803145352 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.11 CC1=C(C=CO1)CO Z397587324 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.11 CC1=C(C=CS1)CN Z3034293414 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.11 CC1=C(C=NN1)C#N Z1966569994 [0,1,0,0,0,0|1,0,1]=3 230 B8R1.11 CC1=C(C=NN1)CN Z1837077131 [0,1,0,0,0,0|1,0,0]=2 231 B8R1.11 CC1=C(C=NN1)CO Z1198107480 [0,1,0,0,0,0|0,0,0]=1 232 B8R1.11 CC1=C(C=NO1)C=O Z826536276 [0,1,0,0,0,0|1,0,2]=4 233 B8R1.11 CC1=C(C=NO1)CN Z2895200737 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.11 CC1=C(C=NS1)C=O Z1198279981 [0,1,0,0,0,0|1,0,2]=4 235 B8R1.11 CC1=C(N=CN1)CN Z1318147471 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.11 CC1=C(N=CN1)CO Z173808378 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.11 CC1=C(N=CS1)CO Z1198176703 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.11 CC1=C(NN=C1)CN Z2865543087 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.11 CC1=C(OC=N1)CN Z2939254026 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.11 CC1=C(OC=N1)CO Z1198166472 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.11 CC1=C(SC=N1)CN Z291234254 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.11 CC1=C(SC=N1)CO Z397587526 [0,1,0,0,0,0|2,0,0]=3 243 B8R1.11 CC1=CNC=C1C#N Z1203732959 [0,1,0,0,0,0|2,0,1]=4 244 B8R1.11 CC1=CNC=C1C=O Z1203832675 [0,1,0,0,0,0|1,0,2]=4 245 B8R1.11 CC1=CNN=C1CO Z1898597737 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.11 CC1=COC=C1CN Z5616265876 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.11 CC1=CSC=C1CN Z1345189827 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.11 CC1=NNC=C1C=O Z319610836 [0,1,0,0,0,0|0,0,2]=3 249 B8R1.11 CC1=NOC=C1C=O Z1198279977 [0,1,0,0,0,0|1,0,2]=4 250 B8R1.11 CC1=NON=C1CN Z1269638429 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.11 CC1=NON=C1CO Z1188433422 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.11 CC1=NSC=C1C=O Z1198279895 [0,1,0,0,0,0|1,0,2]=4 253 B8R1.11 CCC1=CNN=C1N Z1741979116 [0,1,0,0,0,0|1,0,0]=2 254 B8R1.11 CCC1=CSC=C1N Z4935394961 [0,1,0,0,0,0|3,0,0]=4 255 B8R1.11 CCC1=NON=C1N Z359374178 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.11 CCN1C=CN=C1N Z594268182 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.11 CCN1C=CN=C1S Z220434788 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.11 CCN1C=CNC1=O Z1198329853 [0,1,0,0,0,0|3,0,0]=4 259 B8R1.11 CCN1C=NN=C1C Z992282678 [0,1,0,0,0,0|2,0,1]=4 260 B8R1.11 CCN1C=NN=C1N Z2027049489 [0,1,0,0,0,0|2,0,1]=4 261 B8R1.11 CCN1C=NN=C1O Z1492982064 [0,1,0,0,0,0|2,0,1]=4 262 B8R1.11 CCN1C=NN=C1S Z99599580 [0,1,0,0,0,0|2,0,1]=4 263 B8R1.11 CN1C=NC=C1CN Z1198266141 [0,1,0,0,0,0|3,0,0]=4 264 B8R1.11 CN1C=NC=C1CO Z1115775402 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.11 CN1N=CC=C1CN Z316122740 [0,1,0,0,0,0|3,0,0]=4 266 B8R1.11 CN1N=CC=C1CO Z501748978 [0,1,0,0,0,0|2,0,0]=3 267 B8R1.11 CN1N=CN=C1CO Z2786104722 [0,1,0,0,0,0|3,0,0]=4 268 B8R1.11 CN1N=NC=C1CN Z2111525634 [0,1,0,0,0,0|2,0,1]=4 269 B8R1.11 CN1N=NC=C1CO Z1251355468 [0,1,0,0,0,0|1,0,1]=3 270 B8R1.11 CN1N=NN=C1CO Z1504687526 [0,1,0,0,0,0|2,0,1]=4 271 B8R1.11 CSC1=CNN=C1N Z802600050 [0,1,0,0,0,0|2,0,0]=3 272 B8R1.11 ClCC1=C(SN=N1)Cl Z104378184 [0,1,0,0,0,0|3,0,0]=4 273 B8R1.11 N#CC1=C(NN=C1)N Z56896903 [0,1,0,0,0,0|1,0,1]=3 274 B8R1.11 N#CC1=C(ON=C1)N Z56983135 [0,1,0,0,0,0|2,0,1]=4 275 B8R1.11 NCC1=C(C=NN1)Br Z1263824426 [0,1,0,0,0,0|3,0,0]=4 276 B8R1.11 NCC1=C(SC=C1)Cl Z4459561724 [0,1,0,0,0,0|3,0,0]=4 277 B8R1.11 NCC1=C(SC=C1)I Z4912253513 [0,1,0,0,0,0|3,0,0]=4 278 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,0,0,0|1,0,2]=4 279 B8R1.11 O=CC1=CNC=C1Br Z1262592887 [0,1,0,0,0,0|1,0,2]=4 280 B8R1.2 C#CC1=CN=CN=C1 Z1080385536 [0,0,0,0,0,1|1,0,2]=4 281 B8R1.2 CCC1=CC=CC=C1 Z104473632 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [0,0,0,0,0,1|2,0,0]=3 