0 B5R1.1 C1=CNC=N1 SBB040815 [0,0,0,0,0,0|1,0,3]=4 1 B5R1.1 C1=CNN=C1 SBB059844 [0,0,0,0,0,0|1,0,3]=4 2 B5R1.1 C1=CNN=N1 SBB058566 [0,0,0,0,0,0|2,0,2]=4 3 B5R1.1 C1=NC=NN1 SBB040922 [0,0,0,0,0,0|2,0,2]=4 4 B5R1.1 C1CSCN1 SBB111928 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.2 BrC1CCCC1 SBB040823 [0,1,0,0,0,0|1,0,0]=2 6 B6R1.2 CC1=NCCN1 SBB040067 [0,1,0,0,0,0|1,0,1]=3 7 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,1,0,0,0,0|0,0,0]=1 8 B6R1.2 N1CCC(N)C1 SBB027337 [0,1,0,0,0,0|0,0,0]=1 9 B6R1.2 NC1=CCNN1 SBB023708 [0,1,0,0,0,0|1,0,2]=4 10 B6R1.2 NC1=NCCN1 SBB300496 [0,1,0,0,0,0|1,0,1]=3 11 B6R1.2 NC1=NCCS1 SBB004361 [0,1,0,0,0,0|1,0,2]=4 12 B6R1.2 NC1CCCC1 SBB040467 [0,1,0,0,0,0|1,0,0]=2 13 B6R1.2 NC1CCNC1 SBB003982 [0,1,0,0,0,0|0,0,0]=1 14 B6R1.2 NN1CCCC1 SBB066760 [0,1,0,0,0,0|0,0,0]=1 15 B6R1.2 O=C1CCCC1 SBB040835 [0,1,0,0,0,0|1,0,0]=2 16 B6R1.2 O=C1CCCN1 SBB060296 [0,1,0,0,0,0|0,0,1]=2 17 B6R1.2 O=C1CCNN1 SBB007977 [0,1,0,0,0,0|1,0,1]=3 18 B6R1.2 O=C1CCSC1 SBB007947 [0,1,0,0,0,0|1,0,1]=3 19 B6R1.2 OC1=NNCC1 SBB047550 [0,1,0,0,0,0|1,0,1]=3 20 B6R1.2 OC1CCNC1 SBB056152 [0,1,0,0,0,0|0,0,0]=1 21 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,1,0,0,0,0|0,0,0]=1 22 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,1,0,0,0,0|0,0,0]=1 23 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,1,0,0,0,0|1,0,0]=2 24 B6R1.2 S=C1NCCN1 SBB004362 [0,1,0,0,0,0|1,0,1]=3 25 B6R1.2 SC1=NCCS1 SBB004290 [0,1,0,0,0,0|1,0,2]=4 26 B4R0.2 BrCCCBr SBB060203 [0,0,1,0,0,0|2,0,0]=3 27 B4R0.2 CCCCBr SBB059930 [0,0,1,0,0,0|1,0,0]=2 28 B4R0.2 CNCC#N SBB071612 [0,0,1,0,0,0|1,0,1]=3 29 B4R0.2 CNCCI SBB071605 [0,0,1,0,0,0|1,0,0]=2 30 B4R0.2 COCCBr SBB007906 [0,0,1,0,0,0|2,0,0]=3 31 B4R0.2 C\C=C\CC SBB059879 [0,0,1,0,0,0|1,0,1]=3 32 B4R0.2 ClCCCBr SBB058669 [0,0,1,0,0,0|2,0,0]=3 33 B4R0.2 ClCCCCl SBB040918 [0,0,1,0,0,0|2,0,0]=3 34 B4R0.2 OCCCBr SBB054750 [0,0,1,0,0,0|2,0,0]=3 35 B4R0.2 [NH2+](CC)CC SBB059849 [0,0,1,0,0,0|0,0,1]=2 36 B6R1.1 C1=COCCC1 SBB060381 [0,0,0,0,0,1|1,0,1]=3 37 B6R1.1 C1CSCCN1 SBB056209 [0,0,0,0,0,1|0,0,0]=1 38 B6R1.1 C1CSCCO1 