0 B6R1.2 BrC1=CNC=N1 Z1213725191 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 CC1=CC=CN1 Z594218440 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 CC1=CC=CO1 Z104472456 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,0,0,0|1,0,3]=4 4 B6R1.2 CC1=CN=CN1 Z1945707502 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 CC1=CN=CO1 Z1198180653 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 CC1=CNC=C1 Z1203730789 [0,0,0,0,0,0|1,0,1]=2 7 B6R1.2 CC1=CNN=C1 Z600419582 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 CC1=CNN=N1 Z1255358215 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 CC1=COC=N1 Z1198313432 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 CC1=NC=CN1 Z104494990 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 CC1=NNC=C1 Z450469310 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 CC1=NNC=N1 Z939944658 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 CN1C=CC=C1 Z57127895 [0,0,0,0,0,0|1,0,0]=1 14 B6R1.2 CN1C=CC=N1 Z336081430 [0,0,0,0,0,0|2,0,0]=2 15 B6R1.2 CN1C=CN=C1 Z104506032 [0,0,0,0,0,0|0,0,0]=0 16 B6R1.2 CN1C=CN=N1 Z1198221873 [0,0,0,0,0,0|1,0,0]=1 17 B6R1.2 CN1C=NC=N1 Z237493308 [0,0,0,0,0,0|1,0,0]=1 18 B6R1.2 CN1C=NN=C1 Z2216303087 [0,0,0,0,0,0|1,0,0]=1 19 B6R1.2 CN1C=NN=N1 Z1198150919 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 ClC1=CNN=C1 Z275169786 [0,0,0,0,0,0|3,0,0]=3 21 B6R1.2 ClC1=NC=NN1 Z56788868 [0,0,0,0,0,0|4,0,0]=4 22 B6R1.2 ClC1=NNC=C1 Z1255493581 [0,0,0,0,0,0|3,0,1]=4 23 B6R1.2 IC1=CNN=C1 Z1203162050 [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 NC1=CC=NO1 Z415654518 [0,0,0,0,0,0|3,0,0]=3 25 B6R1.2 NC1=CC=NS1 Z2568737642 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 NC1=CN=NS1 Z1116303505 [0,0,0,0,0,0|4,0,0]=4 27 B6R1.2 NC1=CNC=N1 Z3241270014 [0,0,0,0,0,0|3,0,1]=4 28 B6R1.2 NC1=CNN=N1 Z1964347651 [0,0,0,0,0,0|4,0,0]=4 29 B6R1.2 NC1=CSC=C1 Z1962138158 [0,0,0,0,0,0|3,0,0]=3 30 B6R1.2 NC1=CSN=C1 Z2467685283 [0,0,0,0,0,0|3,0,0]=3 31 B6R1.2 NC1=CSN=N1 Z1868316819 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 NC1=NC=NS1 Z1827897976 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 NC1=NN=CN1 Z56866006 [0,0,0,0,0,0|4,0,0]=4 34 B6R1.2 NC1=NN=CO1 Z277559304 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 NC1=NN=CS1 Z56899142 [0,0,0,0,0,0|4,0,0]=4 36 B6R1.2 NC1=NNC=C1 Z240126818 [0,0,0,0,0,0|3,0,1]=4 37 B6R1.2 NC1=NON=C1 Z1203638167 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 NC1=NSN=C1 Z2065788230 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,0,0,0|3,0,1]=4 40 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,0,0,0|3,0,1]=4 41 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,0,0,0|4,0,0]=4 42 B6R1.2 O=C1C=CNN1 Z1198154338 [0,0,0,0,0,0|3,0,1]=4 43 B6R1.2 O=C1C=CSN1 Z1741980421 [0,0,0,0,0,0|4,0,0]=4 44 B6R1.2 OC1=NN=CS1 Z1238571564 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 OC1=NOC=C1 Z1255501207 [0,0,0,0,0,0|4,0,0]=4 46 B6R1.2 OC1=NSN=C1 Z119989398 [0,0,0,0,0,0|4,0,0]=4 47 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,0,0,0|3,0,1]=4 48 B6R1.2 ON1C=CC=N1 Z1198342489 [0,0,0,0,0,0|3,0,0]=3 49 B6R1.2 SC1=NC=NN1 Z56871783 [0,0,0,0,0,0|4,0,0]=4 50 B6R1.2 SC1=NN=CS1 Z104503476 [0,0,0,0,0,0|4,0,0]=4 51 B6R1.2 [S-]C1=CN=NS1 Z1198153122 [0,0,0,0,0,0|4,0,0]=4 52 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,0,0,0|1,0,2]=4 53 B5R1.1 C1=CNC=C1 Z104479036 [1,0,0,0,0,0|1,0,0]=2 54 B5R1.1 C1=CNC=N1 Z104472692 [1,0,0,0,0,0|0,0,0]=1 55 B5R1.1 C1=CNN=C1 Z104507728 [1,0,0,0,0,0|2,0,0]=3 56 B5R1.1 C1=CNN=N1 Z237528494 [1,0,0,0,0,0|1,0,0]=2 57 B5R1.1 C1=NN=CN1 Z104479156 [1,0,0,0,0,0|1,0,0]=2 58 B5R1.1 C1=NN=CS1 Z1198156558 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.1 CCC1=CC=CO1 Z640169748 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.1 CCC1=CNC=N1 Z1203731354 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.1 CCC1=CNN=C1 Z1139192482 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.1 CCC1=NN=CN1 Z2065464313 [0,1,0,0,0,0|3,0,0]=4 63 B7R1.1 CCC1=NNC=C1 Z1238571110 [0,1,0,0,0,0|2,0,1]=4 64 B7R1.1 CCN1C=CC=N1 Z600618624 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.1 CCN1C=CN=C1 Z286789018 [0,1,0,0,0,0|0,0,0]=1 66 B7R1.1 CCN1C=CN=N1 Z4497103939 [0,1,0,0,0,0|1,0,0]=2 67 B7R1.1 CNC1=CNN=C1 Z1313483441 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.1 CNC1=CNN=N1 Z5069198351 [0,1,0,0,0,0|3,0,0]=4 69 B7R1.1 CNC1=NN=CO1 Z235540568 [0,1,0,0,0,0|3,0,0]=4 70 B7R1.1 CNC1=NN=CS1 Z1082870996 [0,1,0,0,0,0|3,0,0]=4 71 B7R1.1 CNC1=NOC=C1 Z2489381644 [0,1,0,0,0,0|3,0,0]=4 72 B7R1.1 COC1=CNN=C1 Z2525138345 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.1 COC1=NN=CS1 Z1642058386 [0,1,0,0,0,0|3,0,0]=4 74 B7R1.1 COC1=NNC=C1 Z2130657375 [0,1,0,0,0,0|2,0,1]=4 75 B7R1.1 COC1=NSC=C1 Z1198333966 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.1 N#CC1=CC=NN1 Z1082448654 [0,1,0,0,0,0|2,0,1]=4 77 B7R1.1 N#CC1=CN=CS1 Z1160900223 [0,1,0,0,0,0|2,0,1]=4 78 B7R1.1 N#CC1=CNC=C1 Z1198155834 [0,1,0,0,0,0|1,0,2]=4 79 B7R1.1 N#CC1=CNN=C1 Z1082448648 [0,1,0,0,0,0|2,0,1]=4 80 B7R1.1 N#CC1=COC=C1 Z1079178908 [0,1,0,0,0,0|2,0,1]=4 81 B7R1.1 N#CC1=CSC=C1 Z57900046 [0,1,0,0,0,0|2,0,1]=4 82 B7R1.1 N#CC1=CSN=C1 Z1216812452 [0,1,0,0,0,0|2,0,1]=4 83 B7R1.1 N#CN1C=CN=C1 Z1255365116 [0,1,0,0,0,0|0,0,1]=2 84 B7R1.1 NCC1=CC=CN1 Z976631692 [0,1,0,0,0,0|3,0,0]=4 85 B7R1.1 NCC1=CC=CS1 Z104485908 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.1 NCC1=CC=NO1 Z1964347782 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.1 NCC1=CC=NS1 Z2310716170 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.1 NCC1=CN=CN1 Z1250100778 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.1 NCC1=CNC=C1 Z1203586194 [0,1,0,0,0,0|1,0,1]=3 90 B7R1.1 NCC1=CNN=C1 Z1198394221 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.1 NCC1=CNN=N1 Z2768172060 [0,1,0,0,0,0|3,0,0]=4 92 B7R1.1 NCC1=COC=C1 Z406680098 [0,1,0,0,0,0|2,0,0]=3 93 B7R1.1 NCC1=CSN=C1 Z2310727787 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.1 NCC1=NC=NO1 Z2310727797 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.1 NCC1=NN=CO1 Z104505014 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.1 NCC1=NN=CS1 