283 B8R1.2 CCC1=CN=CC=C1 Z104476778 [0,0,0,0,0,1|2,0,0]=3 284 B8R1.2 CCC1=NC=CC=C1 Z113558650 [0,0,0,0,0,1|3,0,0]=4 285 B8R1.2 CCC1=NC=NC=C1 Z1198725956 [0,0,0,0,0,1|2,0,0]=3 286 B8R1.2 CCC1=NN=CC=C1 Z1222425026 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [0,0,0,0,0,1|3,0,0]=4 288 B8R1.2 CNC1=NC=NC=C1 Z800212728 [0,0,0,0,0,1|3,0,0]=4 289 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [0,0,0,0,0,1|3,0,0]=4 290 B8R1.2 CSC1=NC=CN=C1 Z1203162104 [0,0,0,0,0,1|3,0,0]=4 291 B8R1.2 N#CC1=CC=NC=C1 Z57899720 [0,0,0,0,0,1|2,0,1]=4 292 B8R1.2 N#CC1=CN=CC=C1 Z57899719 [0,0,0,0,0,1|2,0,1]=4 293 B8R1.2 N#CC1=CN=CN=C1 Z1201619938 [0,0,0,0,0,1|1,0,2]=4 294 B8R1.2 N#CC1=NC=CN=C1 Z448103898 [0,0,0,0,0,1|2,0,1]=4 295 B8R1.2 N#CC1=NC=NC=C1 Z1116387809 [0,0,0,0,0,1|2,0,1]=4 296 B8R1.2 NCC1=CC=CC=C1 Z54748260 [0,0,0,0,0,1|3,0,0]=4 297 B8R1.2 NCC1=CC=NC=C1 Z104474354 [0,0,0,0,0,1|2,0,0]=3 298 B8R1.2 NCC1=CN=CC=C1 Z104474366 [0,0,0,0,0,1|2,0,0]=3 299 B8R1.2 NCC1=CN=CN=C1 Z3244401628 [0,0,0,0,0,1|1,0,1]=3 300 B8R1.2 NCC1=NC=CC=C1 Z104474352 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.2 NCC1=NC=CN=C1 Z241059702 [0,0,0,0,0,1|2,0,0]=3 302 B8R1.2 NCC1=NC=NC=C1 Z254526552 [0,0,0,0,0,1|2,0,0]=3 303 B8R1.2 NCC1=NN=CC=C1 Z1198165902 [0,0,0,0,0,1|3,0,0]=4 304 B8R1.2 O=CC1=CC=NC=C1 Z57161993 [0,0,0,0,0,1|1,0,2]=4 305 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [0,0,0,0,0,1|1,0,2]=4 306 B8R1.2 O=CC1=CN=CN=C1 Z1013450426 [0,0,0,0,0,1|0,0,3]=4 307 B8R1.2 O=CC1=CN=NC=C1 Z1255435509 [0,0,0,0,0,1|0,0,3]=4 308 B8R1.2 O=CC1=NC=CN=C1 Z1013412214 [0,0,0,0,0,1|1,0,2]=4 309 B8R1.2 OCC1=CC=CC=C1 Z104476418 [0,0,0,0,0,1|2,0,0]=3 310 B8R1.2 OCC1=CC=NC=C1 Z335244866 [0,0,0,0,0,1|1,0,0]=2 311 B8R1.2 OCC1=CCNCC1 Z2310702179 [0,0,0,0,0,1|1,0,1]=3 312 B8R1.2 OCC1=CN=CC=C1 Z104495622 [0,0,0,0,0,1|1,0,0]=2 313 B8R1.2 OCC1=COCCO1 Z1101443027 [0,0,0,0,0,1|2,0,1]=4 314 B8R1.2 OCC1=NC=CC=C1 Z57921252 [0,0,0,0,0,1|2,0,0]=3 315 B5R0.1 C=C(C)CCN Z1203582475 [1,0,1,0,0,0|1,0,1]=4 316 B5R0.1 CC(=CCN)C Z1827897919 [1,0,1,0,0,0|1,0,1]=4 317 B5R0.2 C=C/C=C/CN Z3270208113 [1,0,1,0,0,0|2,0,0]=4 318 B5R0.2 NC/C=C/CN Z2235386837 [1,0,1,0,0,0|2,0,0]=4 319 B5R0.2 OC/C=C/CO Z237581088 [1,0,1,0,0,0|2,0,0]=4 320 B5R0.3 C=C(CC)CN Z2238934536 [1,0,1,0,0,0|1,0,1]=4 321 B5R0.3 C=CC(N)CO Z2146514374 [1,0,1,0,0,0|1,0,1]=4 322 B5R0.3 CNC(=O)CO Z431952700 [1,0,1,0,0,0|2,0,0]=4 323 B5R0.3 N=C(CN)NO Z223781376 [1,0,1,0,0,0|1,0,1]=4 324 B5R0.3 OC/C(=C/I)/I Z4691071538 [1,0,1,0,0,0|2,0,0]=4 325 B5R1.1 C1=CCNC1 Z2306624771 [2,0,0,0,0,0|1,0,1]=4 326 B5R1.1 C1=CNC=C1 Z104479036 [2,0,0,0,0,0|1,0,0]=3 327 B5R1.1 C1=CNC=N1 Z104472692 [2,0,0,0,0,0|2,0,0]=4 328 B5R1.1 C1=CNN=C1 Z104507728 [2,0,0,0,0,0|0,0,0]=2 329 B5R1.1 C1=CNN=N1 Z237528494 [2,0,0,0,0,0|1,0,0]=3 330 B5R1.1 C1=NN=CN1 Z104479156 [2,0,0,0,0,0|1,0,1]=4 331 B5R1.1 C1=NN=CS1 Z1198156558 [2,0,0,0,0,0|1,0,1]=4 332 B7R1.2 CC1=CC(=NN1)C Z50145988 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.2 CC1=CC(=NO1)N Z104503828 [1,1,0,0,0,0|2,0,0]=4 334 B7R1.2 CC1=CC(=NS1)N Z1198165856 [1,1,0,0,0,0|2,0,0]=4 335 B7R1.2 CC1=CC(=O)NO1 Z56761467 [1,1,0,0,0,0|2,0,0]=4 336 B7R1.2 CC1=CN=C(N1)O Z2630875693 [1,1,0,0,0,0|2,0,0]=4 337 B7R1.2 CC1=CN=C(O1)N Z994267654 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.2 CC1=CN=C(S1)N Z104500072 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.2 CC1=CNC(=N1)C Z217301646 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.2 CC1=CNC(=N1)N Z2515238565 [1,1,0,0,0,0|2,0,0]=4 341 B7R1.2 CC1=CNC(=N1)S Z1198163268 [1,1,0,0,0,0|2,0,0]=4 342 B7R1.2 CC1=NNC(=C1)N Z55423088 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.2 CN1C=C(C=N1)Br Z337709426 [1,1,0,0,0,0|1,0,0]=3 344 B7R1.2 CN1C=C(C=N1)I Z957334240 [1,1,0,0,0,0|1,0,0]=3 345 B7R1.2 CN1C=C(C=N1)N Z1741968059 [1,1,0,0,0,0|1,0,0]=3 346 B7R1.2 CN1C=C(C=N1)O