0 B6R1.2 BrC1=CC=CS1 1362078 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.2 BrC1=CNN=C1 1361121 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 BrC1=CSC=C1 1362079 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 CC1=CC=CO1 2825319 [0,0,0,0,0,0|1,1,0]=2 4 B6R1.2 CC1=CC=CS1 2825522 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.2 CC1=CC=NN1 5009700 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 CC1=CN=CN1 22430348 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 CC1=CSC=C1 2816743 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 CC1=CSC=N1 1287022 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 CC1=NC=CN1 2825323 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 CC1=NNC=C1 2816612 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 CN1C=CC=C1 2825317 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 CN1C=CN=C1 2825324 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 CN1C=NC=N1 2825329 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 ClC1=CC=CS1 2826105 [0,0,0,0,0,0|1,0,0]=1 15 B6R1.2 ClC1=NC=CN1 7135534 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 IC1=CNN=C1 2630934 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 NC1=CC=NN1 1182234 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 NC1=CN=CN1 4666719 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 NC1=CN=NN1 11186464 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 NC1=CN=NN1 7135529 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 NC1=CNN=C1 2212578 [0,0,0,0,0,0|4,0,0]=4 22 B6R1.2 NC1=CNN=N1 4061486 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 NC1=NC=CS1 2825567 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 NC1=NC=NN1 3354136 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 NC1=NC=NS1 1178564 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 NC1=NCCS1 3585968 [0,0,0,0,0,0|2,0,2]=4 27 B6R1.2 NC1=NN=CS1 1333491 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.2 NC1=NNC=C1 2816613 [0,0,0,0,0,0|3,0,0]=3 29 B6R1.2 NC1=NNC=N1 3354135 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 NC1=NNN=C1 4061487 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 NN1C=CN=N1 7064216 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 O=C1C=CCC1 2825320 [0,0,0,0,0,0|1,1,1]=3 33 B6R1.2 S=C1NC=NN1 7110952523 [0,0,0,0,0,0|3,0,1]=4 34 B6R1.2 SC1=NC=CN1 4061582 [0,0,0,0,0,0|2,0,0]=2 35 B6R1.2 SC1=NCCS1 2826121 [0,0,0,0,0,0|1,0,2]=3 36 B6R1.2 SC1=NN=CN1 988462 [0,0,0,0,0,0|3,0,0]=3 37 B5R1.1 C1=CCCC1 22430580 [1,0,0,0,0,0|1,0,2]=4 38 B5R1.1 C1=CNC=N1 