Z2738360224 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.1 NCC1=NOC=C1 Z802903300 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.1 NCC1=NON=C1 Z2944173400 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.1 NCC1C=CCC1 Z2768196818 [0,1,0,0,0,0|2,0,1]=4 100 B7R1.1 O=CC1=CNC=C1 Z1154253206 [0,1,0,0,0,0|1,0,2]=4 101 B7R1.1 O=CC1=CNN=C1 Z275127960 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.1 O=CC1=COC=C1 Z1065630348 [0,1,0,0,0,0|2,0,1]=4 103 B7R1.1 O=CC1=CSC=C1 Z57887873 [0,1,0,0,0,0|2,0,1]=4 104 B7R1.1 OCC1=CC=CO1 Z104472794 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.1 OCC1=CC=CS1 Z104478586 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.1 OCC1=CNC=N1 Z234898057 [0,1,0,0,0,0|2,0,1]=4 107 B7R1.1 OCC1=CNN=C1 Z812520032 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.1 OCC1=COC=C1 Z397587426 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.1 OCC1=CSN=N1 Z234897281 [0,1,0,0,0,0|3,0,0]=4 110 B7R1.1 OCC1=NN=CN1 Z2574360328 [0,1,0,0,0,0|3,0,0]=4 111 B7R1.1 OCC1=NOC=C1 Z875021162 [0,1,0,0,0,0|3,0,0]=4 112 B7R1.1 OCN1C=CC=N1 Z1198155714 [0,1,0,0,0,0|2,0,0]=3 113 B7R1.1 OCN1C=NC=N1 Z57071658 [0,1,0,0,0,0|1,0,0]=2 114 B7R1.2 BrC1=CN=C(S1)Br Z1267861077 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.2 BrC1=CSC(=C1)Br Z1245646694 [0,1,0,0,0,0|3,0,0]=4 116 B7R1.2 CC1=CC(=NN1)C Z50145988 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.2 CC1=CC(=NO1)N Z104503828 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.2 CC1=CC(=NS1)N Z1198165856 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,1,0,0,0,0|2,0,1]=4 120 B7R1.2 CC1=CC=C(S1)Br Z1255383262 [0,1,0,0,0,0|3,0,0]=4 121 B7R1.2 CC1=CN=C(N1)O Z2630875693 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.2 CC1=CN=C(O1)N Z994267654 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.2 CC1=CN=C(S1)N Z104500072 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.2 CC1=CNC(=N1)C Z217301646 [0,1,0,0,0,0|2,0,1]=4 125 B7R1.2 CC1=CNC(=N1)N Z2515238565 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.2 CC1=CNC(=N1)S Z1198163268 [0,1,0,0,0,0|2,0,1]=4 127 B7R1.2 CC1=COC(=N1)S Z1416179155 [0,1,0,0,0,0|3,0,0]=4 128 B7R1.2 CC1=CSC(=N1)N Z48847548 [0,1,0,0,0,0|3,0,0]=4 129 B7R1.2 CC1=CSC(=N1)S Z203045926 [0,1,0,0,0,0|3,0,0]=4 130 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.2 CC1=NC(=NO1)N Z1147462977 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.2 CC1=NC(=NS1)N Z1198313987 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.2 CC1=NC=C(S1)N Z951517342 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.2 CC1=NN=C(N1)N Z951367902 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.2 CC1=NN=C(O1)N Z56957510 [0,1,0,0,0,0|3,0,0]=4 136 B7R1.2 CC1=NN=C(O1)S Z55879328 [0,1,0,0,0,0|3,0,0]=4 137 B7R1.2 CC1=NN=C(S1)Br Z431956576 [0,1,0,0,0,0|3,0,0]=4 138 B7R1.2 CC1=NN=C(S1)N Z56900928 [0,1,0,0,0,0|3,0,0]=4 139 B7R1.2 CC1=NN=C(S1)O Z1238571569 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.2 CC1=NN=C(S1)S Z104485716 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.2 CC1=NNC(=C1)N Z55423088 [0,1,0,0,0,0|2,0,1]=4 142 B7R1.2 CC1=NNC(=N1)C Z57161895 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.2 CC1=NOC(=C1)N Z118429566 [0,1,0,0,0,0|3,0,0]=4 144 B7R1.2 CC1=NSC(=C1)N Z204042038 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,1,0,0,0,0|2,0,1]=4 146 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,1,0,0,0,0|2,0,1]=4 147 B7R1.2 CN1C=C(C=N1)Br Z337709426 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.2 CN1C=C(C=N1)I Z957334240 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.2 CN1C=C(C=N1)N Z1741968059 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.2 CN1C=C(C=N1)O Z1258763763 [0,1,0,0,0,0|2,0,0]=3 151 B7R1.2 CN1C=C(N=N1)Br Z1198276396 [0,1,0,0,0,0|1,0,0]=2 152 B7R1.2 CN1C=C(N=N1)N Z2177030666 [0,1,0,0,0,0|1,0,0]=2 153 B7R1.2 CN1C=CC(=N1)O Z1343577415 [0,1,0,0,0,0|2,0,0]=3 154 B7R1.2 CN1C=NC(=C1)N Z2472857442 [0,1,0,0,0,0|0,0,0]=1 155 B7R1.2 CN1C=NC(=N1)N Z57466217 [0,1,0,0,0,0|1,0,0]=2 156 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [0,1,0,0,0,0|1,0,0]=2 157 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,1,0,0,0,0|2,0,1]=4 158 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,0,0,0|1,0,2]=4 159 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,0,0,0|2,0,1]=4 160 B7R1.2 CN1N=NC(=N1)N Z1198158669 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.2 CN1N=NC(=N1)O Z2299388832 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.2 NC1=NC=C(S1)Br Z57032577 [0,1,0,0,0,0|3,0,0]=4 163 B7R1.2 NC1=NC=C(S1)F Z1198184822 [0,1,0,0,0,0|3,0,0]=4 164 B7R1.4 CC1=C(C=CS1)Br Z1201624904 [0,1,0,0,0,0|3,0,0]=4 165 B7R1.4 CC1=C(C=NN1)Cl Z1507502582 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.4 CC1=C(C=NO1)I Z1269175158 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.4 CC1=C(C=NO1)N Z1465461252 [0,1,0,0,0,0|2,0,0]=3 168 B7R1.4 CC1=C(NN=N1)N Z2527856121 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.4 CC1=C(ON=C1)N Z815305382 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.4 CC1=C(SC=N1)N Z1815155510 [0,1,0,0,0,0|3,0,0]=4 171 B7R1.4 CC1=C(SN=C1)N Z3716437679 [0,1,0,0,0,0|2,0,0]=3 172 B7R1.4 CC1=CC=NN1C Z826535916 [0,1,0,0,0,0|2,0,0]=3 173 B7R1.4 CC1=CNC=C1C Z1198162792 [0,1,0,0,0,0|1,0,1]=3 174 B7R1.4 CC1=CON=C1N Z995041844 [0,1,0,0,0,0|2,0,0]=3 175 B7R1.4 CC1=CSC=C1N Z1492796718 [0,1,0,0,0,0|2,0,0]=3 176 B7R1.4 CC1=NN=CN1C Z422646574 [0,1,0,0,0,0|1,0,0]=2 177 B7R1.4 CC1=NNC=C1N Z600615694 [0,1,0,0,0,0|2,0,1]=4 178 B7R1.4 CC1=NOC=C1N Z2466617876 [0,1,0,0,0,0|3,0,0]=4 179 B7R1.4 CC1=NON=C1N Z57948408 [0,1,0,0,0,0|3,0,0]=4 180 B7R1.4 CC1=NSC=C1N Z2737427927 [0,1,0,0,0,0|3,0,0]=4 181 B7R1.4 CN1C=CN=C1Br Z959380970 [0,1,0,0,0,0|0,0,0]=1 182 B7R1.4 CN1C=CN=C1N Z2309759326 [0,1,0,0,0,0|0,0,0]=1 183 B7R1.4 CN1C=CN=C1S Z57901905 [0,1,0,0,0,0|0,0,0]=1 184 B7R1.4 CN1C=CNC1=O Z1198329852 [0,1,0,0,0,0|0,0,1]=2 185 B7R1.4 CN1C=COC1=O Z2732441923 [0,1,0,0,0,0|1,0,0]=2 186 B7R1.4 CN1C=NC=C1Cl Z168874650 [0,1,0,0,0,0|0,0,0]=1 187 B7R1.4 CN1C=NN=C1N Z1692788308 [0,1,0,0,0,0|1,0,0]=2 188 B7R1.4 CN1C=NN=C1S Z56922095 [0,1,0,0,0,0|1,0,0]=2 189 B7R1.4 CN1C=NNC1=O