Z1258763763 [1,1,0,0,0,0|0,0,0]=2 347 B7R1.2 CN1C=C(N=N1)Br Z1198276396 [1,1,0,0,0,0|2,0,0]=4 348 B7R1.2 CN1C=C(N=N1)N Z2177030666 [1,1,0,0,0,0|2,0,0]=4 349 B7R1.2 CN1C=CC(=N1)O Z1343577415 [1,1,0,0,0,0|2,0,0]=4 350 B7R1.2 CN1C=NC(=C1)N Z2472857442 [1,1,0,0,0,0|2,0,0]=4 351 B7R1.2 CN1N=NC(=N1)O Z2299388832 [1,1,0,0,0,0|2,0,0]=4 352 B7R1.4 CC1=C(C=NN1)Cl Z1507502582 [1,1,0,0,0,0|1,0,0]=3 353 B7R1.4 CC1=C(C=NO1)I Z1269175158 [1,1,0,0,0,0|2,0,0]=4 354 B7R1.4 CC1=C(C=NO1)N Z1465461252 [1,1,0,0,0,0|2,0,0]=4 355 B7R1.4 CC1=C(CNC1)C Z1203817906 [1,1,0,0,0,0|1,0,1]=4 356 B7R1.4 CC1=C(NN=N1)N Z2527856121 [1,1,0,0,0,0|1,0,0]=3 357 B7R1.4 CC1=C(ON=C1)N Z815305382 [1,1,0,0,0,0|1,0,0]=3 358 B7R1.4 CC1=C(SN=C1)N Z3716437679 [1,1,0,0,0,0|1,0,0]=3 359 B7R1.4 CC1=CC=NN1C Z826535916 [1,1,0,0,0,0|2,0,0]=4 360 B7R1.4 CC1=CNC=C1C Z1198162792 [1,1,0,0,0,0|1,0,0]=3 361 B7R1.4 CC1=CON=C1N Z995041844 [1,1,0,0,0,0|1,0,0]=3 362 B7R1.4 CC1=CSC=C1N Z1492796718 [1,1,0,0,0,0|2,0,0]=4 363 B7R1.4 CC1=NN=CN1C Z422646574 [1,1,0,0,0,0|1,0,1]=4 364 B7R1.4 CC1=NNC=C1N Z600615694 [1,1,0,0,0,0|1,0,0]=3 365 B7R1.4 CC1=NOC=C1N Z2466617876 [1,1,0,0,0,0|2,0,0]=4 366 B7R1.4 CC1=NON=C1N Z57948408 [1,1,0,0,0,0|2,0,0]=4 367 B7R1.4 CC1=NSC=C1N Z2737427927 [1,1,0,0,0,0|2,0,0]=4 368 B7R1.4 CN1C=CN=C1Br Z959380970 [1,1,0,0,0,0|2,0,0]=4 369 B7R1.4 CN1C=CN=C1N Z2309759326 [1,1,0,0,0,0|2,0,0]=4 370 B7R1.4 CN1C=CN=C1S Z57901905 [1,1,0,0,0,0|2,0,0]=4 371 B7R1.4 CN1C=CNC1=O Z1198329852 [1,1,0,0,0,0|2,0,0]=4 372 B7R1.4 CN1C=NC=C1Cl Z168874650 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.4 CN1C=NN=C1N Z1692788308 [1,1,0,0,0,0|1,0,1]=4 374 B7R1.4 CN1C=NN=C1S Z56922095 [1,1,0,0,0,0|1,0,1]=4 375 B7R1.4 CN1C=NNC1=O Z1526503443 [1,1,0,0,0,0|1,0,0]=3 376 B7R1.4 CN1N=NC=C1O Z4561746935 [1,1,0,0,0,0|1,0,1]=4 377 B7R1.4 NC1=C(C=NN1)F Z3489104737 [1,1,0,0,0,0|1,0,0]=3 378 B7R1.4 NC1=CNN=C1N Z802599594 [1,1,0,0,0,0|1,0,0]=3 379 B7R1.4 NC1=CNNC1=O Z2216303144 [1,1,0,0,0,0|1,0,1]=4 380 B7R1.4 NC1=NNC=C1Cl Z1741966355 [1,1,0,0,0,0|1,0,0]=3 381 B7R1.4 NC1=NNC=C1I Z1269216483 [1,1,0,0,0,0|1,0,0]=3 382 B7R1.4 OC1=NSC=C1Br Z3243456041 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.1 BrCC1=NC=C(N=C1)Br Z3244822385 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.1 CC1=CN=C(C=C1)CO Z1198270889 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.1 CC1=NC=C(C=C1)CN Z444349734 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.1 CC1=NC=C(C=C1)CO Z397587474 [0,1,0,0,0,1|1,0,0]=3 387 B9R1.1 CC1=NC=C(C=N1)CO Z1013716404 [0,1,0,0,0,1|0,0,1]=3 388 B9R1.1 CC1=NC=C(N=C1)CN Z3271770568 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.1 CC1=NC=C(N=C1)CO Z397587476 [0,1,0,0,0,1|1,0,0]=3 390 B9R1.1 CCC1=CN=C(C=C1)N Z1198224278 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.1 CCC1=CN=C(N=C1)Br Z1255367602 [0,1,0,0,0,1|1,0,1]=4 392 B9R1.1 CCC1=CN=C(N=C1)Cl Z1255423971 [0,1,0,0,0,1|1,0,1]=4 393 B9R1.1 CCC1=CN=C(N=C1)N Z1137168329 [0,1,0,0,0,1|1,0,1]=4 394 B9R1.1 CCC1=NC=C(N=C1)Br Z1198319305 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.1 ClCC1=NC=C(N=C1)Cl Z1198277950 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.1 FCC1=CN=C(N=C1)Cl Z1278925496 [0,1,0,0,0,1|1,0,1]=4 397 B9R1.1 NC1=NC=C(C=C1)CO Z960446254 [0,1,0,0,0,1|1,0,0]=3 398 B9R1.1 NC1=NC=C(C=N1)CO Z1198267212 [0,1,0,0,0,1|0,0,1]=3 399 B9R1.1 NC1=NC=C(N=C1)CO Z1203583050 [0,1,0,0,0,1|1,0,0]=3 400 B9R1.1 NC1=NN=C(C=C1)CO Z2739402763 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.1 NCC1=CN=C(C=C1)Cl Z247612574 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.1 NCC1=CN=C(C=C1)F Z1198311144 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.1 NCC1=CN=C(C=C1)O Z1269638445 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.1 NCC1=CN=C(N=C1)Cl Z3244522008 [0,1,0,0,0,1|1,0,1]=4 405 B9R1.1 NCC1=NC=C(N=C1)Br Z1416181963 