5023602 [1,0,0,0,0,0|2,0,0]=3 39 B5R1.1 C1=COC=C1 22430529 [1,0,0,0,0,0|0,1,0]=2 40 B5R1.1 C1=COCC1 22430513 [1,0,0,0,0,0|0,1,2]=4 41 B5R1.1 C1=CSC=C1 2825345 [1,0,0,0,0,0|0,0,0]=1 42 B5R1.1 C1=NC=NN1 6849994 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 CCC1=CC=CS1 2825840 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.1 CCC1=NC=CN1 2816718 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.1 N#CC1=CC=CO1 2825449 [0,1,0,0,0,0|1,1,0]=3 46 B7R1.1 N#CC1=CNC=N1 3663904 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.1 N#CC1=COC=C1 2816687 [0,1,0,0,0,0|3,0,0]=4 48 B7R1.1 N#CC1=CSC=C1 2825739 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.1 N#CC1=CSC=N1 2422131 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.1 NCC1=CC=CN1 7020542628 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.1 NCC1=CC=CO1 1038603 [0,1,0,0,0,0|1,1,0]=3 52 B7R1.1 NCC1=CC=CS1 1038604 [0,1,0,0,0,0|1,0,0]=2 53 B7R1.1 NCC1=NC=CS1 1044145 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.1 O=CC1=CC=CN1 7020420392 [0,1,0,0,0,0|1,1,0]=3 55 B7R1.1 O=CC1=CC=CO1 988493 [0,1,0,0,0,0|0,2,0]=3 56 B7R1.1 O=CC1=CC=CS1 2048717 [0,1,0,0,0,0|0,1,0]=2 57 B7R1.1 O=CC1=CN=CN1 22430527 [0,1,0,0,0,0|2,1,0]=4 58 B7R1.1 O=CC1=CSC=C1 22430573 [0,1,0,0,0,0|2,1,0]=4 59 B7R1.1 OCC1=CC=CO1 2084339 [0,1,0,0,0,0|0,2,0]=3 60 B7R1.1 OCC1=CC=NO1 2128179 [0,1,0,0,0,0|1,2,0]=4 61 B7R1.1 OCC1=COC=C1 2816728 [0,1,0,0,0,0|2,1,0]=4 62 B7R1.1 OCC1=NNC=C1 2652239 [0,1,0,0,0,0|2,1,0]=4 63 B7R1.2 BrC1=CSC(Br)=N1 5005365 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.2 CC1=CC(=O)CC1 2825479 [0,1,0,0,0,0|1,1,1]=4 65 B7R1.2 CC1=CC(C)=NO1 2825493 [0,1,0,0,0,0|2,1,0]=4 66 B7R1.2 CC1=CC(N)=NO1 7119850614 [0,1,0,0,0,0|2,1,0]=4 67 B7R1.2 CC1=CN=C(N)S1 2630832 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.2 CC1=CSC(=O)N1 2825947 [0,1,0,0,0,0|1,1,0]=3 69 B7R1.2 CC1=CSC(Br)=C1 4043755 [0,1,0,0,0,0|1,0,0]=2 70 B7R1.2 CC1=CSC(N)=N1 1436699 [0,1,0,0,0,0|2,0,0]=3 71 B7R1.2 CC1=CSC(O)=N1 3354376 [0,1,0,0,0,0|1,1,0]=3 72 B7R1.2 CC1=NN=C(C)S1 9958140 [0,1,0,0,0,0|3,0,0]=4 73 B7R1.2 CC1=NN=C(S)N1 2825950 [0,1,0,0,0,0|3,0,0]=4 74 B7R1.2 CC1=NNC(N)=C1 1196756 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.2 CC1=NNC(N)=C1 15386131 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.2 CC1=NNC(O)=C1 7118292268 [0,1,0,0,0,0|2,1,0]=4 77 B7R1.2 CC1=NOC(N)=C1 1778555 [0,1,0,0,0,0|2,1,0]=4 78 B7R1.2 CC1=NOC([O-])=C1 6001148 [0,1,0,0,0,0|1,2,0]=4 79 B7R1.2 CC1=NSC(N)=N1 7119988773 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.2 CN1C=C(I)C=N1 