SBB060674 [0,0,0,0,0,1|1,0,0]=2 39 B6R1.1 C1CSCSC1 SBB061220 [0,0,0,0,0,1|1,0,0]=2 40 B6R1.1 C1OCOCO1 SBB060143 [0,0,0,0,0,1|2,0,0]=3 41 B6R1.1 C1SCSCS1 SBB056869 [0,0,0,0,0,1|2,0,0]=3 42 B3R0.1 BrCCBr SBB040806 [1,0,1,0,0,0|2,0,0]=4 43 B3R0.1 CCCBr SBB040931 [1,0,1,0,0,0|1,0,0]=3 44 B3R0.1 ClCCCl SBB040805 [1,0,1,0,0,0|2,0,0]=4 45 B3R0.1 N#CCN SBB065784 [1,0,1,0,0,0|1,0,1]=4 46 B3R0.1 NCCBr SBB005857 [1,0,1,0,0,0|1,0,0]=3 47 B3R0.1 NCCCl SBB005775 [1,0,1,0,0,0|1,0,0]=3 48 B3R0.1 OCCBr SBB058668 [1,0,1,0,0,0|2,0,0]=4 49 B3R0.1 [NH3+]CCBr SBB060242 [1,0,1,0,0,0|1,0,1]=4 50 B5R0.1 CC(C)CCBr SBB061181 [0,1,1,0,0,0|1,0,0]=3 51 B5R0.1 CC(C)CCO SBB060162 [0,1,1,0,0,0|1,0,0]=3 52 B5R0.1 CC(C)CNN SBB042741 [0,1,1,0,0,0|1,0,0]=3 53 B5R0.1 CCCC(=O)Cl SBB040624 [0,1,1,0,0,0|1,0,1]=4 54 B5R0.1 CN(C)CCBr SBB073020 [0,1,1,0,0,0|1,0,0]=3 55 B5R0.1 CN(C)CCN SBB007533 [0,1,1,0,0,0|1,0,0]=3 56 B5R0.1 CS(=O)CCN SBB050811 [0,1,1,0,0,0|1,0,0]=3 57 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,1,1,0,0,0|0,0,2]=4 58 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,1,1,0,0,0|1,0,1]=4 59 B5R0.2 BrCCCCBr SBB060204 [0,1,1,0,0,0|1,0,0]=3 60 B5R0.2 C=COCCN SBB072719 [0,1,1,0,0,0|0,0,2]=4 61 B5R0.2 CC#CCCO SBB009118 [0,1,1,0,0,0|1,0,1]=4 62 B5R0.2 CCC#CCO SBB009120 [0,1,1,0,0,0|1,0,1]=4 63 B5R0.2 CCCCCBr SBB059933 [0,1,1,0,0,0|1,0,0]=3 64 B5R0.2 CCCCCCl SBB059951 [0,1,1,0,0,0|1,0,0]=3 65 B5R0.2 CCCN=C=S SBB060984 [0,1,1,0,0,0|0,0,2]=4 66 B5R0.2 CCNNCC SBB069584 [0,1,1,0,0,0|0,0,0]=2 67 B5R0.2 CCOCCBr SBB008332 [0,1,1,0,0,0|1,0,0]=3 68 B5R0.2 CCOCCCl SBB061015 [0,1,1,0,0,0|1,0,0]=3 69 B5R0.2 CCOCCN SBB072161 [0,1,1,0,0,0|0,0,0]=2 70 B5R0.2 CCSCCN SBB017894 [0,1,1,0,0,0|0,0,0]=2 71 B5R0.2 CNCCCN SBB059823 [0,1,1,0,0,0|0,0,0]=2 72 B5R0.2 CSCCCO SBB056451 [0,1,1,0,0,0|1,0,0]=3 73 B5R0.2 FCCCCBr SBB087044 [0,1,1,0,0,0|1,0,0]=3 74 B5R0.2 N#CCCCBr SBB054746 [0,1,1,0,0,0|0,0,2]=4 75 B5R0.2 N#CCCCCl SBB061739 [0,1,1,0,0,0|0,0,2]=4 76 B5R0.2 NCCCCN SBB059998 [0,1,1,0,0,0|0,0,0]=2 77 B5R0.2 OCCCCCl SBB002444 [0,1,1,0,0,0|1,0,0]=3 78 B5R0.3 CCC(=O)NN SBB021112 [0,1,1,0,0,0|1,0,1]=4 