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.1 NCC1=NC=C(N=C1)Cl Z1198278893 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.1 OCC1=NC=C(C=C1)Br Z1065600752 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.1 OCC1=NC=C(C=C1)Cl Z1198272591 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.1 OCC1=NC=C(N=C1)Br Z1255381074 [0,1,0,0,0,1|1,0,0]=3 415 B9R1.1 OCC1=NN=C(C=C1)Cl Z2418413578 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.2 CC1=CC(=CN=C1)CN Z1198167984 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.2 CC1=CC(=CN=C1)CO Z4562296729 [0,1,0,0,0,1|1,0,0]=3 418 B9R1.2 CC1=NC(=CC=C1)CO Z397587486 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.2 CC1=NC(=CC=N1)CO Z1013685034 [0,1,0,0,0,1|1,0,0]=3 420 B9R1.2 CC1=NC=CC(=C1)CO Z1198175905 [0,1,0,0,0,1|1,0,0]=3 421 B9R1.2 CCC1=NC(=NC=C1)Cl Z1198279743 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.2 CCC1=NC(=NC=C1)N Z1203579436 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.2 CCC1=NC=NC(=C1)Br Z798339806 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.2 CCC1=NC=NC(=C1)Cl Z798251108 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.2 CCC1=NC=NC(=C1)N Z798339040 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.2 CCC1=NC=NC(=C1)O Z798251110 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.2 CNC1=CC(=O)NN=C1 Z1270443752 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.2 ClCC1=CC(=CN=C1)Br Z381037204 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.2 ClCC1=NC(=CN=C1)Cl Z1255357868 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.2 ClCC1=NC(=NC=C1)Cl Z1198277208 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.2 ClCC1=NC=NC(=C1)Cl Z1198277210 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.2 FCC1=NC(=NC=C1)Cl Z2732456261 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.2 NC1=CC(=NC=C1)CO Z1198310848 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.2 NC1=NC(=CC=C1)CO Z154209994 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.2 NC1=NC(=CN=C1)CO Z1203641562 [0,1,0,0,0,1|1,0,0]=3 436 B9R1.2 NC1=NC=CC(=C1)CO Z991492364 [0,1,0,0,0,1|1,0,0]=3 437 B9R1.2 NC1=NC=NC(=C1)CO Z1203652668 [0,1,0,0,0,1|1,0,0]=3 438 B9R1.2 NCC1=CC(=CN=C1)Br Z2692250391 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.2 NCC1=CC(=CN=C1)Cl Z3244925674 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.2 NCC1=CC(=CN=C1)O Z2310701794 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.2 NCC1=NC(=CN=C1)Cl Z3235038825 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.2 NCC1=NC(=NC=C1)Cl Z2768204537 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.2 NCC1=NC(=NC=C1)N Z235362841 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.2 NCC1=NC=NC(=C1)O Z2511806596 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.2 O=C1C=C(C=CN1)CO Z1203733303 [0,1,0,0,0,1|1,0,0]=3 446 B9R1.2 OCC1=CC(=CC=C1)Br Z335244752 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.2 OCC1=CC(=CC=C1)Cl Z212055560 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.2 OCC1=CC(=CC=C1)F Z104477458 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.2 OCC1=CC(=CC=C1)O Z335245000 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.2 OCC1=CC(=CN=C1)Br Z381037198 [0,1,0,0,0,1|1,0,0]=3 451 B9R1.2 OCC1=CC(=NC=C1)Cl Z979439344 [0,1,0,0,0,1|1,0,0]=3 452 B9R1.2 OCC1=NC(=CC=C1)O Z1198343459 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.2 OCC1=NC(=NC=C1)Cl Z1216818044 [0,1,0,0,0,1|1,0,0]=3 454 B9R1.2 OCC1=NC=CC(=C1)Cl Z979714554 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [0,1,0,0,0,1|1,0,0]=3 458 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [0,1,0,0,0,1|1,0,0]=3 459 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.6 CC(O)C1=NC=CN=C1 Z513751834 [0,1,0,0,0,1|1,0,0]=3 461 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Z1197994836 