2630927 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.2 CN1C=C(N)C=N1 15386135 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.2 ClC1=CC=C(Cl)S1 2829511 [0,1,0,0,0,0|1,0,0]=2 83 B7R1.2 IC1=CN=C(I)N1 5662522 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.2 N=C1CSC(N)=N1 4434600 [0,1,0,0,0,0|2,0,1]=4 85 B7R1.2 N=C1NC(=O)CS1 9078803 [0,1,0,0,0,0|2,0,1]=4 86 B7R1.2 NC1=CSC(N)=N1 11186556 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.2 NC1=NC=C(Br)S1 6849461 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.2 NC1=NN=C(N)S1 7020410037 [0,1,0,0,0,0|3,0,0]=4 89 B7R1.2 NC1=NN=C(O)S1 3664748 [0,1,0,0,0,0|2,1,0]=4 90 B7R1.2 NC1=NN=C(S)S1 3354678 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.2 O=C1C=CC(=O)O1 2825505 [0,1,0,0,0,0|0,2,0]=3 92 B7R1.2 O=C1CSC(=O)N1 7112440002 [0,1,0,0,0,0|1,1,1]=4 93 B7R1.2 O=C1NC(O)=CS1 9078850 [0,1,0,0,0,0|1,1,0]=3 94 B7R1.4 BrC1=COC=C1Br 6921831 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.4 BrC1=CSC=C1Br 22430610 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.4 CC1=C(Br)C=NN1 1361124 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.4 CC1=C(C)SC=N1 1287023 [0,1,0,0,0,0|2,0,0]=3 98 B7R1.4 CC1=NNC=C1N 15386134 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.4 CN1C=CN=C1N 4787230 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.4 CN1C=CN=C1S 0117381080 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.4 CN1N=CC=C1N 2213053 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.4 NN1C=NN=C1S 0109110024 [0,1,0,0,0,0|3,0,0]=4 103 B5R0.1 C=COC(C)=O 2825364 [0,0,1,0,0,0|0,2,1]=4 104 B5R0.1 C\C=C\C(=O)O 5252226 [0,0,1,0,0,0|0,2,1]=4 105 B5R0.2 C=CCSC#N 22430675 [0,0,1,0,0,0|1,0,2]=4 106 B5R0.3 C=CC(=O)OC 2825362 [0,0,1,0,0,0|0,2,1]=4 107 B7R1.3 BrC1=CC=CC=C1 1362060 [0,0,0,0,0,1|2,0,0]=3 108 B7R1.3 BrC1=CC=CN=C1 1361113 [0,0,0,0,0,1|2,0,0]=3 109 B7R1.3 BrC1=CC=NC=C1 1361114 [0,0,0,0,0,1|2,0,0]=3 110 B7R1.3 BrC1=CN=CN=C1 1361115 [0,0,0,0,0,1|3,0,0]=4 111 B7R1.3 BrC1=NC=CC=C1 1361112 [0,0,0,0,0,1|2,0,0]=3 112 B7R1.3 BrC1=NC=CC=N1 2822298 [0,0,0,0,0,1|2,0,0]=3 113 B7R1.3 CC1=CC=CC=C1 3585912 [0,0,0,0,0,1|2,0,0]=3 114 B7R1.3 CC1=CC=NC=C1 2825452 [0,0,0,0,0,1|2,0,0]=3 115 B7R1.3 CC1=CC=NC=N1 5791887 [0,0,0,0,0,1|2,0,0]=3 116 B7R1.3 CC1=CN=CC=C1 2825453 [0,0,0,0,0,1|2,0,0]=3 117 B7R1.3 CC1=NC=CC=C1 2825451 [0,0,0,0,0,1|2,0,0]=3 118 B7R1.3 CC1=NC=CN=C1 2816692 [0,0,0,0,0,1|2,0,0]=3 119 B7R1.3 ClC1=CC=CC=C1 2825843 [0,0,0,0,0,1|2,0,0]=3 120 B7R1.3 ClC1=NC=CC=C1 2825881 [0,0,0,0,0,1|2,0,0]=3 121 B7R1.3 ClC1=NC=CC=N1 2139047 [0,0,0,0,0,1|2,0,0]=3 122 B7R1.3 ClC1=NC=CN=C1 2139102 [0,0,0,0,0,1|2,0,0]=3 123 B7R1.3 FC1=CC=CC=C1 2825477 [0,0,0,0,0,1|2,0,0]=3 124 B7R1.3 IC1=CC=CC=C1 3040212 [0,0,0,0,0,1|2,0,0]=3 125 B7R1.3 IC1=CC=CN=C1 5012913 [0,0,0,0,0,1|2,0,0]=3 126 B7R1.3 NC1=CC=CC=C1 2825450 [0,0,0,0,0,1|2,0,0]=3 127 B7R1.3 NC1=CC=CC=C1 5753507 [0,0,0,0,0,1|2,0,0]=3 128 B7R1.3 NC1=CC=NC=C1 2825458 [0,0,0,0,0,1|2,0,0]=3 129 B7R1.3 NC1=CC=NC=N1 2630850 [0,0,0,0,0,1|2,0,0]=3 130 B7R1.3 NC1=CN=CC=C1 7119850615 [0,0,0,0,0,1|2,0,0]=3 131 B7R1.3 NC1=NC=CC=C1 2825459 [0,0,0,0,0,1|2,0,0]=3 132 B7R1.3 NC1=NC=CC=N1 0125330241 [0,0,0,0,0,1|2,0,0]=3 133 B7R1.3 NC1=NC=CN=C1 2140015 [0,0,0,0,0,1|2,0,0]=3 134 B7R1.3 NC1=NN=CC=N1 2825476 [0,0,0,0,0,1|3,0,0]=4 135 B7R1.3 N[N+]1=CC=NC=C1 12405064 [0,0,0,0,0,1|3,0,0]=4 136 B7R1.3 O=C1C=CC=CN1 2024672 [0,0,0,0,0,1|1,1,0]=3 137 B7R1.3 O=C1C=CCCC1 2816713 [0,0,0,0,0,1|1,1,1]=4 138 B7R1.3 O=C1CSC=CN1 1317167 [0,0,0,0,0,1|1,1,0]=3 139 B7R1.3 OC1=CC=CC=C1 2825456 [0,0,0,0,0,1|1,1,0]=3 140 B7R1.3 OC1=CC=CN=C1 22430584 [0,0,0,0,0,1|1,1,0]=3 141 B7R1.3 SC1=CC=CC=C1 2825764 [0,0,0,0,0,1|1,0,0]=2 142 B7R1.3 SC1=NC=CC=C1 3585967 [0,0,0,0,0,1|1,0,0]=2 143 B7R1.3 SC1=NC=CC=N1 2825817 [0,0,0,0,0,1|1,0,0]=2 144 B7R1.3 [O-][N+]1=CC=CC=C1 6057284 [0,0,0,0,0,1|2,1,0]=4 145 B4R0.1 C=CC(=C)C 22430632 [1,0,1,0,0,0|1,0,0]=3 146 B4R0.1 C=CC(=O)O 2825263 [1,0,1,0,0,0|0,2,0]=4 147 B4R0.1 C=CC(C)=O 4434968 [1,0,1,0,0,0|0,1,1]=4 148 B4R0.1 C=CC(N)=O 2825260 [1,0,1,0,0,0|1,1,0]=4 149 B6R0.4 C=CCSC(N)=[NH2+] 12482943 [0,1,1,0,0,0|2,0,0]=4 150 B6R0.6 O=C\C=C\C=C\[O-] 22430332 [0,1,1,0,0,0|0,2,0]=4 151 B8R1.2 BrCC1=CC=CC=C1 2844339 [0,1,0,0,0,1|2,0,0]=4 152 B8R1.2 C=CC1=CC=NC=C1 2825664 [0,1,0,0,0,1|2,0,0]=4 153 B8R1.2 CCC1=CC=CC=C1 2825676 [0,1,0,0,0,1|2,0,0]=4 154 B8R1.2 CNC1=CC=CC=C1 1366528 [0,1,0,0,0,1|2,0,0]=4 155 B8R1.2 COC1=CC=CC=C1 2825706 [0,1,0,0,0,1|1,1,0]=4 156 B8R1.2 CSC1=CC=CC=C1 2826254 [0,1,0,0,0,1|1,0,0]=3 157 B8R1.2 ClCC1=CC=CC=C1 1778716 [0,1,0,0,0,1|2,0,0]=4 158 B8R1.2 N#CC1=CC=CC=C1 1778585 [0,1,0,0,0,1|2,0,0]=4 159 B8R1.2 N#CC1=CC=CC=N1 2129613 [0,1,0,0,0,1|2,0,0]=4 160 B8R1.2 N#CC1=CC=CN=C1 2129614 [0,1,0,0,0,1|2,0,0]=4 161 B8R1.2 N#CC1=CC=NC=C1 2129615 [0,1,0,0,0,1|2,0,0]=4 162 B8R1.2 N#CC1=NC=CC=N1 3664148 [0,1,0,0,0,1|2,0,0]=4 163 B8R1.2 N#CC1=NC=CN=C1 2816880 [0,1,0,0,0,1|2,0,0]=4 164 B8R1.2 NCC1=CC=CC=C1 1038608 [0,1,0,0,0,1|2,0,0]=4 165 B8R1.2 NCC1=CC=CC=C1 6057147 [0,1,0,0,0,1|2,0,0]=4 166 B8R1.2 NCC1=CC=CN=C1 1038606 [0,1,0,0,0,1|2,0,0]=4 167 B8R1.2 NCC1=CC=NC=C1 1038607 [0,1,0,0,0,1|2,0,0]=4 168 B8R1.2 NNC1=CC=CC=C1 