Z1526503443 [0,1,0,0,0,0|1,0,0]=2 190 B7R1.4 CN1CCCC1=O Z104478382 [0,1,0,0,0,0|1,0,2]=4 191 B7R1.4 CN1CCNC1=O Z336079928 [0,1,0,0,0,0|0,0,3]=4 192 B7R1.4 CN1CCSC1=N Z3242405392 [0,1,0,0,0,0|1,0,2]=4 193 B7R1.4 CN1CNCC1=O Z1601562352 [0,1,0,0,0,0|0,0,3]=4 194 B7R1.4 CN1N=CC=C1N Z415654476 [0,1,0,0,0,0|2,0,0]=3 195 B7R1.4 CN1N=CN=C1N Z56757681 [0,1,0,0,0,0|1,0,0]=2 196 B7R1.4 CN1N=CN=C1S Z1655141058 [0,1,0,0,0,0|1,0,0]=2 197 B7R1.4 CN1N=NC=C1N Z4351247746 [0,1,0,0,0,0|1,0,0]=2 198 B7R1.4 CN1N=NC=C1O Z4561746935 [0,1,0,0,0,0|1,0,0]=2 199 B7R1.4 CN1N=NN=C1Cl Z727906904 [0,1,0,0,0,0|2,0,0]=3 200 B7R1.4 CN1N=NN=C1N Z56791607 [0,1,0,0,0,0|2,0,0]=3 201 B7R1.4 CN1N=NN=C1O Z1492395436 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.4 CN1NC=NC1=O Z1582263737 [0,1,0,0,0,0|1,0,0]=2 203 B7R1.4 CN1NN=NC1=S Z262221718 [0,1,0,0,0,0|2,0,0]=3 204 B7R1.4 CN1SC=CC1=O Z3227502095 [0,1,0,0,0,0|2,0,0]=3 205 B7R1.4 C[N+]1=C(SC=C1)N Z56872230 [0,1,0,0,0,0|1,0,1]=3 206 B7R1.4 ClC1=CSC=C1Cl Z1198181374 [0,1,0,0,0,0|3,0,0]=4 207 B7R1.4 NC1=C(C=NN1)F Z3489104737 [0,1,0,0,0,0|3,0,0]=4 208 B7R1.4 NC1=CNN=C1N Z802599594 [0,1,0,0,0,0|3,0,0]=4 209 B7R1.4 NC1=CSC=C1Br Z2235409323 [0,1,0,0,0,0|3,0,0]=4 210 B7R1.4 NC1=NNC=C1Cl Z1741966355 [0,1,0,0,0,0|3,0,0]=4 211 B7R1.4 NC1=NNC=C1I Z1269216483 [0,1,0,0,0,0|3,0,0]=4 212 B7R1.4 NN1C=NN=C1S Z56871613 [0,1,0,0,0,0|2,0,0]=3 213 B7R1.4 OC1=NSC=C1Br Z3243456041 [0,1,0,0,0,0|3,0,0]=4 214 B7R1.14 CC1(C=CCN1)C Z3477416732 [0,1,0,0,0,0|3,0,0]=4 215 B5R0.2 C=C/C=C/CN Z3270208113 [0,0,1,0,0,0|3,0,0]=4 216 B5R0.2 C=CCNCC Z2044769224 [0,0,1,0,0,0|3,0,0]=4 217 B5R0.3 CCN(C)C=O Z1258520870 [0,0,1,0,0,0|1,0,2]=4 218 B7R1.3 BrC1=CN=CN=C1 Z285136922 [0,0,0,0,0,1|2,0,0]=3 219 B7R1.3 BrC1=NC=CN=C1 Z415645016 [0,0,0,0,0,1|2,0,0]=3 220 B7R1.3 BrC1=NN=CC=C1 Z425821176 [0,0,0,0,0,1|3,0,0]=4 221 B7R1.3 CC1=CN=CC=C1 Z104475010 [0,0,0,0,0,1|1,0,0]=2 222 B7R1.3 CC1=CN=NC=C1 Z1255398931 [0,0,0,0,0,1|1,0,0]=2 223 B7R1.3 CC1=NC=CC=C1 Z104472800 [0,0,0,0,0,1|2,0,0]=3 224 B7R1.3 CC1=NC=CN=C1 Z415628164 [0,0,0,0,0,1|1,0,0]=2 225 B7R1.3 CC1=NN=CC=C1 Z1245648324 [0,0,0,0,0,1|2,0,0]=3 226 B7R1.3 C[N+]1=CC=CC=C1 Z57947843 [0,0,0,0,0,1|1,0,1]=3 227 B7R1.3 ClC1=NC=CN=C1 Z104490192 [0,0,0,0,0,1|2,0,0]=3 228 B7R1.3 ClC1=NC=NC=C1 Z1962223597 [0,0,0,0,0,1|2,0,0]=3 229 B7R1.3 ClC1=NN=CC=C1 Z3225948108 [0,0,0,0,0,1|3,0,0]=4 230 B7R1.3 IC1=CN=CN=C1 Z1259106172 [0,0,0,0,0,1|2,0,0]=3 231 B7R1.3 IC1=NC=CN=C1 Z1235940810 [0,0,0,0,0,1|2,0,0]=3 232 B7R1.3 NC1=CC=CC=C1 Z2301541997 [0,0,0,0,0,1|3,0,0]=4 233 B7R1.3 NC1=CC=NC=C1 Z104495272 [0,0,0,0,0,1|2,0,0]=3 234 B7R1.3 NC1=CN=CC=C1 Z104494800 [0,0,0,0,0,1|2,0,0]=3 235 B7R1.3 NC1=CN=CN=C1 Z800187814 [0,0,0,0,0,1|2,0,0]=3 236 B7R1.3 NC1=NC=CC=C1 Z104472278 [0,0,0,0,0,1|3,0,0]=4 237 B7R1.3 NC1=NC=CN=C1 Z56899063 [0,0,0,0,0,1|2,0,0]=3 238 B7R1.3 NC1=NC=NC=C1 Z3244659415 [0,0,0,0,0,1|2,0,0]=3 239 B7R1.3 NC1=NC=NC=N1 Z1165162993 [0,0,0,0,0,1|3,0,0]=4 240 B7R1.3 NC1=NC=NN=C1 Z1203581736 [0,0,0,0,0,1|3,0,0]=4 241 B7R1.3 NC1=NN=CC=C1 Z991531024 [0,0,0,0,0,1|3,0,0]=4 242 B7R1.3 NC1=NN=CC=N1 Z104477884 [0,0,0,0,0,1|3,0,0]=4 243 B7R1.3 N[N+]1=CC=CC=C1 Z56872220 [0,0,0,0,0,1|2,0,1]=4 244 B7R1.3 O=C1C=CC=CN1 Z1245646663 [0,0,0,0,0,1|3,0,0]=4 245 B7R1.3 O=C1C=CC=NN1 Z803153778 [0,0,0,0,0,1|3,0,0]=4 246 B7R1.3 O=C1C=COC=C1 Z586248016 [0,0,0,0,0,1|3,0,0]=4 247 B7R1.3 O=C1C=NC=CN1 Z3225868124 [0,0,0,0,0,1|2,0,0]=3 248 B7R1.3 OC1=CC=CC=C1 Z104473830 [0,0,0,0,0,1|3,0,0]=4 249 B7R1.3 OC1=CN=CC=C1 Z104476790 [0,0,0,0,0,1|2,0,0]=3 250 B7R1.3 OC1=CN=CN=C1 Z1116372083 [0,0,0,0,0,1|2,0,0]=3 251 B7R1.3 OC1=CN=NC=C1 Z2235790619 [0,0,0,0,0,1|2,0,0]=3 252 B7R1.3 OC1=NC=NC=C1 Z314605438 [0,0,0,0,0,1|2,0,0]=3 253 B7R1.3 S=C1C=CNC=N1 Z1258992452 [0,0,0,0,0,1|2,0,1]=4 254 B7R1.3 SC1=NC=CC=C1 Z203045372 [0,0,0,0,0,1|3,0,0]=4 255 B7R1.3 SC1=NC=CN=C1 Z239089534 [0,0,0,0,0,1|2,0,0]=3 256 B4R0.1 C=CC(=C)C Z104474660 [1,0,1,0,0,0|1,0,0]=3 257 B4R0.1 C=CC(C)N Z1446855743 [1,0,1,0,0,0|1,0,1]=4 258 B4R0.1 CN(C)N=O Z1255485177 [1,0,1,0,0,0|1,0,1]=4 259 B6R0.6 C=C/C=C/CCN Z2786180930 [0,1,1,0,0,0|2,0,0]=4 260 B8R1.2 C#CC1=CN=CN=C1 Z1080385536 [0,1,0,0,0,1|1,0,1]=4 261 B8R1.2 CCC1=CC=CC=C1 Z104473632 [0,1,0,0,0,1|2,0,0]=4 262 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [0,1,0,0,0,1|1,0,0]=3 263 B8R1.2 CCC1=CN=CC=C1 Z104476778 [0,1,0,0,0,1|1,0,0]=3 264 B8R1.2 CCC1=NC=CC=C1 Z113558650 [0,1,0,0,0,1|2,0,0]=4 265 B8R1.2 CCC1=NC=NC=C1 Z1198725956 [0,1,0,0,0,1|1,0,0]=3 266 B8R1.2 CCC1=NN=CC=C1 Z1222425026 [0,1,0,0,0,1|2,0,0]=4 267 B8R1.2 CNC1=CC=CC=C1 Z104472478 [0,1,0,0,0,1|2,0,0]=4 268 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [0,1,0,0,0,1|1,0,0]=3 269 B8R1.2 CNC1=NC=NC=C1 Z800212728 [0,1,0,0,0,1|1,0,0]=3 270 B8R1.2 CNC1=NN=CC=C1 Z991530894 [0,1,0,0,0,1|2,0,0]=4 271 B8R1.2 CNC1=NN=CC=N1 Z1198323671 [0,1,0,0,0,1|2,0,0]=4 272 B8R1.2 COC1=CC=CC=C1 Z53833865 [0,1,0,0,0,1|2,0,0]=4 273 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [0,1,0,0,0,1|1,0,0]=3 274 B8R1.2 CSC1=NC=CN=C1 Z1203162104 [0,1,0,0,0,1|1,0,0]=3 275 B8R1.2 N#CC1=CC=NC=C1 Z57899720 [0,1,0,0,0,1|1,0,1]=4 276 B8R1.2 N#CC1=CN=CC=C1 Z57899719 [0,1,0,0,0,1|1,0,1]=4 277 B8R1.2 N#CC1=CN=CN=C1 Z1201619938 [0,1,0,0,0,1|1,0,1]=4 278 B8R1.2 N#CC1=NC=CN=C1 Z448103898 [0,1,0,0,0,1|1,0,1]=4 279 B8R1.2 N#CC1=NC=NC=C1 Z1116387809 [0,1,0,0,0,1|1,0,1]=4 280 B8R1.2 NCC1=CC=CC=C1 Z54748260 [0,1,0,0,0,1|2,0,0]=4 281 B8R1.2 NCC1=CC=NC=C1 Z104474354 [0,1,0,0,0,1|1,0,0]=3 282 B8R1.2 NCC1=CN=CC=C1 Z104474366 [0,1,0,0,0,1|1,0,0]=3 283 B8R1.2 NCC1=CN=CN=C1 Z3244401628 [0,1,0,0,0,1|1,0,0]=3 284 B8R1.2 NCC1=NC=CC=C1 Z104474352 [0,1,0,0,0,1|2,0,0]=4 285 B8R1.2 NCC1=NC=CN=C1 Z241059702 [0,1,0,0,0,1|1,0,0]=3 286 B8R1.2 NCC1=NC=NC=C1 Z254526552 [0,1,0,0,0,1|1,0,0]=3 287 B8R1.2 NCC1=NN=CC=C1 Z1198165902 [0,1,0,0,0,1|2,0,0]=4 288 B8R1.2 O=CC1=CC=NC=C1 Z57161993 [0,1,0,0,0,1|1,0,1]=4 289 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [0,1,0,0,0,1|1,0,1]=4 290 B8R1.2 O=CC1=CN=CN=C1 Z1013450426 [0,1,0,0,0,1|1,0,1]=4 291 B8R1.2 O=CC1=CN=NC=C1 Z1255435509 [0,1,0,0,0,1|1,0,1]=4 292 B8R1.2 O=CC1=NC=CN=C1 Z1013412214 [0,1,0,0,0,1|1,0,1]=4 293 B8R1.2 OCC1=CC=CC=C1 Z104476418 [0,1,0,0,0,1|2,0,0]=4 294 B8R1.2 