79 B5R0.3 CCC(C)CBr SBB007669 [0,1,1,0,0,0|1,0,0]=3 80 B5R0.3 CCC(Cl)CCl SBB060453 [0,1,1,0,0,0|1,0,0]=3 81 B5R0.3 CCC(N)CC SBB000050 [0,1,1,0,0,0|1,0,0]=3 82 B5R0.3 CCC(N)CC SBB071911 [0,1,1,0,0,0|1,0,0]=3 83 B5R0.3 CNC(=O)CBr SBB080576 [0,1,1,0,0,0|1,0,1]=4 84 B5R0.3 CNC(=O)CCl SBB049936 [0,1,1,0,0,0|1,0,1]=4 85 B5R0.3 CNC(=S)NC SBB060411 [0,1,1,0,0,0|1,0,1]=4 86 B5R0.3 ClCC(Cl)CCl SBB060982 [0,1,1,0,0,0|2,0,0]=4 87 B5R0.3 OC(CCl)CCl SBB060190 [0,1,1,0,0,0|2,0,0]=4 88 B5R0.3 OCC(O)CCl SBB060480 [0,1,1,0,0,0|2,0,0]=4 89 B5R1.2 OC1CNC1 SBB056270 [0,1,0,0,1,0|0,0,0]=2 90 B7R1.3 BrC1C=CCCC1 SBB007864 [0,1,0,0,0,1|1,0,0]=3 91 B7R1.3 BrC1CCCCC1 SBB059944 [0,1,0,0,0,1|1,0,0]=3 92 B7R1.3 BrC1CCNCC1 SBB054613 [0,1,0,0,0,1|0,0,0]=2 93 B7R1.3 CC1CC=CCC1 SBB060473 [0,1,0,0,0,1|1,0,0]=3 94 B7R1.3 CC1CCCCC1 SBB061163 [0,1,0,0,0,1|1,0,0]=3 95 B7R1.3 CC1SCCCS1 SBB056211 [0,1,0,0,0,1|1,0,0]=3 96 B7R1.3 CN1CCCCC1 SBB060237 [0,1,0,0,0,1|0,0,0]=2 97 B7R1.3 CN1CCOCC1 SBB061013 [0,1,0,0,0,1|0,0,0]=2 98 B7R1.3 ClC1CCOCC1 SBB070678 [0,1,0,0,0,1|1,0,0]=3 99 B7R1.3 FC1CCCNC1 SBB070684 [0,1,0,0,0,1|0,0,0]=2 100 B7R1.3 FC1CCNCC1 SBB070685 [0,1,0,0,0,1|0,0,0]=2 101 B7R1.3 N1CCC(C)CC1 SBB027302 [0,1,0,0,0,1|0,0,0]=2 102 B7R1.3 N1CCCC(C)C1 SBB027301 [0,1,0,0,0,1|0,0,0]=2 103 B7R1.3 N1CCCC(O)C1 SBB004193 [0,1,0,0,0,1|0,0,0]=2 104 B7R1.3 N1CCCCC1C SBB027300 [0,1,0,0,0,1|0,0,0]=2 105 B7R1.3 N1CCN(C)CC1 SBB027304 [0,1,0,0,0,1|0,0,0]=2 106 B7R1.3 N1CCNC(C)C1 SBB027299 [0,1,0,0,0,1|0,0,0]=2 107 B7R1.3 NC1CCCCC1 SBB040492 [0,1,0,0,0,1|1,0,0]=3 108 B7R1.3 NC1CCCNC1 SBB052004 [0,1,0,0,0,1|0,0,0]=2 109 B7R1.3 NC1CCCOC1 SBB012974 [0,1,0,0,0,1|1,0,0]=3 110 B7R1.3 NC1CCNCC1 SBB028166 [0,1,0,0,0,1|0,0,0]=2 111 B7R1.3 NC1CCOCC1 SBB014873 [0,1,0,0,0,1|1,0,0]=3 112 B7R1.3 NC1CCOCC1 SBB069906 [0,1,0,0,0,1|1,0,0]=3 113 B7R1.3 NN1CCCCC1 SBB067336 [0,1,0,0,0,1|0,0,0]=2 114 B7R1.3 NN1CCOCC1 SBB004363 [0,1,0,0,0,1|0,0,0]=2 115 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,1,0,0,0,1|0,0,0]=2 116 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,1,0,0,0,1|0,0,0]=2 117 B7R1.3 