1156632 [0,1,0,0,0,1|2,0,0]=4 169 B8R1.2 NNC1=CC=CC=C1 6057168 [0,1,0,0,0,1|2,0,0]=4 170 B8R1.2 NNC1=NC=CC=C1 1060375 [0,1,0,0,0,1|2,0,0]=4 171 B8R1.2 O=CC1=CC=CC=C1 988591 [0,1,0,0,0,1|1,1,0]=4 172 B8R1.2 O=CC1=CC=CN=C1 2084334 [0,1,0,0,0,1|1,1,0]=4 173 B8R1.2 O=CC1=CC=NC=C1 988524 [0,1,0,0,0,1|1,1,0]=4 174 B8R1.2 O=CC1=NC=CC=C1 2084333 [0,1,0,0,0,1|1,1,0]=4 175 B8R1.2 OCC1=CC=CC=C1 1778593 [0,1,0,0,0,1|1,1,0]=4 176 B8R1.2 SCC1=CC=CC=C1 1972971 [0,1,0,0,0,1|1,0,0]=3 177 B8R1.3 BrC1=CC=C(Br)C=C1 1362076 [0,1,0,0,0,1|2,0,0]=4 178 B8R1.3 CC1=CC=C(Br)C=C1 1287407 [0,1,0,0,0,1|2,0,0]=4 179 B8R1.3 CC1=CC=C(C)C=C1 2825678 [0,1,0,0,0,1|2,0,0]=4 180 B8R1.3 CC1=CC=C(F)C=C1 2825753 [0,1,0,0,0,1|2,0,0]=4 181 B8R1.3 CC1=CC=C(N)C=C1 2825688 [0,1,0,0,0,1|2,0,0]=4 182 B8R1.3 CC1=CC=C(N)C=N1 3488451 [0,1,0,0,0,1|2,0,0]=4 183 B8R1.3 CC1=CC=C(O)C=C1 2825707 [0,1,0,0,0,1|1,1,0]=4 184 B8R1.3 CC1=CC=C(S)C=C1 2826253 [0,1,0,0,0,1|1,0,0]=3 185 B8R1.3 CC1=CN=C(Br)C=C1 2835836 [0,1,0,0,0,1|2,0,0]=4 186 B8R1.3 CC1=CN=C(N)C=C1 2825716 [0,1,0,0,0,1|2,0,0]=4 187 B8R1.3 CC1=CNC(=O)C=C1 2024673 [0,1,0,0,0,1|1,1,0]=4 188 B8R1.3 CC1=NC=C(O)C=C1 2816909 [0,1,0,0,0,1|1,1,0]=4 189 B8R1.3 ClC1=CC=C(Br)C=C1 1287419 [0,1,0,0,0,1|2,0,0]=4 190 B8R1.3 ClC1=CC=C(Cl)C=C1 2828764 [0,1,0,0,0,1|2,0,0]=4 191 B8R1.3 ClC1=CC=C(Cl)N=C1 22430597 [0,1,0,0,0,1|2,0,0]=4 192 B8R1.3 ClC1=NC=C(Br)C=C1 2127455 [0,1,0,0,0,1|2,0,0]=4 193 B8R1.3 ClC1=NC=C(Br)C=N1 3488453 [0,1,0,0,0,1|2,0,0]=4 194 B8R1.3 ClC1=NN=C(Cl)C=C1 2828968 [0,1,0,0,0,1|2,0,0]=4 195 B8R1.3 FC1=CC=C(Br)C=C1 1287410 [0,1,0,0,0,1|2,0,0]=4 196 B8R1.3 FC1=CC=C(F)C=C1 2825887 [0,1,0,0,0,1|2,0,0]=4 197 B8R1.3 NC1=CC=C(Br)C=C1 1362074 [0,1,0,0,0,1|2,0,0]=4 198 B8R1.3 NC1=CC=C(Br)C=N1 7018959928 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.3 NC1=CC=C(Cl)C=C1 1506171 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.3 NC1=CC=C(Cl)C=N1 7119850610 [0,1,0,0,0,1|2,0,0]=4 201 B8R1.3 NC1=CC=C(F)C=C1 1506428 [0,1,0,0,0,1|2,0,0]=4 202 B8R1.3 NC1=CC=C(I)C=C1 2977826 [0,1,0,0,0,1|2,0,0]=4 203 B8R1.3 NC1=CC=C(I)C=N1 0111070071 [0,1,0,0,0,1|2,0,0]=4 204 B8R1.3 NC1=CC=C(N)C=C1 1509975 [0,1,0,0,0,1|2,0,0]=4 205 B8R1.3 NC1=CC=C(O)C=C1 1509977 [0,1,0,0,0,1|1,1,0]=4 206 B8R1.3 NC1=CN=C(Br)C=C1 2205036 [0,1,0,0,0,1|2,0,0]=4 207 B8R1.3 NC1=CN=C(Cl)C=C1 1513452 [0,1,0,0,0,1|2,0,0]=4 208 B8R1.3 NC1=NC=C(Br)C=C1 3585769 [0,1,0,0,0,1|2,0,0]=4 209 B8R1.3 NC1=NC=C(Br)C=N1 2837336 [0,1,0,0,0,1|2,0,0]=4 210 B8R1.3 NC1=NC=C(F)C=C1 1218806 [0,1,0,0,0,1|2,0,0]=4 211 B8R1.3 NC1=NN=C(Cl)C=C1 2826652 [0,1,0,0,0,1|2,0,0]=4 212 