OCC1=CC=NC=C1 Z335244866 [0,1,0,0,0,1|1,0,0]=3 295 B8R1.2 OCC1=CN=CC=C1 Z104495622 [0,1,0,0,0,1|1,0,0]=3 296 B8R1.2 OCC1=NC=CC=C1 Z57921252 [0,1,0,0,0,1|2,0,0]=4 297 B8R1.3 BrC1=CN=C(C=C1)I Z1269172302 [0,1,0,0,0,1|2,0,0]=4 298 B8R1.3 BrC1=CN=C(N=C1)I Z1192044953 [0,1,0,0,0,1|2,0,0]=4 299 B8R1.3 CC1=CC=C(C=C1)C Z199056432 [0,1,0,0,0,1|2,0,0]=4 300 B8R1.3 CC1=CC=C(C=C1)Cl Z56924546 [0,1,0,0,0,1|2,0,0]=4 301 B8R1.3 CC1=CC=C(C=C1)F Z104473648 [0,1,0,0,0,1|2,0,0]=4 302 B8R1.3 CC1=CC=C(C=C1)N Z57127875 [0,1,0,0,0,1|2,0,0]=4 303 B8R1.3 CC1=CC=C(C=C1)O Z104473818 [0,1,0,0,0,1|2,0,0]=4 304 B8R1.3 CC1=CN=C(C=C1)Br Z415645054 [0,1,0,0,0,1|1,0,0]=3 305 B8R1.3 CC1=CN=C(C=C1)N Z104475374 [0,1,0,0,0,1|1,0,0]=3 306 B8R1.3 CC1=CN=C(C=C1)O Z1255523405 [0,1,0,0,0,1|1,0,0]=3 307 B8R1.3 CC1=CN=C(C=C1)S Z271138132 [0,1,0,0,0,1|1,0,0]=3 308 B8R1.3 CC1=CN=C(N=C1)Br Z1098236936 [0,1,0,0,0,1|1,0,0]=3 309 B8R1.3 CC1=CN=C(N=C1)Cl Z1098236276 [0,1,0,0,0,1|1,0,0]=3 310 B8R1.3 CC1=CN=C(N=C1)F Z1198266630 [0,1,0,0,0,1|1,0,0]=3 311 B8R1.3 CC1=CN=C(N=C1)N Z801565598 [0,1,0,0,0,1|1,0,0]=3 312 B8R1.3 CC1=CN=C(N=C1)S Z1868163321 [0,1,0,0,0,1|1,0,0]=3 313 B8R1.3 CC1=CNC(=O)N=C1 Z1098236277 [0,1,0,0,0,1|1,0,0]=3 314 B8R1.3 CC1=NC=C(C=C1)N Z425834586 [0,1,0,0,0,1|2,0,0]=4 315 B8R1.3 CC1=NC=C(C=C1)O Z838078132 [0,1,0,0,0,1|2,0,0]=4 316 B8R1.3 CC1=NC=C(N=C1)Br Z1198181968 [0,1,0,0,0,1|1,0,0]=3 317 B8R1.3 CC1=NC=C(N=C1)Cl Z1198149378 [0,1,0,0,0,1|1,0,0]=3 318 B8R1.3 CC1=NC=C(N=C1)N Z1198177429 [0,1,0,0,0,1|1,0,0]=3 319 B8R1.3 CC1=NN=C(C=C1)Br Z802822146 [0,1,0,0,0,1|2,0,0]=4 320 B8R1.3 CC1=NN=C(C=C1)Cl Z432063474 [0,1,0,0,0,1|2,0,0]=4 321 B8R1.3 CC1=NN=C(C=C1)F Z1251352426 [0,1,0,0,0,1|2,0,0]=4 322 B8R1.3 CC1=NN=C(C=C1)I Z1209436744 [0,1,0,0,0,1|2,0,0]=4 323 B8R1.3 CC1=NN=C(N=C1)N Z1203578846 [0,1,0,0,0,1|2,0,0]=4 324 B8R1.3 CN1CC=C(CC1)Br Z4896525382 [0,1,0,0,0,1|1,0,1]=4 325 B8R1.3 CN1CN=C(NC1)S Z57980315 [0,1,0,0,0,1|0,0,2]=4 326 B8R1.3 ClC1=CN=C(C=C1)Br Z415645024 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.3 ClC1=CN=C(C=N1)Cl Z1198164590 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.3 ClC1=CN=C(N=C1)Br Z1198342885 [0,1,0,0,0,1|2,0,0]=4 329 B8R1.3 ClC1=CN=C(N=C1)Cl Z1198154633 [0,1,0,0,0,1|2,0,0]=4 330 B8R1.3 ClC1=NC=C(C=C1)Br Z239604476 [0,1,0,0,0,1|2,0,0]=4 331 B8R1.3 ClC1=NC=C(C=N1)Br Z1079244864 [0,1,0,0,0,1|2,0,0]=4 332 B8R1.3 ClC1=NC=C(C=N1)I Z1124375877 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.3 ClC1=NC=C(N=C1)Br Z1198179757 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.3 ClC1=NC=C(N=C1)I Z1269194601 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.3 FC1=CN=C(C=C1)Cl Z1238544557 [0,1,0,0,0,1|2,0,0]=4 336 B8R1.3 FC1=CN=C(N=C1)Cl Z1255465697 [0,1,0,0,0,1|2,0,0]=4 337 B8R1.3 FC1=NC=C(C=C1)Br Z977035742 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.3 FC1=NC=C(C=N1)Cl Z1255462882 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.3 FC1=NC=C(N=C1)Cl Z1198220735 [0,1,0,0,0,1|2,0,0]=4 340 B8R1.3 NC1=CN=C(C=C1)Cl Z335436282 [0,1,0,0,0,1|2,0,0]=4 341 B8R1.3 NC1=CN=C(C=C1)I Z56788762 [0,1,0,0,0,1|2,0,0]=4 342 B8R1.3 NC1=CN=C(C=C1)N Z385438796 [0,1,0,0,0,1|2,0,0]=4 343 B8R1.3 NC1=CN=C(C=C1)O Z385458150 [0,1,0,0,0,1|2,0,0]=4 344 B8R1.3 NC1=CN=C(N=C1)N Z362768106 [0,1,0,0,0,1|2,0,0]=4 345 B8R1.3 NC1=NC=C(C=C1)Br Z57073814 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.3 NC1=NC=C(C=C1)Cl Z104475596 [0,1,0,0,0,1|2,0,0]=4 347 B8R1.3 NC1=NC=C(C=C1)F Z223120142 [0,1,0,0,0,1|2,0,0]=4 348 B8R1.3 NC1=NC=C(C=N1)Br Z729558264 [0,1,0,0,0,1|2,0,0]=4 349 B8R1.3 NC1=NC=C(C=N1)F Z1203579458 [0,1,0,0,0,1|2,0,0]=4 350 B8R1.3 NC1=NC=C(C=N1)I Z1269125822 [0,1,0,0,0,1|2,0,0]=4 351 B8R1.3 NC1=NC=C(C=N1)O Z1198175903 [0,1,0,0,0,1|2,0,0]=4 352 B8R1.3 O=C1N=CC(=CN1)I Z2471547918 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.3 OC1=CN=C(C=C1)Br Z1201622821 [0,1,0,0,0,1|2,0,0]=4 354 B8R1.3 OC1=CN=C(C=C1)I Z1269183606 [0,1,0,0,0,1|2,0,0]=4 355 B8R1.3 OC1=CN=C(C=C1)O Z1198152559 [0,1,0,0,0,1|2,0,0]=4 356 B8R1.3 OC1=NC=C(C=C1)Cl Z2235409237 [0,1,0,0,0,1|2,0,0]=4 357 B8R1.3 OC1=NC=C(C=C1)F Z594267896 [0,1,0,0,0,1|2,0,0]=4 358 B8R1.3 OC1=NC=C(C=C1)I Z1269227573 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.3 SC1=NC=C(C=C1)Cl Z271138142 [0,1,0,0,0,1|2,0,0]=4 360 B8R1.4 BrC1=CC(=CN=C1)I Z1269188472 [0,1,0,0,0,1|2,0,0]=4 361 B8R1.4 BrC1=CN=CC(=C1)Br Z57070461 [0,1,0,0,0,1|2,0,0]=4 362 B8R1.4 CC1=CC(=CC=C1)F Z104474044 [0,1,0,0,0,1|2,0,0]=4 363 B8R1.4 CC1=CC(=CC=C1)N Z57127904 [0,1,0,0,0,1|2,0,0]=4 364 B8R1.4 CC1=CC(=CC=C1)O Z104473820 [0,1,0,0,0,1|2,0,0]=4 365 B8R1.4 CC1=CC(=CN=C1)Br Z1255461727 [0,1,0,0,0,1|1,0,0]=3 366 B8R1.4 CC1=CC(=NC=C1)Br Z851792570 [0,1,0,0,0,1|1,0,0]=3 367 B8R1.4 CC1=CC(=NC=C1)N Z203045032 [0,1,0,0,0,1|1,0,0]=3 368 B8R1.4 CC1=CC(=NC=C1)S Z851791760 [0,1,0,0,0,1|1,0,0]=3 369 B8R1.4 CC1=CC(=NN=C1)Cl Z1201625142 [0,1,0,0,0,1|1,0,0]=3 370 B8R1.4 CC1=CC(=NN=C1)N Z1198278271 [0,1,0,0,0,1|1,0,0]=3 371 B8R1.4 CC1=CC(=NN=C1)O Z1198278270 [0,1,0,0,0,1|1,0,0]=3 372 B8R1.4 CC1=CC(=O)NC=C1 Z1065655286 [0,1,0,0,0,1|1,0,1]=4 373 B8R1.4 CC1=CC=CC(=C1)C Z199056430 [0,1,0,0,0,1|2,0,0]=4 374 B8R1.4 CC1=CC=CC(=N1)C Z104472820 [0,1,0,0,0,1|2,0,0]=4 375 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.4 CC1=NC(=CC=C1)Br Z600403652 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.4 CC1=NC(=CC=C1)N Z104476000 [0,1,0,0,0,1|2,0,0]=4 378 B8R1.4 CC1=NC(=CC=N1)Br Z1013760006 [0,1,0,0,0,1|2,0,0]=4 379 B8R1.4 CC1=NC(=CC=N1)Cl Z445153084 [0,1,0,0,0,1|2,0,0]=4 380 B8R1.4 CC1=NC(=CN=C1)Br Z1255361267 [0,1,0,0,0,1|1,0,0]=3 381 B8R1.4 CC1=NC(=CN=C1)Cl Z1162448376 [0,1,0,0,0,1|1,0,0]=3 382 B8R1.4 CC1=NC(=CN=C1)F Z1862003526 [0,1,0,0,0,1|1,0,0]=3 383 B8R1.4 CC1=NC(=CN=C1)N Z1203578408 [0,1,0,0,0,1|1,0,0]=3 384 B8R1.4 CC1=NC(=NC=C1)Br Z1065587482 [0,1,0,0,0,1|1,0,0]=3 385 B8R1.4 CC1=NC(=NC=C1)Cl Z1065586248 [0,1,0,0,0,1|1,0,0]=3 386 B8R1.4 CC1=NC(=NC=C1)N Z104500640 [0,1,0,0,0,1|1,0,0]=3 387 B8R1.4 CC1=NC(=NC=N1)Cl Z1618143146 [0,1,0,0,0,1|2,0,0]=4 388 B8R1.4 CC1=NC(=NC=N1)N Z1165162631 [0,1,0,0,0,1|2,0,0]=4 389 B8R1.4 CC1=NC(=NN=C1)N Z381019664 [0,1,0,0,0,1|2,0,0]=4 390 B8R1.4 CC1=NC(=O)NC=C1 Z1065584884 [0,1,0,0,0,1|1,0,1]=4 391 