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.6 C[C@H](N)C1=CC=NC=C1 Z1492781304 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.6 O=C(O)C1=CC=NC=C1 Z104473016 [0,1,0,0,0,1|1,0,1]=4 466 B9R1.6 O=C(O)C1=CN=CC=C1 Z56755709 [0,1,0,0,0,1|1,0,1]=4 467 B9R1.6 O=C(O)C1=CN=CN=C1 Z336079948 [0,1,0,0,0,1|0,0,2]=4 468 B9R1.6 O=C(O)C1=CN=NC=C1 Z1182328443 [0,1,0,0,0,1|0,0,2]=4 469 B9R1.6 O=C(O)C1=NC=CN=C1 Z104476002 [0,1,0,0,0,1|1,0,1]=4 470 B9R1.6 O=C(O)C1=NC=NC=C1 Z57064900 [0,1,0,0,0,1|1,0,1]=4 471 B9R1.6 OB(O)C1=CC=NC=C1 Z285038904 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.6 OB(O)C1=CN=CC=C1 Z608482642 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.8 CNCC1=NC=CN=C1 Z385447136 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.8 CNCC1=NC=NC=C1 Z2871313713 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [0,1,0,0,0,1|1,1,0]=4 481 B9R1.8 N#CCC1=CN=CC=C1 Z239871646 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.8 N#CCC1=NC=CN=C1 Z1098233793 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.8 N#CCC1=NC=NC=C1 Z1098233919 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.8 NCCC1=CN=NC=C1 Z3070743015 [0,1,0,0,0,1|1,0,1]=4 487 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.8 NCCC1=NC=NC=C1 Z2935002210 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [0,1,0,0,0,1|1,0,0]=3 493 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [0,1,0,0,0,1|1,0,0]=3 495 B9R1.8 OCCC1=NC=NC=C1 Z1250886882 [0,1,0,0,0,1|1,0,0]=3 496 B9R1.15 CC1=C(C=CC=C1)CO Z335244790 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.15 CC1=C(C=CN=C1)CO Z1198163942 [0,1,0,0,0,1|1,0,0]=3 498 B9R1.15 CC1=C(C=NC=C1)CO Z1198156922 [0,1,0,0,0,1|1,0,0]=3 499 B9R1.15 CC1=C(N=CC=C1)CO Z976637084 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.15 CC1=C(N=CC=N1)CN Z3671696702 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.15 CCC1=C(C=NC=C1)N Z1203586904 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.15 CCC1=C(C=NC=N1)O Z1618133826 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.15 CCC1=C(N=CC=C1)N Z1192017773 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.15 CCC1=C(N=CC=C1)O Z1198266674 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.15 CCC1=C(N=CC=N1)Cl Z1198149374 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.15 CCC1=C(N=CC=N1)N Z1203580180 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.15 CCC1=CNC=CC1=N Z1525649973 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.15 CCC1=NC=CNC1=O Z3274889193 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.15 CCC1=NNC=NC1=O Z1201628993 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.15 ClCC1=C(N=CC=N1)Cl Z934373154 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.15 N#CC1=CN=CNC1=O Z2065464281 [0,1,0,0,0,1|1,0,1]=4 512 B9R1.15 NC1=C(C=CC=C1)CO Z104495736 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.15 NC1=C(C=CN=C1)CO Z1201623606 [0,1,0,0,0,1|1,0,0]=3 514 B9R1.15 NC1=C(C=NC=N1)CO Z1198223533 [0,1,0,0,0,1|0,0,1]=3 515 B9R1.15 NC1=C(N=CC=N1)CO Z1198237691 [0,1,0,0,0,1|1,0,0]=3 516 B9R1.15 NCC1=C(C=CN=C1)Cl Z3386909551 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.15 NCC1=C(C=CN=C1)N Z1742055036 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.15 NCC1=C(C=NC=C1)Br Z2731710898 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.15 NCC1=C(N=CC=N1)Cl Z2472857434 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.15 NCC1=C(N=CN=C1)N Z1456202381 [0,1,0,0,0,1|1,0,1]=4 521 B9R1.15 OCC1=C(C=CC=C1)Br Z335245004 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.15 OCC1=C(C=CC=C1)Cl Z104476786 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.15 OCC1=C(C=CC=C1)F Z104495204 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.15 OCC1=C(C=CC=C1)I Z57472670 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.15 OCC1=C(C=CC=C1)O Z335244902 