B8R1.3 O=C1C=CC(=O)C=C1 2825700 [0,1,0,0,0,1|1,1,0]=4 213 B8R1.3 O=C1C=CC(=O)NN1 2825798 [0,1,0,0,0,1|1,1,0]=4 214 B8R1.3 O=C1C=CC(Br)=CN1 1313838 [0,1,0,0,0,1|1,1,0]=4 215 B8R1.3 O=C1C=CC(F)=CN1 2030881 [0,1,0,0,0,1|1,1,0]=4 216 B8R1.3 OC1=CC=C(Br)C=C1 1506353 [0,1,0,0,0,1|1,1,0]=4 217 B8R1.3 OC1=CC=C(Br)N=C1 5005426 [0,1,0,0,0,1|1,1,0]=4 218 B8R1.3 OC1=CC=C(Cl)C=C1 1506172 [0,1,0,0,0,1|1,1,0]=4 219 B8R1.3 OC1=CC=C(F)C=C1 1506430 [0,1,0,0,0,1|1,1,0]=4 220 B8R1.3 OC1=CC=C(O)C=C1 1194834 [0,1,0,0,0,1|1,1,0]=4 221 B8R1.3 SC1=CC=C(Br)C=C1 2932610 [0,1,0,0,0,1|1,0,0]=3 222 B8R1.3 SC1=CC=C(Cl)C=C1 2828318 [0,1,0,0,0,1|1,0,0]=3 223 B8R1.3 [NH3+]C1=CC=C([NH3+])C=C1 22430635 [0,1,0,0,0,1|2,0,0]=4 224 B8R1.4 BrC1=CN=CC(Br)=C1 3176994 [0,1,0,0,0,1|2,0,0]=4 225 B8R1.4 CC1=CC(=O)NC=C1 1445642 [0,1,0,0,0,1|1,1,0]=4 226 B8R1.4 CC1=CC(C)=NC=C1 2825693 [0,1,0,0,0,1|2,0,0]=4 227 B8R1.4 CC1=CC(C)=NC=N1 5009564 [0,1,0,0,0,1|2,0,0]=4 228 B8R1.4 CC1=CC(Cl)=NC=C1 22430560 [0,1,0,0,0,1|2,0,0]=4 229 B8R1.4 CC1=CC(N)=CC=N1 1496346 [0,1,0,0,0,1|2,0,0]=4 230 B8R1.4 CC1=CC(N)=CC=N1 1500240 [0,1,0,0,0,1|2,0,0]=4 231 B8R1.4 CC1=CC(O)=CC=C1 2825708 [0,1,0,0,0,1|1,1,0]=4 232 B8R1.4 CC1=CC=CC(Br)=C1 1287409 [0,1,0,0,0,1|2,0,0]=4 233 B8R1.4 CC1=CC=CC(C)=C1 2825677 [0,1,0,0,0,1|2,0,0]=4 234 B8R1.4 CC1=CC=CC(C)=N1 2825696 [0,1,0,0,0,1|2,0,0]=4 235 B8R1.4 CC1=CC=CC(Cl)=C1 2826369 [0,1,0,0,0,1|2,0,0]=4 236 B8R1.4 CC1=CC=CC(N)=C1 3585811 [0,1,0,0,0,1|2,0,0]=4 237 B8R1.4 CC1=CC=CC(N)=N1 2825715 [0,1,0,0,0,1|2,0,0]=4 238 B8R1.4 CC1=CC=NC(N)=C1 7015122364 [0,1,0,0,0,1|2,0,0]=4 239 B8R1.4 CC1=CC=NC(O)=N1 3353962 [0,1,0,0,0,1|1,1,0]=4 240 B8R1.4 CC1=CN=CC(Br)=C1 22430615 [0,1,0,0,0,1|2,0,0]=4 241 B8R1.4 CC1=CN=CC(C)=C1 6057011 [0,1,0,0,0,1|2,0,0]=4 242 B8R1.4 CC1=C[N+]([O-])=CC=C1 2825733 [0,1,0,0,0,1|2,0,0]=4 243 B8R1.4 CC1=NC=NC(O)=C1 3354285 [0,1,0,0,0,1|1,1,0]=4 244 B8R1.4 ClC1=CC(Cl)=NC=C1 22430594 [0,1,0,0,0,1|2,0,0]=4 245 B8R1.4 ClC1=CC(Cl)=NC=N1 1661305 [0,1,0,0,0,1|2,0,0]=4 246 B8R1.4 ClC1=CC=CC(Br)=C1 1287418 [0,1,0,0,0,1|2,0,0]=4 247 B8R1.4 ClC1=CC=CC(Cl)=C1 2828765 [0,1,0,0,0,1|2,0,0]=4 248 B8R1.4 ClC1=CC=CC(Cl)=N1 2828869 [0,1,0,0,0,1|2,0,0]=4 249 B8R1.4 ClC1=NC(Cl)=NC=C1 2828969 [0,1,0,0,0,1|2,0,0]=4 250 B8R1.4 FC1=CC=CC(Br)=C1 1903198 [0,1,0,0,0,1|2,0,0]=4 251 B8R1.4 FC1=CC=CC(F)=C1 2825886 [0,1,0,0,0,1|2,0,0]=4 252 B8R1.4 NC1=CC(Br)=CC=C1 1362075 [0,1,0,0,0,1|2,0,0]=4 253 B8R1.4 NC1=CC(Br)=NC=C1 7216640154 [0,1,0,0,0,1|2,0,0]=4 254 B8R1.4 NC1=CC(Cl)=CC=C1 2826459 [0,1,0,0,0,1|2,0,0]=4 255 B8R1.4 NC1=CC(F)=CC=C1 2825774 [0,1,0,0,0,1|2,0,0]=4 