B8R1.4 CC1=NC=CC(=C1)[S-] Z3014227847 [0,1,0,0,0,1|2,0,0]=4 392 B8R1.4 CC1=NC=NC(=C1)Br Z787349642 [0,1,0,0,0,1|1,0,0]=3 393 B8R1.4 CC1=NC=NC(=C1)Cl Z787326738 [0,1,0,0,0,1|1,0,0]=3 394 B8R1.4 CC1=NC=NC(=C1)N Z787349196 [0,1,0,0,0,1|1,0,0]=3 395 B8R1.4 CC1=NC=NC(=C1)O Z314661966 [0,1,0,0,0,1|1,0,0]=3 396 B8R1.4 CC1=NN=CC(=C1)N Z2462827969 [0,1,0,0,0,1|2,0,0]=4 397 B8R1.4 ClC1=CC(=NC=N1)Cl Z212050238 [0,1,0,0,0,1|2,0,0]=4 398 B8R1.4 ClC1=CC(=NN=C1)Cl Z1198278268 [0,1,0,0,0,1|2,0,0]=4 399 B8R1.4 ClC1=CN=CC(=N1)Cl Z217291786 [0,1,0,0,0,1|2,0,0]=4 400 B8R1.4 ClC1=NC(=CC=N1)I Z1269134310 [0,1,0,0,0,1|2,0,0]=4 401 B8R1.4 ClC1=NC(=NC=C1)Br Z1201625923 [0,1,0,0,0,1|2,0,0]=4 402 B8R1.4 ClC1=NC(=NC=C1)Cl Z99601188 [0,1,0,0,0,1|2,0,0]=4 403 B8R1.4 ClC1=NC=CC(=C1)Br Z1255461858 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.4 FC1=CC(=CN=C1)I Z1269109329 [0,1,0,0,0,1|2,0,0]=4 405 B8R1.4 FC1=CC(=NN=C1)Cl Z4047446131 [0,1,0,0,0,1|2,0,0]=4 406 B8R1.4 FC1=NC(=CN=C1)Cl Z1255444361 [0,1,0,0,0,1|2,0,0]=4 407 B8R1.4 FC1=NC=NC(=C1)Cl Z1201625301 [0,1,0,0,0,1|2,0,0]=4 408 B8R1.4 NC1=CC(=CN=C1)Cl Z2830704581 [0,1,0,0,0,1|2,0,0]=4 409 B8R1.4 NC1=CC(=CN=C1)F Z1201619910 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.4 NC1=CC(=NC=C1)Cl Z217306542 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.4 NC1=CC(=NC=C1)N Z851810344 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.4 NC1=CC(=NC=C1)O Z851811376 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.4 NC1=CC(=NC=N1)N Z314599008 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.4 NC1=CC(=O)NC=N1 Z800191892 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.4 NC1=CC(=O)NN=C1 Z1198330189 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.4 NC1=CN=CC(=C1)N Z3158827045 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.4 NC1=CN=CC(=O)N1 Z2756879989 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.4 NC1=NC(=CN=C1)Cl Z850999210 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.4 NC1=NC(=NC=C1)N Z856211450 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.4 NC1=NC(=NC=C1)O Z203045338 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.4 NC1=NC=CC(=C1)F Z2513334082 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.4 NC1=NC=CC(=C1)O Z1198164201 [0,1,0,0,0,1|2,0,0]=4 423 B8R1.4 NC1=NC=CC(=O)N1 Z801295650 [0,1,0,0,0,1|2,0,0]=4 424 B8R1.4 O=C1C=C(C=NN1)O Z1198169122 [0,1,0,0,0,1|2,0,0]=4 425 B8R1.4 O=C1C=CN=C(N1)S Z56771015 [0,1,0,0,0,1|2,0,0]=4 426 B8R1.4 OC1=CC(=CN=C1)Br Z1172207821 [0,1,0,0,0,1|2,0,0]=4 427 B8R1.4 OC1=CC(=CN=C1)I Z1269207182 [0,1,0,0,0,1|2,0,0]=4 428 B8R1.4 OC1=CC(=NC=C1)O Z3225946514 [0,1,0,0,0,1|2,0,0]=4 429 B8R1.4 OC1=CN=CC(=C1)O Z1198158915 [0,1,0,0,0,1|2,0,0]=4 430 B8R1.4 SC1=NC(=NC=C1)S Z2311575088 [0,1,0,0,0,1|2,0,0]=4 431 B8R1.4 [O-][N+]1=CC(=NC=C1)Cl Z1255465409 [0,1,0,0,0,1|1,0,1]=4 432 B8R1.5 BrC1=C(C=CN=C1)I Z1269120686 [0,1,0,0,0,1|2,0,0]=4 433 B8R1.5 CC1=C(C=CC=C1)C Z212053190 [0,1,0,0,0,1|2,0,0]=4 434 B8R1.5 CC1=C(C=CC=C1)F Z104474026 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.5 CC1=C(C=CC=C1)N Z57127943 [0,1,0,0,0,1|2,0,0]=4 436 B8R1.5 CC1=C(C=CC=C1)O Z104473822 [0,1,0,0,0,1|2,0,0]=4 437 B8R1.5 CC1=C(C=CC=N1)I Z1269190410 [0,1,0,0,0,1|2,0,0]=4 438 B8R1.5 CC1=C(C=CN=C1)Br Z1201621264 [0,1,0,0,0,1|1,0,0]=3 439 B8R1.5 CC1=C(C=CN=N1)N Z1964347676 [0,1,0,0,0,1|2,0,0]=4 440 B8R1.5 CC1=C(C=NC=C1)Br Z1255379175 [0,1,0,0,0,1|1,0,0]=3 441 B8R1.5 CC1=C(C=NC=C1)N Z625801040 [0,1,0,0,0,1|1,0,0]=3 442 B8R1.5 CC1=C(C=NN=C1)N Z1203587249 [0,1,0,0,0,1|1,0,0]=3 443 B8R1.5 CC1=C(N=CC=C1)Br Z968908232 [0,1,0,0,0,1|1,0,0]=3 444 B8R1.5 CC1=C(N=CC=C1)C Z104472816 [0,1,0,0,0,1|1,0,0]=3 445 B8R1.5 CC1=C(N=CC=C1)N Z203045034 [0,1,0,0,0,1|1,0,0]=3 446 B8R1.5 CC1=C(N=CC=C1)S Z968907338 [0,1,0,0,0,1|1,0,0]=3 447 B8R1.5 CC1=C(N=CC=N1)Br Z1198181977 [0,1,0,0,0,1|1,0,0]=3 448 B8R1.5 CC1=C(N=CC=N1)C Z448248230 [0,1,0,0,0,1|1,0,0]=3 449 B8R1.5 CC1=C(N=CC=N1)Cl Z1198147877 [0,1,0,0,0,1|1,0,0]=3 450 B8R1.5 CC1=C(N=CC=N1)F Z1551948468 [0,1,0,0,0,1|1,0,0]=3 451 B8R1.5 CC1=C(N=CC=N1)N Z3068686273 [0,1,0,0,0,1|1,0,0]=3 452 B8R1.5 CC1=C(N=CC=N1)O Z1198157257 [0,1,0,0,0,1|1,0,0]=3 453 B8R1.5 CC1=C(N=CN=C1)C Z2760929781 [0,1,0,0,0,1|1,0,0]=3 454 B8R1.5 CC1=C(N=CN=C1)Cl Z1198176691 [0,1,0,0,0,1|1,0,0]=3 455 B8R1.5 CC1=C(N=NC=C1)Cl Z1198179855 [0,1,0,0,0,1|1,0,0]=3 456 B8R1.5 CC1=CC=CNC1=O Z1013766914 [0,1,0,0,0,1|1,0,1]=4 457 B8R1.5 CC1=CC=NNC1=O Z3227035121 [0,1,0,0,0,1|1,0,0]=3 458 B8R1.5 CC1=CNC=CC1=N Z1263529539 [0,1,0,0,0,1|1,0,1]=4 459 B8R1.5 CC1=[N+](C=CC=C1)C Z56791140 [0,1,0,0,0,1|1,0,1]=4 460 B8R1.5 CC1=[N+](C=CC=C1)N Z57931449 [0,1,0,0,0,1|2,0,0]=4 461 B8R1.5 CN1C=CC=CC1=S Z56928900 [0,1,0,0,0,1|1,0,0]=3 462 B8R1.5 CN1C=CC=NC1=O Z1198218328 [0,1,0,0,0,1|0,0,0]=2 463 B8R1.5 CN1CCCN=C1N Z2865417319 [0,1,0,0,0,1|0,0,2]=4 464 B8R1.5 C[N+]1=C(C=CC=C1)Br Z56756330 [0,1,0,0,0,1|1,0,1]=4 465 B8R1.5 C[N+]1=C(C=CC=C1)Cl Z104501460 [0,1,0,0,0,1|1,0,1]=4 466 B8R1.5 C[N+]1=C(C=CC=C1)N Z56872249 [0,1,0,0,0,1|1,0,1]=4 467 B8R1.5 ClC1=C(C=CC=N1)Br Z808600354 [0,1,0,0,0,1|2,0,0]=4 468 B8R1.5 ClC1=C(C=NC=C1)Cl Z1575308475 [0,1,0,0,0,1|2,0,0]=4 469 B8R1.5 ClC1=C(C=NC=N1)Br Z1079255426 [0,1,0,0,0,1|2,0,0]=4 470 B8R1.5 ClC1=C(C=NC=N1)I Z1079458538 [0,1,0,0,0,1|2,0,0]=4 471 B8R1.5 ClC1=C(N=CC=C1)Br Z415645050 [0,1,0,0,0,1|2,0,0]=4 472 B8R1.5 ClC1=C(N=CC=C1)Cl Z164708870 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.5 ClC1=C(N=CC=N1)Br Z1255362476 [0,1,0,0,0,1|2,0,0]=4 474 B8R1.5 ClC1=C(N=CC=N1)Cl Z850504018 [0,1,0,0,0,1|2,0,0]=4 475 B8R1.5 ClC1=C(N=CC=N1)I Z1813099369 [0,1,0,0,0,1|2,0,0]=4 476 B8R1.5 ClC1=C(N=CN=C1)Cl Z1198221914 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.5 FC1=C(C=CC=N1)I Z1238548161 [0,1,0,0,0,1|2,0,0]=4 478 B8R1.5 FC1=C(C=CN=C1)I Z1269153298 [0,1,0,0,0,1|2,0,0]=4 479 B8R1.5 FC1=C(N=CC=C1)Br Z997724396 [0,1,0,0,0,1|2,0,0]=4 480 B8R1.5 FC1=C(N=CC=C1)Cl Z850328566 [0,1,0,0,0,1|2,0,0]=4 481 B8R1.5 FC1=C(N=CC=N1)Cl Z1551935456 [0,1,0,0,0,1|2,0,0]=4 482 B8R1.5 FC1=C(N=CN=C1)Cl Z1201625151 [0,1,0,0,0,1|2,0,0]=4 483 B8R1.5 NC1=C(C=CC=N1)I Z363805876 [0,1,0,0,0,1|2,0,0]=4 484 B8R1.5 NC1=C(C=CC=N1)O Z104495292 [0,1,0,0,0,1|2,0,0]=4 485 B8R1.5 