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.15 OCC1=C(C=CN=C1)Cl Z1741982140 [0,1,0,0,0,1|1,0,0]=3 527 B9R1.15 OCC1=C(C=NC=C1)Cl Z1198261848 [0,1,0,0,0,1|1,0,0]=3 528 B9R1.15 OCC1=C(C=NC=C1)F Z1251273325 [0,1,0,0,0,1|1,0,0]=3 529 B9R1.15 OCC1=C(N=CC=C1)Cl Z979431808 [0,1,0,0,0,1|1,0,0]=3 530 B9R1.7 CCNC1=CN(N=C1)C Z431528348 [0,2,0,0,0,0|1,0,0]=3 531 B9R1.7 CN1C=C(C=N1)CC#N Z382816602 [0,2,0,0,0,0|1,0,0]=3 532 B9R1.7 CN1C=C(C=N1)CCN Z335291636 [0,2,0,0,0,0|1,0,0]=3 533 B9R1.7 CN1C=C(C=N1)CCO Z992949632 [0,2,0,0,0,0|0,0,0]=2 534 B9R1.7 CN1C=C(N=N1)CC#N Z1891552124 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.7 CN1C=CC(=N1)CCO Z1551881302 [0,2,0,0,0,0|2,0,0]=4 536 B9R1.7 CN1N=CC(=N1)/C=N/O Z2216266162 [0,2,0,0,0,0|1,0,1]=4 537 B9R1.7 CN1N=CC(=N1)CCO Z2179941262 [0,2,0,0,0,0|1,0,0]=3 538 B9R1.7 CNCC1=CN(N=C1)C Z102767934 [0,2,0,0,0,0|1,0,0]=3 539 B9R1.7 CNCC1=CN(N=N1)C Z2523764964 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.7 NC1=NC=C(S1)CCO Z1203580148 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.21 C#CC1=CN(N=C1)CC Z1080385598 [0,2,0,0,0,0|1,0,1]=4 542 B9R1.21 C=CN1C=C(C=N1)C=O Z1201626383 [0,2,0,0,0,0|0,0,2]=4 543 B9R1.21 CCN1C=C(C=N1)C=O Z802540778 [0,2,0,0,0,0|0,0,2]=4 544 B9R1.21 CCN1C=C(C=N1)CN Z802540782 [0,2,0,0,0,0|1,0,0]=3 545 B9R1.21 CCN1C=C(C=N1)NC Z4991925110 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.21 CCN1N=CC(=N1)CO Z1897049017 [0,2,0,0,0,0|1,0,0]=3 547 B9R1.21 NCC1=NNC(=C1)CO Z3824661166 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.22 CC1=CC(=C(O1)C)CO Z397587274 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.22 CC1=CC(=C(S1)C)CO Z385370378 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.22 CC1=CN(N=C1CO)C Z1198313369 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.22 CC1=NC(=C(S1)CO)C Z1020823296 [0,2,0,0,0,0|2,0,0]=4 552 B9R1.22 CC1=NN(C(=C1)CO)C Z1201621842 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.22 CC1=NN(C=C1C=O)C Z275170080 [0,2,0,0,0,0|0,0,2]=4 554 B9R1.22 CC1=NN(N=C1CN)C Z5032207655 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.22 CN1C=C(C(=N1)Br)C=O Z1416186503 [0,2,0,0,0,0|0,0,2]=4 556 B9R1.22 CN1C=C(C(=N1)CO)Cl Z1198166593 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.22 CN1C=C(C(=N1)Cl)C=O Z1511801752 [0,2,0,0,0,0|0,0,2]=4 558 B9R1.22 CN1C=C(C(=N1)I)C=O Z2718862984 [0,2,0,0,0,0|0,0,2]=4 559 B9R1.22 CN1C=C(C(=N1)N)C#N Z1198305225 [0,2,0,0,0,0|1,0,1]=4 560 B9R1.22 CN1C=C(C(=N1)O)C=O Z2202033640 [0,2,0,0,0,0|0,0,2]=4 561 B9R1.22 CSC1=CN(N=C1N)C Z4738646099 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.22 OCC1=C(SC(=C1)Cl)Cl Z1190319462 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.23 CN1N=C(C=C1N)CO Z1726083922 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.35 CC(=O)C1=CN(N=C1)C Z362768828 [0,2,0,0,0,0|0,0,2]=4 565 B9R1.35 CC(N)C1=CN(C=C1)C Z1216817109 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.35 CC(N)C1=CN(N=C1)C Z362769036 [0,2,0,0,0,0|1,0,0]=3 567 B9R1.35 CC(O)C1=CN(N=C1)C Z756136072 [0,2,0,0,0,0|0,0,0]=2 568 B9R1.35 CC1=CC(=CN1)C(=O)O Z1198267230 [0,2,0,0,0,0|1,0,1]=4 569 B9R1.35 CN1C=C(C=N1)B(O)O Z381541092 [0,2,0,0,0,0|1,0,0]=3 570 B9R1.35 CN1C=C(C=N1)C(=N)N Z1318268687 [0,2,0,0,0,0|1,0,1]=4 571 B9R1.35 CN1C=C(C=N1)C(=O)N Z101186202 [0,2,0,0,0,0|0,0,2]=4 572 B9R1.35 CN1C=C(C=N1)C(=O)O Z99601198 [0,2,0,0,0,0|0,0,1]=3 573 B9R1.35 CN1C=C(C=N1)[N+](=O)[O-] Z821315474 [0,2,0,0,0,0|1,0,1]=4 574 B9R1.35 CN1C=C(N=N1)C(=O)O Z931062830 [0,2,0,0,0,0|1,0,1]=4 575 B9R1.35 CN1C=CC(=C1)C(=O)O Z1198315029 [0,2,0,0,0,0|1,0,1]=4 576 B9R1.35 CN1N=CC(=N1)C(=O)O Z969757392 [0,2,0,0,0,0|1,0,1]=4 577 B9R1.35 O=C(O)C1=CNC(=C1)Br Z1171220840 [0,2,0,0,0,0|1,0,1]=4 578 B9R1.132 CC1=C(C(=CS1)CO)C Z1198310118 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.132 CC1=C(C(=CS1)CO)N Z4895300395 