256 B8R1.4 NC1=CC(O)=CC=C1 1106784 [0,1,0,0,0,1|1,1,0]=4 257 B8R1.4 NC1=CC=CC(N)=C1 1972927 [0,1,0,0,0,1|2,0,0]=4 258 B8R1.4 NC1=CC=CC(N)=N1 2825734 [0,1,0,0,0,1|2,0,0]=4 259 B8R1.4 NC1=NC(=O)NC=C1 3664347 [0,1,0,0,0,1|1,1,0]=4 260 B8R1.4 NC1=NC(Br)=CC=C1 2213493 [0,1,0,0,0,1|2,0,0]=4 261 B8R1.4 NC1=NC(Cl)=CC=C1 3665787 [0,1,0,0,0,1|2,0,0]=4 262 B8R1.4 NC1=NC=CC(=O)N1 2212901 [0,1,0,0,0,1|1,1,0]=4 263 B8R1.4 NC1=NC=CC(Br)=C1 7110952492 [0,1,0,0,0,1|2,0,0]=4 264 B8R1.4 NC1=NC=CC(Cl)=C1 7110952557 [0,1,0,0,0,1|2,0,0]=4 265 B8R1.4 O=C1C=CC=C(Cl)N1 6849602 [0,1,0,0,0,1|1,1,0]=4 266 B8R1.4 O=C1C=CN=C(S)N1 5973554 [0,1,0,0,0,1|1,0,0]=3 267 B8R1.4 O=C1C=CNC(=O)N1 1312677 [0,1,0,0,0,1|1,1,0]=4 268 B8R1.4 O=C1C=CNC(=S)N1 1287909 [0,1,0,0,0,1|1,0,1]=4 269 B8R1.4 OC1=CC(Br)=CC=C1 1287431 [0,1,0,0,0,1|1,1,0]=4 270 B8R1.4 OC1=CC(Cl)=CC=C1 2826548 [0,1,0,0,0,1|1,1,0]=4 271 B8R1.4 OC1=CC(F)=CC=C1 2825801 [0,1,0,0,0,1|1,1,0]=4 272 B8R1.4 OC1=CC=CC(O)=C1 2825748 [0,1,0,0,0,1|1,1,0]=4 273 B8R1.4 [O-][N+]1=CC=CC(Br)=C1 6850697 [0,1,0,0,0,1|2,0,0]=4 274 B8R1.5 CC1=C(Br)C=CC=C1 1287408 [0,1,0,0,0,1|2,0,0]=4 275 B8R1.5 CC1=C(Br)N=CC=C1 2835840 [0,1,0,0,0,1|2,0,0]=4 276 B8R1.5 CC1=C(C)C=CC=C1 2825679 [0,1,0,0,0,1|2,0,0]=4 277 B8R1.5 CC1=C(Cl)C=CC=C1 2826368 [0,1,0,0,0,1|2,0,0]=4 278 B8R1.5 CC1=C(Cl)N=CC=C1 2817631 [0,1,0,0,0,1|2,0,0]=4 279 B8R1.5 CC1=C(N)C=CC=C1 2825687 [0,1,0,0,0,1|2,0,0]=4 280 B8R1.5 CC1=C(O)C=CC=C1 2825709 [0,1,0,0,0,1|1,1,0]=4 281 B8R1.5 CC1=CC=CC=C1F 2825751 [0,1,0,0,0,1|2,0,0]=4 282 B8R1.5 CC1=CC=CC=C1N 3585807 [0,1,0,0,0,1|2,0,0]=4 283 B8R1.5 CC1=CC=CN=C1N 2825713 [0,1,0,0,0,1|2,0,0]=4 284 B8R1.5 CC1=CC=CNC1=O 1298063 [0,1,0,0,0,1|1,1,0]=4 285 B8R1.5 CC1=NC=CN=C1C 22430620 [0,1,0,0,0,1|2,0,0]=4 286 B8R1.5 ClC1=C(Br)C=CC=N1 7110952626 [0,1,0,0,0,1|2,0,0]=4 287 B8R1.5 ClC1=C(Cl)C=CC=C1 2828763 [0,1,0,0,0,1|2,0,0]=4 288 B8R1.5 FC1=C(Br)C=CC=C1 1287411 [0,1,0,0,0,1|2,0,0]=4 289 B8R1.5 FC1=C(F)C=CC=C1 2825885 [0,1,0,0,0,1|2,0,0]=4 290 B8R1.5 NC1=C(Br)C=CC=N1 7110951380 [0,1,0,0,0,1|2,0,0]=4 291 B8R1.5 NC1=C(Cl)C=CC=N1 7110951381 [0,1,0,0,0,1|2,0,0]=4 292 B8R1.5 NC1=C(Cl)N=CC=C1 7110951374 [0,1,0,0,0,1|2,0,0]=4 293 B8R1.5 NC1=C(F)C=CC=C1 2825775 [0,1,0,0,0,1|2,0,0]=4 294 B8R1.5 NC1=C(N)C=CC=C1 22430366 [0,1,0,0,0,1|2,0,0]=4 295 B8R1.5 NC1=C(N)C=CC=C1 2825714 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.5 NC1=C(O)C=CC=C1 2129098 [0,1,0,0,0,1|1,1,0]=4 297 B8R1.5 NC1=CC=CC=C1Br 1362091 [0,1,0,0,0,1|2,0,0]=4 298 B8R1.5 NC1=CC=CC=C1Cl 2826458 [0,1,0,0,0,1|2,0,0]=4 299 B8R1.5 NC1=CC=CC=C1I 7020410063 [0,1,0,0,0,1|2,0,0]=4 