NC1=C(C=CN=C1)Cl Z1198095644 [0,1,0,0,0,1|2,0,0]=4 486 B8R1.5 NC1=C(C=CN=C1)O Z370653926 [0,1,0,0,0,1|2,0,0]=4 487 B8R1.5 NC1=C(C=NC=C1)Cl Z56914824 [0,1,0,0,0,1|2,0,0]=4 488 B8R1.5 NC1=C(C=NC=C1)N Z385438794 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.5 NC1=C(C=NC=C1)O Z1664348606 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.5 NC1=C(C=NC=N1)Br Z1198152536 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.5 NC1=C(C=NC=N1)F Z1255487690 [0,1,0,0,0,1|2,0,0]=4 492 B8R1.5 NC1=C(N=CC=C1)Cl Z104475710 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.5 NC1=C(N=CC=C1)N Z385438806 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.5 NC1=C(N=CC=C1)O Z969560564 [0,1,0,0,0,1|2,0,0]=4 495 B8R1.5 NC1=C(N=CC=C1)S Z411993618 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.5 NC1=C(N=CC=N1)N Z1198174211 [0,1,0,0,0,1|2,0,0]=4 497 B8R1.5 NC1=C(N=CC=N1)S Z1203579756 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.5 NC1=C(N=CN=C1)N Z316094270 [0,1,0,0,0,1|2,0,0]=4 499 B8R1.5 NC1=CC=NNC1=O Z3034935799 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.5 NC1=CNC=NC1=O Z2213893347 [0,1,0,0,0,1|2,0,0]=4 501 B8R1.5 NC1=NC=CNC1=O Z3225902419 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.5 O=C1C=CC=CN1O Z1198152560 [0,1,0,0,0,1|2,0,0]=4 503 B8R1.5 O=C1NC=NC=C1Br Z1416282441 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.5 O=C1NC=NC=C1F Z2235386850 [0,1,0,0,0,1|2,0,0]=4 505 B8R1.5 OC1=C(C=CC=N1)F Z850327726 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.5 OC1=C(C=NC=N1)Cl Z1198222685 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.5 OC1=C(N=CC=C1)F Z1198164106 [0,1,0,0,0,1|2,0,0]=4 508 B8R1.5 SC1=C(C=CC=N1)Br Z808603100 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.5 SC1=C(C=CC=N1)Cl Z220567008 [0,1,0,0,0,1|2,0,0]=4 510 B8R1.1 C#CC1=CN(N=C1)C Z1080385590 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.1 C=CC1=CN(N=C1)C Z1238836268 [0,2,0,0,0,0|2,0,0]=4 512 B8R1.1 CC1=CC(=NO1)C#N Z1201624959 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.1 CC1=CC(=NO1)C=O Z1162446008 [0,2,0,0,0,0|2,0,0]=4 514 B8R1.1 CC1=CC(=NO1)CCl Z90122430 [0,2,0,0,0,0|2,0,0]=4 515 B8R1.1 CC1=CN=C(N1)C#N Z2678251399 [0,2,0,0,0,0|2,0,0]=4 516 B8R1.1 CC1=CN=C(O1)C=O Z1198163538 [0,2,0,0,0,0|2,0,0]=4 517 B8R1.1 CC1=CN=C(O1)CN Z1198236438 [0,2,0,0,0,0|2,0,0]=4 518 B8R1.1 CC1=CN=C(O1)CO Z1198313418 [0,2,0,0,0,0|2,0,0]=4 519 B8R1.1 CC1=CN=C(S1)C#N Z1198312937 [0,2,0,0,0,0|2,0,0]=4 520 B8R1.1 CC1=CN=C(S1)C=O Z1037606518 [0,2,0,0,0,0|2,0,0]=4 521 B8R1.1 CC1=CN=C(S1)CN Z994267440 [0,2,0,0,0,0|2,0,0]=4 522 B8R1.1 CC1=COC(=C1)C=O Z1255374618 [0,2,0,0,0,0|2,0,0]=4 523 B8R1.1 CC1=CSC(=C1)C=O Z1255423820 [0,2,0,0,0,0|2,0,0]=4 524 B8R1.1 CC1=CSC(=C1)CN Z2235810231 [0,2,0,0,0,0|2,0,0]=4 525 B8R1.1 CC1=NC=C(S1)CO Z608610310 [0,2,0,0,0,0|2,0,0]=4 526 B8R1.1 CC1=NOC(=C1)CCl Z119990894 [0,2,0,0,0,0|2,0,0]=4 527 B8R1.1 CC1=NOC(=C1)CO Z431951966 [0,2,0,0,0,0|2,0,0]=4 528 B8R1.1 CCC1=CC(=NN1)O Z1198163105 [0,2,0,0,0,0|2,0,0]=4 529 B8R1.1 CCC1=CN=C(O1)N Z994289172 [0,2,0,0,0,0|2,0,0]=4 530 B8R1.1 CCC1=CN=C(S1)N Z851799002 [0,2,0,0,0,0|2,0,0]=4 531 B8R1.1 CCN1C=C(C=N1)O Z1165304366 [0,2,0,0,0,0|2,0,0]=4 532 B8R1.1 CCN1C=C(N=N1)N Z1198175659 [0,2,0,0,0,0|1,0,0]=3 533 B8R1.1 CCN1C=CC(=N1)C Z2696515582 [0,2,0,0,0,0|2,0,0]=4 534 B8R1.1 CCN1C=CC(=N1)O Z2941655720 [0,2,0,0,0,0|2,0,0]=4 535 B8R1.1 CCN1C=C[N+](=C1)C Z2050687912 [0,2,0,0,0,0|0,0,1]=3 536 B8R1.1 CCN1C=NC(=C1)N Z2313530831 [0,2,0,0,0,0|0,0,0]=2 537 B8R1.1 CCN1C=NC(=N1)N Z600615070 [0,2,0,0,0,0|1,0,0]=3 538 B8R1.1 CCN1N=NC(=N1)N Z1198165544 [0,2,0,0,0,0|2,0,0]=4 539 B8R1.1 CN1C=C(C=N1)C#N Z381355294 [0,2,0,0,0,0|2,0,0]=4 540 B8R1.1 CN1C=C(C=N1)C=O Z99601138 [0,2,0,0,0,0|2,0,0]=4 541 B8R1.1 CN1C=C(C=N1)CN Z317041916 [0,2,0,0,0,0|2,0,0]=4 542 B8R1.1 CN1C=C(C=N1)CO Z198954582 [0,2,0,0,0,0|2,0,0]=4 543 B8R1.1 CN1C=C(N=N1)C#N Z1695554419 [0,2,0,0,0,0|1,0,0]=3 544 B8R1.1 CN1C=C(N=N1)C=O Z1013717706 [0,2,0,0,0,0|1,0,0]=3 545 B8R1.1 CN1C=C(N=N1)CN Z2596802308 [0,2,0,0,0,0|1,0,0]=3 546 B8R1.1 CN1C=C(N=N1)CO Z982118318 [0,2,0,0,0,0|1,0,0]=3 547 B8R1.1 CN1C=CC(=C1)C#N Z1198315030 [0,2,0,0,0,0|1,0,0]=3 548 B8R1.1 CN1C=CC(=C1)C=O Z1198160553 [0,2,0,0,0,0|1,0,0]=3 549 B8R1.1 CN1C=CC(=N1)C#N Z1116334547 [0,2,0,0,0,0|2,0,0]=4 550 B8R1.1 CN1C=CC(=N1)C=O Z1065726004 [0,2,0,0,0,0|2,0,0]=4 551 B8R1.1 CN1C=CC(=N1)CN Z2724335171 [0,2,0,0,0,0|2,0,0]=4 552 B8R1.1 CN1C=CC(=N1)CO Z802669186 [0,2,0,0,0,0|2,0,0]=4 553 B8R1.1 CN1C=NC(=C1)C#N Z1116366025 [0,2,0,0,0,0|0,0,0]=2 554 B8R1.1 CN1C=NC(=C1)C=O Z1201622215 [0,2,0,0,0,0|0,0,0]=2 555 B8R1.1 CN1C=NC(=C1)CO Z1137167436 [0,2,0,0,0,0|0,0,0]=2 556 B8R1.1 CN1N=NC(=N1)CN Z1895583562 [0,2,0,0,0,0|2,0,0]=4 557 B8R1.1 CNC1=CN(N=C1)C Z1255523371 [0,2,0,0,0,0|2,0,0]=4 558 B8R1.1 CNC1=NC=C(S1)C Z3333486563 [0,2,0,0,0,0|2,0,0]=4 559 B8R1.1 CNC1=NN(C=C1)C Z1723633645 [0,2,0,0,0,0|2,0,0]=4 560 B8R1.1 CNC1=NOC(=C1)C Z3069017324 [0,2,0,0,0,0|2,0,0]=4 561 B8R1.1 COC1=CC(=NN1)C Z1813157463 [0,2,0,0,0,0|2,0,0]=4 562 B8R1.1 NCC1=CN=C(S1)Cl Z1741976615 [0,2,0,0,0,0|2,0,0]=4 563 B8R1.1 NCC1=CN=C(S1)N Z2989210641 [0,2,0,0,0,0|2,0,0]=4 564 B8R1.1 NCC1=CSC(=C1)Br Z234896703 [0,2,0,0,0,0|2,0,0]=4 565 B8R1.1 OCC1=CSC(=C1)Br Z431952558 [0,2,0,0,0,0|2,0,0]=4 566 B8R1.1 OCN1C=C(C=N1)Br Z1198179991 [0,2,0,0,0,0|2,0,0]=4 567 B8R1.7 CC(=O)C1=CN=CO1 Z1255430875 [0,2,0,0,0,0|2,0,0]=4 568 B8R1.7 CC(=O)C1=CNC=C1 Z1154253452 [0,2,0,0,0,0|1,0,1]=4 569 B8R1.7 CC(=O)C1=CNN=C1 Z1966569327 [0,2,0,0,0,0|2,0,0]=4 570 B8R1.7 CC(=O)C1=COC=C1 Z1137167495 [0,2,0,0,0,0|2,0,0]=4 571 B8R1.7 CC(=O)C1=CSC=C1 Z513734012 [0,2,0,0,0,0|2,0,0]=4 572 B8R1.7 CC(=O)N1C=CN=C1 Z1255402643 [0,2,0,0,0,0|0,0,0]=2 573 B8R1.7 CC(C)C1=CNN=C1 Z2418194166 [0,2,0,0,0,0|2,0,0]=4 574 B8R1.7 CC(C)N1C=CC=N1 Z802540402 [0,2,0,0,0,0|2,0,0]=4 575 B8R1.7 CC(C)N1C=NN=C1 Z1492981085 [0,2,0,0,0,0|1,0,0]=3 576 B8R1.7 CC(N)C1=CC=NN1 Z362020428 [0,2,0,0,0,0|2,0,0]=4 577 B8R1.7 CC(N)C1=CC=NS1 Z2687575410 [0,2,0,0,0,0|2,0,0]=4 578 B8R1.7 CC(N)C1=CNN=C1 Z4606013370 [0,2,0,0,0,0|2,0,0]=4 579 B8R1.7 CC(N)C1=COC=C1 Z1436472920 [0,2,0,0,0,0|2,0,0]=4 580 B8R1.7 CC(N)C1=CSC=C1 Z513796194 [0,2,0,0,0,0|2,0,0]=4 581 B8R1.7 CC(N)C1=CSN=C1 