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.132 CC1=C(C=NN1C)C=O Z275170376 [0,2,0,0,0,0|0,0,2]=4 581 B9R1.132 CC1=C(C=NN1C)CN Z275170390 [0,2,0,0,0,0|1,0,0]=3 582 B9R1.132 CC1=C(C=NN1C)CO Z275128446 [0,2,0,0,0,0|0,0,0]=2 583 B9R1.132 CC1=C(N=NN1C)CN Z5620925684 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.132 CN1C(=CN=C1S)CO Z1201619807 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.132 CN1N=CC(=C1Br)C=O Z1255374303 [0,2,0,0,0,0|0,0,2]=4 586 B9R1.132 CN1N=CC(=C1Cl)C=O Z1229645218 [0,2,0,0,0,0|0,0,2]=4 587 B9R1.132 CN1N=CC(=C1F)C=O Z2732445309 [0,2,0,0,0,0|0,0,2]=4 588 B9R1.132 CN1N=CC(=C1N)C#N Z55410313 [0,2,0,0,0,0|1,0,1]=4 589 B9R1.132 CN1N=CC(=C1N)C=O Z1198180926 [0,2,0,0,0,0|0,0,2]=4 590 B9R1.132 CN1NC=C(C1=N)CN Z1318147483 [0,2,0,0,0,0|1,0,1]=4 591 B9R1.11 CNC(=O)C1=CNN=C1 Z432051732 [0,2,0,0,0,0|0,0,2]=4 592 B9R1.11 COC(=O)C1=CNC=C1 Z1203730919 [0,2,0,0,0,0|1,0,1]=4 593 B9R1.11 COC(=O)C1=CNN=C1 Z2235790709 [0,2,0,0,0,0|0,0,1]=3 594 B9R1.11 COC(=O)C1=CNN=N1 Z803145208 [0,2,0,0,0,0|1,0,1]=4 595 B9R1.11 NCC(O)C1=CN=CS1 Z2310732372 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.11 NCC(O)C1=CNC=N1 Z2310707384 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.11 NCC(O)C1=COC=C1 Z1198261509 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.11 NCC(O)C1=CSC=C1 Z330910460 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.11 O=C(CCl)C1=CSN=C1 Z2408375200 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.11 OC[C@@H](O)C1=CNN=N1 Z3482741169 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.19 CC(C)(C)C1=CNN=C1 Z5185509172 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.19 CC(C)(O)C1=NNC=C1 Z3271394109 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.19 CS(=O)(=O)C1=CNN=C1 Z1203134599 [0,2,0,0,0,0|1,0,1]=4 604 B9R1.41 CC(=O)C1=C(NN=C1)C Z336085888 [0,2,0,0,0,0|0,0,2]=4 605 B9R1.41 CC(C)C1=CNN=C1N Z1198316279 [0,2,0,0,0,0|1,0,0]=3 606 B9R1.41 CC(C)C1=CON=C1N Z1707473656 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.41 CC(O)C1=CN=NN1C Z1742094940 [0,2,0,0,0,0|1,0,1]=4 608 B9R1.41 CC1=C(C=CN1)C(=O)O Z1203731440 [0,2,0,0,0,0|1,0,1]=4 609 B9R1.41 CC1=C(C=NN1)C(=O)O Z240985542 [0,2,0,0,0,0|0,0,1]=3 610 B9R1.41 CC1=C(C=NO1)C(=O)O Z227961392 [0,2,0,0,0,0|1,0,1]=4 611 B9R1.41 CC1=C(N=NN1)C(=O)O Z931395754 [0,2,0,0,0,0|1,0,1]=4 612 B9R1.41 CC1=CNC=C1C(=O)O Z385477350 [0,2,0,0,0,0|1,0,1]=4 613 B9R1.41 CC1=NNC=C1[N+](=O)[O-] Z275141432 [0,2,0,0,0,0|1,0,1]=4 614 B9R1.41 CC1=NSC=C1C(=O)O Z1205494031 [0,2,0,0,0,0|1,0,1]=4 615 B9R1.41 NC(=O)C1=C(NN=C1)N Z300087852 [0,2,0,0,0,0|0,0,2]=4 616 B9R1.41 NC1=C(C=NN1)C(=O)O Z221429196 [0,2,0,0,0,0|0,0,1]=3 617 B9R1.41 NC1=C(C=NN1)[N+](=O)[O-] Z1198153899 [0,2,0,0,0,0|1,0,1]=4 618 B9R1.41 O=C(O)C1=CNC=C1Br Z1934401318 [0,2,0,0,0,0|1,0,1]=4 619 B9R1.12 COCCN1C=CN=C1 Z203976416 [0,2,0,0,0,0|2,0,0]=4 620 B9R1.12 NCCCC1=CNN=C1 Z2106603664 [0,2,0,0,0,0|1,0,0]=3 621 B9R1.12 NCCCC1=CNN=N1 Z3379992373 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.12 NCCCC1=CON=C1 Z3022047352 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.12 O=CCCC1=CON=C1 Z2238235999 [0,2,0,0,0,0|1,0,1]=4 624 B9R1.12 OCCCC1=CNC=N1 Z1142681983 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.12 OCCCC1=CNN=C1 Z826006476 [0,2,0,0,0,0|0,0,0]=2 626 B9R1.12 OCCCC1=COC=C1 Z1198265634 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.12 OCCCC1=CSC=C1 Z993012564 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.12 OCCCN1C=CN=C1 Z425794726 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.13 CC(=O)NC1=CNN=C1 Z383458390 [0,2,0,0,0,0|0,0,2]=4 630 B9R1.13 CC(C)OC1=CNN=C1 Z1618144071 [0,2,0,0,0,0|1,0,0]=3 631 B9R1.13 CC(N)CC1=CNN=C1 Z5233405251 [0,2,0,0,0,0|1,0,0]=3 632 B9R1.13 CC(O)CN1C=CN=C1 Z600458136 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.13 CN(C)CC1=CNN=C1 Z5148063728 [0,2,0,0,0,0|1,0,0]=3 634 B9R1.13 