300 B8R1.5 NC1=CC=CC=C1N 5753508 [0,1,0,0,0,1|2,0,0]=4 301 B8R1.5 NC1=NC=CC=C1O 1514722 [0,1,0,0,0,1|1,1,0]=4 302 B8R1.5 OC1=C(Br)C=CC=C1 1287430 [0,1,0,0,0,1|1,1,0]=4 303 B8R1.5 OC1=C(Cl)C=CC=C1 2826547 [0,1,0,0,0,1|1,1,0]=4 304 B8R1.5 OC1=C(F)C=CC=C1 22430483 [0,1,0,0,0,1|1,1,0]=4 305 B8R1.5 OC1=C(I)C=CC=C1 3191832 [0,1,0,0,0,1|1,1,0]=4 306 B8R1.5 OC1=C(O)C=CC=C1 2825747 [0,1,0,0,0,1|1,1,0]=4 307 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 5662452 [0,1,0,0,0,1|2,0,0]=4 308 B8R1.1 CC1=CC=C(C=O)N1 3354275 [0,2,0,0,0,0|1,1,0]=4 309 B8R1.1 CC1=CC=C(CS)O1 5810409 [0,2,0,0,0,0|0,1,0]=3 310 B8R1.1 CC1=CSC(CN)=N1 1044146 [0,2,0,0,0,0|2,0,0]=4 311 B8R1.1 CC1=NC(CCl)=CS1 1060355 [0,2,0,0,0,0|2,0,0]=4 312 B8R1.1 CC1=NC(CN)=CS1 7020617634 [0,2,0,0,0,0|2,0,0]=4 313 B8R1.1 CCC1=CN=C(N)S1 2223233 [0,2,0,0,0,0|2,0,0]=4 314 B8R1.1 CCC1=CN=C(S)N1 7010463 [0,2,0,0,0,0|2,0,0]=4 315 B8R1.1 CCC1=CSC(N)=N1 2220844 [0,2,0,0,0,0|2,0,0]=4 316 B8R1.1 CSC1=NN=C(N)S1 1232943 [0,2,0,0,0,0|2,0,0]=4 317 B8R1.1 NC1=NC(CCl)=CS1 2927454 [0,2,0,0,0,0|2,0,0]=4 318 B8R1.1 NCC1=CC(Cl)=CS1 11639171 [0,2,0,0,0,0|1,0,0]=3 319 B8R1.1 O=CC1=CC=C(Cl)O1 1218908 [0,2,0,0,0,0|0,2,0]=4 320 B8R1.1 O=CC1=CC=C(I)O1 7110951013 [0,2,0,0,0,0|0,2,0]=4 321 B8R1.1 OCC1=CC(Cl)=CS1 11165208 [0,2,0,0,0,0|0,1,0]=3 322 B8R1.7 CC(=O)C1=CC=CO1 1778595 [0,2,0,0,0,0|0,2,0]=4 323 B8R1.7 CC(=O)C1=CC=CS1 14605036 [0,2,0,0,0,0|0,1,0]=3 324 B8R1.7 CC(=O)C1=CN=CS1 2422437 [0,2,0,0,0,0|1,1,0]=4 325 B8R1.7 CC(O)C1=CC=CS1 1366588 [0,2,0,0,0,0|0,1,0]=3 326 B8R1.7 C[C@H](N)C1=NC=CS1 2630925 [0,2,0,0,0,0|2,0,0]=4 327 B8R1.7 N=C(N)C1=CC=CS1 22588250 [0,2,0,0,0,0|1,0,0]=3 328 B8R1.7 NC(=S)C1=CC=CS1 7020331311 [0,2,0,0,0,0|0,0,1]=3 329 B8R1.7 O=C(Cl)C1=CC=CO1 1051704 [0,2,0,0,0,0|0,2,0]=4 330 B8R1.7 O=C(Cl)C1=CC=CS1 1051705 [0,2,0,0,0,0|0,1,0]=3 331 B8R1.7 O=C(O)C1=CC=CN1 2825772 [0,2,0,0,0,0|1,1,0]=4 332 B8R1.7 O=C(O)C1=CC=CO1 2825796 [0,2,0,0,0,0|0,2,0]=4 333 B8R1.7 O=C(O)C1=CC=CS1 1509751 [0,2,0,0,0,0|0,1,0]=3 334 B8R1.7 OB(O)C1=CC=CS1 2817633 [0,2,0,0,0,0|0,1,0]=3 335 B8R1.8 N#CCC1=CC=CS1 1287095 [0,2,0,0,0,0|1,0,0]=3 336 B8R1.8 NCCC1=NC=CS1 1059793 [0,2,0,0,0,0|2,0,0]=4 337 B8R1.8 NCCC1=NC=CS1 3851317 [0,2,0,0,0,0|2,0,0]=4 338 B8R1.8 O=C=NC1=CC=CS1 2214454 [0,2,0,0,0,0|0,1,0]=3 339 B8R1.8 OCCC1=CC=CS1 22430596 [0,2,0,0,0,0|0,1,0]=3 340 B8R1.18 CC1=C(C)SC(N)=N1 7210540018 [0,2,0,0,0,0|2,0,0]=4 341 B8R1.18 CC1=CC(=O)OC1=O 2825795 [0,2,0,0,0,0|0,2,0]=4 342 B8R1.18 ClC1=NC(Cl)=C(Cl)S1 11639259 [0,2,0,0,0,0|2,0,0]=4 343 B8R1.50 CC1=NSC(N)=C1Cl 3668623 [0,2,0,0,0,0|2,0,0]=4