Z3486644530 [0,2,0,0,0,0|2,0,0]=4 582 B8R1.7 C[C@@H](O)C1=CN=CS1 Z1217177234 [0,2,0,0,0,0|2,0,0]=4 583 B8R1.7 FC(F)N1C=CC=N1 Z339274954 [0,2,0,0,0,0|2,0,0]=4 584 B8R1.8 C#CCN1C=CC=C1 Z440631944 [0,2,0,0,0,0|1,0,0]=3 585 B8R1.8 C#CCN1C=CC=N1 Z804946014 [0,2,0,0,0,0|2,0,0]=4 586 B8R1.8 C#CCN1C=CN=C1 Z1258992451 [0,2,0,0,0,0|0,0,0]=2 587 B8R1.8 C=CCN1C=CN=C1 Z104477560 [0,2,0,0,0,0|0,0,0]=2 588 B8R1.8 CCCC1=CNN=C1 Z1263714332 [0,2,0,0,0,0|2,0,0]=4 589 B8R1.8 CCOC1=CNN=C1 Z1726113833 [0,2,0,0,0,0|2,0,0]=4 590 B8R1.8 CNCC1=CNN=C1 Z1267881670 [0,2,0,0,0,0|2,0,0]=4 591 B8R1.8 CNCC1=COC=C1 Z385447092 [0,2,0,0,0,0|2,0,0]=4 592 B8R1.8 CNCC1=CSC=C1 Z57206125 [0,2,0,0,0,0|2,0,0]=4 593 B8R1.8 ClCCN1C=CN=C1 Z94599643 [0,2,0,0,0,0|0,0,0]=2 594 B8R1.8 N#CCC1=CC=NO1 Z90662868 [0,2,0,0,0,0|2,0,0]=4 595 B8R1.8 N#CCC1=CN=CN1 Z1198166128 [0,2,0,0,0,0|2,0,0]=4 596 B8R1.8 N#CCC1=CNN=C1 Z875024638 [0,2,0,0,0,0|2,0,0]=4 597 B8R1.8 N#CCC1=CON=C1 Z600429582 [0,2,0,0,0,0|2,0,0]=4 598 B8R1.8 N#CCC1=CSC=C1 Z111869576 [0,2,0,0,0,0|2,0,0]=4 599 B8R1.8 N#CCN1C=CC=N1 Z295205174 [0,2,0,0,0,0|2,0,0]=4 600 B8R1.8 N#CCN1C=NC=N1 Z295205188 [0,2,0,0,0,0|1,0,0]=3 601 B8R1.8 NCCC1=CC=NS1 Z2768432862 [0,2,0,0,0,0|2,0,0]=4 602 B8R1.8 NCCC1=CNN=C1 Z336080532 [0,2,0,0,0,0|2,0,0]=4 603 B8R1.8 NCCC1=COC=C1 Z2310701825 [0,2,0,0,0,0|2,0,0]=4 604 B8R1.8 NCCN1C=CC=N1 Z271005714 [0,2,0,0,0,0|2,0,0]=4 605 B8R1.8 NCCN1C=CN=C1 Z147642864 [0,2,0,0,0,0|0,0,0]=2 606 B8R1.8 NCCN1C=CN=N1 Z2491107416 [0,2,0,0,0,0|1,0,0]=3 607 B8R1.8 NCCN1C=NC=N1 Z381061410 [0,2,0,0,0,0|1,0,0]=3 608 B8R1.8 NCCN1C=NN=N1 Z2065464306 [0,2,0,0,0,0|2,0,0]=4 609 B8R1.8 NCCN1N=CN=N1 Z2070537934 [0,2,0,0,0,0|2,0,0]=4 610 B8R1.8 O=CCC1=CSC=C1 Z1079442684 [0,2,0,0,0,0|2,0,0]=4 611 B8R1.8 OCCC1=CN=CS1 Z1198334159 [0,2,0,0,0,0|2,0,0]=4 612 B8R1.8 OCCC1=CNN=C1 Z1333876037 [0,2,0,0,0,0|2,0,0]=4 613 B8R1.8 OCCC1=COC=C1 Z1179944659 [0,2,0,0,0,0|2,0,0]=4 614 B8R1.8 OCCC1=CSC=C1 Z397587098 [0,2,0,0,0,0|2,0,0]=4 615 B8R1.8 OCCN1C=CC=N1 Z425794824 [0,2,0,0,0,0|2,0,0]=4 616 B8R1.8 OCCN1C=NC=N1 Z234898253 [0,2,0,0,0,0|1,0,0]=3 617 B8R1.11 C#CC1=CC=NN1C Z1183446001 [0,2,0,0,0,0|2,0,0]=4 618 B8R1.11 CC1=C(C=CO1)CN Z803145352 [0,2,0,0,0,0|2,0,0]=4 619 B8R1.11 CC1=C(C=CO1)CO Z397587324 [0,2,0,0,0,0|2,0,0]=4 620 B8R1.11 CC1=C(C=CS1)CN Z3034293414 [0,2,0,0,0,0|2,0,0]=4 621 B8R1.11 CC1=C(C=NN1)C#N Z1966569994 [0,2,0,0,0,0|2,0,0]=4 622 B8R1.11 CC1=C(C=NN1)CN Z1837077131 [0,2,0,0,0,0|2,0,0]=4 623 B8R1.11 CC1=C(C=NN1)CO Z1198107480 [0,2,0,0,0,0|2,0,0]=4 624 B8R1.11 CC1=C(C=NO1)C=O Z826536276 [0,2,0,0,0,0|2,0,0]=4 625 B8R1.11 CC1=C(C=NO1)CN Z2895200737 [0,2,0,0,0,0|2,0,0]=4 626 B8R1.11 CC1=C(C=NS1)C=O Z1198279981 [0,2,0,0,0,0|2,0,0]=4 627 B8R1.11 CC1=C(N=CN1)C#N Z1203746667 [0,2,0,0,0,0|2,0,0]=4 628 B8R1.11 CC1=C(N=CN1)CN Z1318147471 [0,2,0,0,0,0|2,0,0]=4 629 B8R1.11 CC1=C(N=CN1)CO Z173808378 [0,2,0,0,0,0|2,0,0]=4 630 B8R1.11 CC1=C(N=CO1)C=O Z1198279989 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.11 CC1=C(N=CS1)C=O Z1198279987 [0,2,0,0,0,0|2,0,0]=4 632 B8R1.11 CC1=C(N=CS1)CN Z317098554 [0,2,0,0,0,0|2,0,0]=4 633 B8R1.11 CC1=C(N=CS1)CO Z1198176703 [0,2,0,0,0,0|2,0,0]=4 634 B8R1.11 CC1=C(NN=C1)C#N Z2065811193 [0,2,0,0,0,0|2,0,0]=4 635 B8R1.11 CC1=C(NN=C1)CN Z2865543087 [0,2,0,0,0,0|2,0,0]=4 636 B8R1.11 CC1=C(OC=C1)C=O Z1079442566 [0,2,0,0,0,0|2,0,0]=4 637 B8R1.11 CC1=C(OC=C1)CN Z291234200 [0,2,0,0,0,0|2,0,0]=4 638 B8R1.11 CC1=C(OC=N1)CN Z2939254026 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.11 CC1=C(OC=N1)CO Z1198166472 [0,2,0,0,0,0|2,0,0]=4 640 B8R1.11 CC1=C(ON=C1)C=O Z1198279978 [0,2,0,0,0,0|2,0,0]=4 641 B8R1.11 CC1=C(SC=C1)C#N Z381355194 [0,2,0,0,0,0|2,0,0]=4 642 B8R1.11 CC1=C(SC=C1)C=O Z104477012 [0,2,0,0,0,0|2,0,0]=4 643 B8R1.11 CC1=C(SC=C1)CN Z235352157 [0,2,0,0,0,0|2,0,0]=4 644 B8R1.11 CC1=C(SC=N1)CN Z291234254 [0,2,0,0,0,0|2,0,0]=4 645 B8R1.11 CC1=C(SC=N1)CO Z397587526 [0,2,0,0,0,0|2,0,0]=4 646 B8R1.11 CC1=C(SN=C1)C=O Z1198269531 [0,2,0,0,0,0|2,0,0]=4 647 B8R1.11 CC1=CNC=C1C#N Z1203732959 [0,2,0,0,0,0|1,0,1]=4 648 B8R1.11 CC1=CNC=C1C=O Z1203832675 [0,2,0,0,0,0|1,0,1]=4 649 B8R1.11 CC1=CNN=C1C=O Z2418414008 [0,2,0,0,0,0|2,0,0]=4 650 B8R1.11 CC1=CNN=C1CO Z1898597737 [0,2,0,0,0,0|2,0,0]=4 651 B8R1.11 CC1=COC=C1CN Z5616265876 [0,2,0,0,0,0|2,0,0]=4 652 B8R1.11 CC1=CON=C1C=O Z1198279956 [0,2,0,0,0,0|2,0,0]=4 653 B8R1.11 CC1=CSC=C1C#N Z1255398661 [0,2,0,0,0,0|2,0,0]=4 654 B8R1.11 CC1=CSC=C1C=O Z1201623037 [0,2,0,0,0,0|2,0,0]=4 655 B8R1.11 CC1=CSC=C1CN Z1345189827 [0,2,0,0,0,0|2,0,0]=4 656 B8R1.11 CC1=CSN=C1C=O Z1198279979 [0,2,0,0,0,0|2,0,0]=4 657 B8R1.11 CC1=NC=CN1C#N Z1198314041 [0,2,0,0,0,0|0,0,1]=3 658 B8R1.11 CCC1=CNN=C1N Z1741979116 [0,2,0,0,0,0|2,0,0]=4 659 B8R1.11 CCC1=CSC=C1N Z4935394961 [0,2,0,0,0,0|2,0,0]=4 660 B8R1.11 CCC1=NN=CN1C Z992282430 [0,2,0,0,0,0|1,0,0]=3 661 B8R1.11 CCN1C=CN=C1N Z594268182 [0,2,0,0,0,0|0,0,0]=2 662 B8R1.11 CCN1C=CN=C1S Z220434788 [0,2,0,0,0,0|0,0,0]=2 663 B8R1.11 CCN1C=CNC1=O Z1198329853 [0,2,0,0,0,0|0,0,1]=3 664 B8R1.11 CCN1C=NN=C1C Z992282678 [0,2,0,0,0,0|1,0,0]=3 665 B8R1.11 CCN1C=NN=C1N Z2027049489 [0,2,0,0,0,0|1,0,0]=3 666 B8R1.11 CCN1C=NN=C1O Z1492982064 [0,2,0,0,0,0|1,0,0]=3 667 B8R1.11 CCN1C=NN=C1S Z99599580 [0,2,0,0,0,0|1,0,0]=3 668 B8R1.11 CCN1N=CC=C1N Z56347291 [0,2,0,0,0,0|2,0,0]=4 669 B8R1.11 CCN1N=CCC1=O Z3477438900 [0,2,0,0,0,0|2,0,0]=4 670 B8R1.11 CCN1N=NN=C1S Z118308210 [0,2,0,0,0,0|2,0,0]=4 671 B8R1.11 CN1C=CC=C1C#N Z56766658 [0,2,0,0,0,0|1,0,0]=3 672 B8R1.11 CN1C=CC=C1C=O Z104485562 [0,2,0,0,0,0|1,0,0]=3 673 B8R1.11 CN1C=CC=C1CN Z362827744 [0,2,0,0,0,0|1,0,0]=3 674 B8R1.11 CN1C=CN=C1C#N Z1116403969 [0,2,0,0,0,0|0,0,0]=2 675 B8R1.11 CN1C=CN=C1C=O Z363989438 [0,2,0,0,0,0|0,0,0]=2 676 B8R1.11 CN1C=CN=C1CCl Z90122361 [0,2,0,0,0,0|0,0,0]=2 677 B8R1.11 CN1C=CN=C1CN Z235536854 [0,2,0,0,0,0|0,0,0]=2 678 B8R1.11 CN1C=CN=C1CO Z212169576 [0,2,0,0,0,0|0,0,0]=2 679 B8R1.11 CN1C=NC=C1C#N Z1201623260 [0,2,0,0,0,0|0,0,0]=2 680 B8R1.11 CN1C=NC=C1C=O Z1065768466 [0,2,0,0,0,0|0,0,0]=2 681 B8R1.11 CN1C=NC=C1CN Z1198266141 [0,2,0,0,0,0|0,0,0]=2 682 B8R1.11 CN1C=NC=C1CO Z1115775402 [0,2,0,0,0,0|0,0,0]=2 683 B8R1.11 CN1C=NN=C1CN Z317027588 [0,2,0,0,0,0|1,0,0]=3 684 B8R1.11 CN1C=NN=C1NN