O=C(O)CC1=CC=NO1 Z1205495543 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.13 O=C(O)CC1=CN=CN1 Z2738358143 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.13 O=C(O)CC1=CN=CS1 Z1198176810 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.13 O=C(O)CC1=CN=NS1 Z1205495547 [0,2,0,0,0,0|1,0,1]=4 638 B9R1.13 O=C(O)CC1=CNC=C1 Z1154253211 [0,2,0,0,0,0|1,0,0]=3 639 B9R1.13 O=C(O)CC1=CNN=C1 Z2692248932 [0,2,0,0,0,0|0,0,0]=2 640 B9R1.13 O=C(O)CC1=COC=C1 Z1179936188 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.13 O=C(O)CC1=CON=C1 Z600429584 [0,2,0,0,0,0|1,0,0]=3 642 B9R1.13 O=C(O)CC1=CSC=C1 Z56922167 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.13 O=C(O)CC1=CSN=N1 Z1205495044 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.13 O=C(O)CN1C=CN=C1 Z57396183 [0,2,0,0,0,0|2,0,0]=4 645 B9R1.13 O=C(O)CN1C=NN=C1 Z970090372 [0,2,0,0,0,0|1,0,1]=4 646 B9R1.33 CC1=C(C=NO1)/C=N/O Z4303022155 [0,2,0,0,0,0|1,0,1]=4 647 B9R1.33 CC1=C(C=NO1)CCN Z2310699406 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.33 CC1=C(SC=N1)CCO Z104477768 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.33 CC1=NC=CN1CCO Z425794744 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.33 CC1=NNC=C1/C=N/O Z336483312 [0,2,0,0,0,0|0,0,1]=3 651 B9R1.33 CC1=NNC=C1CCN Z4991178728 [0,2,0,0,0,0|1,0,0]=3 652 B9R1.33 CC1=NNN=C1CCN Z4526316913 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.33 CN1N=CC=C1CCO Z1183446153 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.33 CNCC1=CSN=C1C Z4996662980 [0,2,0,0,0,0|2,0,0]=4 655 B9R1.33 NCCC1=CNN=C1O Z4623367325 [0,2,0,0,0,0|1,0,0]=3 656 B9R1.14 CCC1=C(C=NN1)CN Z5442383240 [0,2,0,0,0,0|1,0,0]=3 657 B9R1.14 CCC1=C(C=NN1)CO Z1276700255 [0,2,0,0,0,0|0,0,0]=2 658 B9R1.14 CCC1=C(N=NN1)CN Z4890705675 [0,2,0,0,0,0|2,0,0]=4 659 B9R1.14 CCC1=CON=C1C=O Z2732444199 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.14 CCC1=NNC=C1C=O Z5180578319 [0,2,0,0,0,0|0,0,2]=4 661 B9R1.14 CCN1C=NC=C1CO Z1198164298 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.14 CCN1N=NC=C1CO Z1251355365 [0,2,0,0,0,0|1,0,1]=4 663 B9R1.14 COC1=NNC=C1C=O Z1198187051 [0,2,0,0,0,0|0,0,2]=4 664 B9R1.14 OCC1=CSC=C1CO Z1278923465 [0,2,0,0,0,0|2,0,0]=4 665 B9R1.27 CC1=C(C(=NN1)Br)C=O Z2732631553 [0,2,0,0,0,0|0,0,2]=4 666 B9R1.27 CC1=C(C(=NN1)Cl)C=O Z1255358649 [0,2,0,0,0,0|0,0,2]=4 667 B9R1.27 CC1=C(C(=NN1)N)C#N Z1404601485 [0,2,0,0,0,0|1,0,1]=4 668 B9R1.27 CC1=C(C(=NN1)N)C=O Z1216831784 [0,2,0,0,0,0|0,0,2]=4 669 B9R1.27 CC1=C(C(=NO1)O)CN Z2805875101 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.27 CC1=NNC(=C1C#N)O Z1638523085 [0,2,0,0,0,0|1,0,1]=4 671 B9R1.27 CC1=NNC(=C1C=O)C Z317041700 [0,2,0,0,0,0|0,0,2]=4 672 B9R1.27 CC1=NNC(=C1CO)C Z501748814 [0,2,0,0,0,0|0,0,0]=2 673 B9R1.27 CC1=NOC(=C1CCl)C Z56965858 [0,2,0,0,0,0|2,0,0]=4 674 B9R1.27 CC1=NOC(=C1CS)C Z56347078 [0,2,0,0,0,0|1,1,0]=4 675 B9R1.27 CCC1=C(NC=C1C)C Z1203730732 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.27 CCC1=C(NN=C1C)C Z134873440 [0,2,0,0,0,0|1,0,0]=3 677 B9R1.27 CCC1=C(ON=C1O)C Z2009977600 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.27 CCN1C(=O)NN=C1C Z1198313867 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.27 CCN1C(=O)NN=C1N Z4457796742 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.27 CCN1C(=O)NN=C1S Z57041968 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.27 CN1N=CC(=C1CO)Br Z1216819596 [0,2,0,0,0,0|2,0,0]=4 682 B9R1.27 N#CC1=C(NN=C1N)N Z1203578944 [0,2,0,0,0,0|1,0,1]=4 683 B9R2.2 C1=C(N=NN1)C2CC2 Z2327568966 [0,1,0,1,0,0|2,0,0]=4 684 B9R2.2 C1=CC(=CS1)C2CO2 Z954550900 [0,1,0,1,0,0|2,0,0]=4 685 B9R2.3 C1=C2CNCC2=NN1 Z2335631780 [0,1,0,1,0,0|1,0,0]=3 686 B9R2.3 C1=C2CNCC2=NO1 Z3247780507 [0,1,0,1,0,0|2,0,0]=4 687 B9R2.3 C1=CC2=C(S1)C=NN2 Z1255441058 [0,1,0,1,0,0|1,0,1]=4 688 B9R2.3 C1=NNC2=C1CCC2 Z1198165735 [0,1,0,1,0,0|1,0,0]=3