Z56792015 [0,2,0,0,0,0|1,0,0]=3 685 B8R1.11 CN1N=CC=C1C=O Z325191230 [0,2,0,0,0,0|2,0,0]=4 686 B8R1.11 CN1N=CC=C1CN Z316122740 [0,2,0,0,0,0|2,0,0]=4 687 B8R1.11 CN1N=CC=C1CO Z501748978 [0,2,0,0,0,0|2,0,0]=4 688 B8R1.11 CN1N=CN=C1CO Z2786104722 [0,2,0,0,0,0|1,0,0]=3 689 B8R1.11 CN1N=NC=C1CN Z2111525634 [0,2,0,0,0,0|1,0,0]=3 690 B8R1.11 CN1N=NC=C1CO Z1251355468 [0,2,0,0,0,0|1,0,0]=3 691 B8R1.11 CN1N=NN=C1CO Z1504687526 [0,2,0,0,0,0|2,0,0]=4 692 B8R1.11 CNC1=CC=NN1C Z1259162018 [0,2,0,0,0,0|2,0,0]=4 693 B8R1.11 CNC1=NN=NN1C Z1095338548 [0,2,0,0,0,0|2,0,0]=4 694 B8R1.11 COC1=C(C=NN1)N Z3243444154 [0,2,0,0,0,0|2,0,0]=4 695 B8R1.11 COC1=NNC=C1C Z2943419549 [0,2,0,0,0,0|2,0,0]=4 696 B8R1.11 CSC1=CNN=C1N Z802600050 [0,2,0,0,0,0|2,0,0]=4 697 B8R1.11 CSC1=NC=CN1C Z18499760 [0,2,0,0,0,0|0,0,0]=2 698 B8R1.11 CSC1=NCCN1C Z1269243967 [0,2,0,0,0,0|0,0,2]=4 699 B8R1.11 NCC1=C(C=NN1)Br Z1263824426 [0,2,0,0,0,0|2,0,0]=4 700 B8R1.11 NCC1=C(SC=C1)Cl Z4459561724 [0,2,0,0,0,0|2,0,0]=4 701 B8R1.11 NCC1=C(SC=C1)I Z4912253513 [0,2,0,0,0,0|2,0,0]=4 702 B8R1.18 CC1=C(NC(=N1)N)C Z2418413556 [0,2,0,0,0,0|2,0,0]=4 703 B8R1.18 CC1=C(NC(=N1)S)C Z1198163261 [0,2,0,0,0,0|2,0,0]=4 704 B8R1.18 CC1=C(OC(=N1)N)C Z85932429 [0,2,0,0,0,0|2,0,0]=4 705 B8R1.18 CC1=C(OC(=N1)S)C Z234904536 [0,2,0,0,0,0|2,0,0]=4 706 B8R1.18 CC1=C(SC(=N1)Cl)C Z1037582644 [0,2,0,0,0,0|2,0,0]=4 707 B8R1.18 CC1=C(SC(=N1)N)C Z48847528 [0,2,0,0,0,0|2,0,0]=4 708 B8R1.18 CC1=C(SC(=N1)S)C Z1198148053 [0,2,0,0,0,0|2,0,0]=4 709 B8R1.18 CC1=CC(=C(S1)Br)C Z1255397918 [0,2,0,0,0,0|2,0,0]=4 710 B8R1.18 CC1=CC(=NN1C)C Z1201023055 [0,2,0,0,0,0|2,0,0]=4 711 B8R1.18 CC1=CC(=NN1C)N Z995041200 [0,2,0,0,0,0|2,0,0]=4 712 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,2,0,0,0,0|2,0,0]=4 713 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [0,2,0,0,0,0|0,0,1]=3 714 B8R1.18 CC1=NC(=C(N1)C)C Z2785909774 [0,2,0,0,0,0|2,0,0]=4 715 B8R1.18 CC1=NC(=NN1C)N Z1198175662 [0,2,0,0,0,0|1,0,0]=3 716 B8R1.18 CC1=NN(C(=C1)N)C Z55423092 [0,2,0,0,0,0|2,0,0]=4 717 B8R1.18 CC1=NN(C(=N1)N)C Z56757682 [0,2,0,0,0,0|1,0,0]=3 718 B8R1.18 CC1=NN(C(=O)C1)C Z50146885 [0,2,0,0,0,0|2,0,0]=4 719 B8R1.18 CC1=NN(C=C1Br)C Z2235790808 [0,2,0,0,0,0|2,0,0]=4 720 B8R1.18 CC1=NN(C=C1N)C Z1742055027 [0,2,0,0,0,0|2,0,0]=4 721 B8R1.18 CC1=NN(C=C1O)C Z4131782830 [0,2,0,0,0,0|2,0,0]=4 722 B8R1.18 CC1SC(=NC1=O)N Z57104427 [0,2,0,0,0,0|2,0,0]=4 723 B8R1.18 CN1C=C(C(=N1)N)Br Z763567892 [0,2,0,0,0,0|2,0,0]=4 724 B8R1.18 CN1C=C(C(=N1)N)Cl Z1188260175 [0,2,0,0,0,0|2,0,0]=4 725 B8R1.18 CN1C=C(C(=N1)N)I Z1681352115 [0,2,0,0,0,0|2,0,0]=4 726 B8R1.18 CN1C=C(C(=N1)N)N Z2106609675 [0,2,0,0,0,0|2,0,0]=4 727 B8R1.18 CN1C=C(C(=N1)O)Br Z2182014972 [0,2,0,0,0,0|2,0,0]=4 728 B8R1.18 CN1C=C(C(=N1)O)I Z3477155313 [0,2,0,0,0,0|2,0,0]=4 729 B8R1.18 CN1C=C(C=C1N)Br Z4121492788 [0,2,0,0,0,0|1,0,0]=3 730 B8R1.18 CN1C=C(N=C1N)O Z104500556 [0,2,0,0,0,0|0,0,0]=2 731 B8R1.18 CN1CC(=NC1=O)N Z1203653661 [0,2,0,0,0,0|0,0,1]=3 732 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,2,0,0,0,0|0,0,2]=4 733 B8R1.18 CN1N=C(SC1=O)N Z1203580580 [0,2,0,0,0,0|2,0,0]=4 734 B8R1.18 CN1NC(=N)CC1=O Z1197987885 [0,2,0,0,0,0|2,0,0]=4 735 B8R1.18 CN1NC(=O)C=C1N Z361888728 [0,2,0,0,0,0|2,0,0]=4 736 B8R1.18 CN1NC(=O)N=C1S Z217165566 [0,2,0,0,0,0|1,0,0]=3 737 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [0,2,0,0,0,0|1,0,1]=4 738 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,2,0,0,0,0|2,0,0]=4 739 B8R1.50 CC1=C(C(=NN1)N)I Z367451156 [0,2,0,0,0,0|2,0,0]=4 740 B8R1.50 CC1=C(C(=NO1)N)C Z1198162059 [0,2,0,0,0,0|2,0,0]=4 741 B8R1.50 CC1=C(C=NN1C)Br Z1198224382 [0,2,0,0,0,0|2,0,0]=4 742 B8R1.50 CC1=C(C=NN1C)I Z1269221703 [0,2,0,0,0,0|2,0,0]=4 743 B8R1.50 CC1=C(C=NN1C)N Z235263805 [0,2,0,0,0,0|2,0,0]=4 744 B8R1.50 CC1=C(N(C=N1)C)N Z951327034 [0,2,0,0,0,0|0,0,0]=2 745 B8R1.50 CC1=C(N(N=C1)C)N Z2106610991 [0,2,0,0,0,0|2,0,0]=4 746 B8R1.50 CC1=C(N=NN1C)N Z2326994790 [0,2,0,0,0,0|1,0,0]=3 747 B8R1.50 CC1=C(NN=C1N)N Z2177031148 [0,2,0,0,0,0|2,0,0]=4 748 B8R1.50 CC1=C(SC=C1Br)Br Z1269129060 [0,2,0,0,0,0|2,0,0]=4 749 B8R1.50 CC1=CNC(=C1C)C Z1162450215 [0,2,0,0,0,0|1,0,1]=4 750 B8R1.50 CC1=CSC(=[N+]1C)N Z56872232 [0,2,0,0,0,0|1,0,1]=4 751 B8R1.50 CC1=NC=C(N1C)Br Z1201623659 [0,2,0,0,0,0|0,0,0]=2 752 B8R1.50 CC1=NC=C(N1C)N Z2310678658 [0,2,0,0,0,0|0,0,0]=2 753 B8R1.50 CC1=NN=C(N1C)N Z1688198430 [0,2,0,0,0,0|1,0,0]=3 754 B8R1.50 CC1=NN=C(N1C)S Z56943709 [0,2,0,0,0,0|1,0,0]=3 755 B8R1.50 CC1=NN=C(N1N)C Z56791936 [0,2,0,0,0,0|2,0,0]=4 756 B8R1.50 CC1=NN=C(N1N)S Z56800650 [0,2,0,0,0,0|2,0,0]=4 757 B8R1.50 CC1=NNC(=C1Br)C Z275169976 [0,2,0,0,0,0|2,0,0]=4 758 B8R1.50 CC1=NNC(=C1C)C Z50145985 [0,2,0,0,0,0|2,0,0]=4 759 B8R1.50 CC1=NNC(=C1C)N Z385386488 [0,2,0,0,0,0|2,0,0]=4 760 B8R1.50 CC1=NNC(=C1Cl)C Z3020185376 [0,2,0,0,0,0|2,0,0]=4 761 B8R1.50 CC1=NNC(=C1N)C Z56761496 [0,2,0,0,0,0|2,0,0]=4 762 B8R1.50 CC1=NNC(=C1O)C Z1255485863 [0,2,0,0,0,0|2,0,0]=4 763 B8R1.50 CC1=NNC(=O)N1C Z1504678222 [0,2,0,0,0,0|1,0,0]=3 764 B8R1.50 CC1=NOC(=C1Br)C Z372796498 [0,2,0,0,0,0|2,0,0]=4 765 B8R1.50 CC1=NSC(=C1I)C Z1783198803 [0,2,0,0,0,0|2,0,0]=4 766 B8R1.50 CN1C(=N)NCC1=O Z2526439738 [0,2,0,0,0,0|0,0,2]=4 767 B8R1.50 CN1C(=NN=C1S)N Z317098536 [0,2,0,0,0,0|1,0,0]=3 768 B8R1.50 CN1C(=O)C=CC1=O Z203053858 [0,2,0,0,0,0|1,0,0]=3 769 B8R1.50 CN1C(=O)CN=C1S Z3219957196 [0,2,0,0,0,0|0,0,1]=3 770 B8R1.50 CN1C(=O)CNC1=O Z54599682 [0,2,0,0,0,0|0,0,2]=4 771 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,2,0,0,0,0|1,0,1]=4 772 B8R1.50 CN1C(=O)NN=C1N Z1203584694 [0,2,0,0,0,0|1,0,0]=3 773 B8R1.50 CN1C(=O)NN=C1S Z57052866 [0,2,0,0,0,0|1,0,0]=3 774 B8R1.50 CN1C(=O)NNC1=O Z1117899218 [0,2,0,0,0,0|1,0,1]=4 775 B8R1.50 CN1N=CC(=C1N)Br Z2238829052 [0,2,0,0,0,0|2,0,0]=4 776 B8R1.50 CN1N=CC(=C1N)Cl Z4947384299 [0,2,0,0,0,0|2,0,0]=4 777 B8R1.50 CN1N=CC(=C1N)F Z3409960609 [0,2,0,0,0,0|2,0,0]=4 778 B8R1.50 CN1N=CC(=C1N)I Z1397931305 [0,2,0,0,0,0|2,0,0]=4 779 B8R1.50 NC1=NN=C(N1N)N Z56790725 [0,2,0,0,0,0|2,0,0]=4 780 B6R1.1 C1=CC=NC=C1 Z56899837 [0,0,1,1,0,0|1,0,1]=4 781 B6R1.1 C1=CCNCC1 Z1623864216 [0,0,1,1,0,0|1,0,1]=4 782 B6R1.1 C1=CCONC1 Z1486018651 [0,0,1,1,0,0|2,0,0]=4 783 B6R1.1 C1=NCCCN1 Z1198163087 [0,0,1,1,0,0|0,0,2]=4