O=C1C=CCCC1 SBB008209 [0,1,0,0,0,1|1,0,1]=4 118 B7R1.3 O=C1CCCCC1 SBB060074 [0,1,0,0,0,1|1,0,0]=3 119 B7R1.3 O=C1CCCCO1 SBB060349 [0,1,0,0,0,1|1,0,0]=3 120 B7R1.3 O=C1CCOCC1 SBB049627 [0,1,0,0,0,1|1,0,0]=3 121 B7R1.3 O=C1CCSCC1 SBB048121 [0,1,0,0,0,1|1,0,0]=3 122 B7R1.3 O=C1CNCCN1 SBB000034 [0,1,0,0,0,1|0,0,1]=3 123 B7R1.3 OC1CCCCC1 SBB060483 [0,1,0,0,0,1|1,0,0]=3 124 B7R1.3 OC1CCCCO1 SBB055947 [0,1,0,0,0,1|1,0,0]=3 125 B7R1.3 OC1CCCNC1 SBB027351 [0,1,0,0,0,1|0,0,0]=2 126 B7R1.3 OC1CCNCC1 SBB027346 [0,1,0,0,0,1|0,0,0]=2 127 B7R1.3 OC1CCOCC1 SBB055945 [0,1,0,0,0,1|1,0,0]=3 128 B7R1.3 S=C1NCCCN1 SBB017542 [0,1,0,0,0,1|0,0,1]=3 129 B7R1.3 S=C1NCCCS1 SBB085843 [0,1,0,0,0,1|0,0,1]=3 130 B7R1.3 SC1=NCCCN1 SBB039536 [0,1,0,0,0,1|0,0,1]=3 131 B7R1.1 BrCC1CCCC1 SBB054968 [0,2,0,0,0,0|1,0,0]=3 132 B7R1.1 BrCC1CCCO1 SBB003909 [0,2,0,0,0,0|1,0,0]=3 133 B7R1.1 BrCC1OCCO1 SBB070708 [0,2,0,0,0,0|2,0,0]=4 134 B7R1.1 CSC1=NCCN1 SBB055871 [0,2,0,0,0,0|1,0,1]=4 135 B7R1.1 ClCC1CCCN1 SBB018633 [0,2,0,0,0,0|0,0,0]=2 136 B7R1.1 ClCC1CCCO1 SBB008957 [0,2,0,0,0,0|1,0,0]=3 137 B7R1.1 N#CC1=CCCC1 SBB007727 [0,2,0,0,0,0|1,0,1]=4 138 B7R1.1 N#CC1CCCC1 SBB008886 [0,2,0,0,0,0|1,0,0]=3 139 B7R1.1 N#CN1CCCC1 SBB059310 [0,2,0,0,0,0|0,0,0]=2 140 B7R1.1 N1CCN=C1SC SBB037853 [0,2,0,0,0,0|1,0,1]=4 141 B7R1.1 NCC1CCCO1 SBB028168 [0,2,0,0,0,0|1,0,0]=3 142 B7R1.1 NN=C1NCCN1 SBB000223 [0,2,0,0,0,0|1,0,1]=4 143 B7R1.1 NNC1=NCCN1 SBB028391 [0,2,0,0,0,0|1,0,1]=4 144 B7R1.1 NNC1CCCC1 SBB301621 [0,2,0,0,0,0|1,0,0]=3 145 B7R1.1 O=CC1CCCC1 SBB069481 [0,2,0,0,0,0|1,0,0]=3 146 B7R1.1 O=CC1CCOC1 SBB052278 [0,2,0,0,0,0|1,0,0]=3 147 B7R1.1 OCC1CCCC1 SBB008516 [0,2,0,0,0,0|1,0,0]=3 148 B7R1.1 OCC1CCCO1 SBB058567 [0,2,0,0,0,0|1,0,0]=3 149 B7R1.1 OCC1CCNC1 SBB046413 [0,2,0,0,0,0|0,0,0]=2 150 B7R1.1 OCC1OCCO1 SBB059646 [0,2,0,0,0,0|2,0,0]=4 151 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,2,0,0,0,0|0,0,0]=2 152 B7R1.1 ON=C1CCCC1 SBB060393 [0,2,0,0,0,0|1,0,0]=3 153 B7R1.2 CC1CNC(=S)N1 SBB055856 [0,2,0,0,0,0|1,0,1]=4 154 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,2,0,0,0,0|0,0,2]=4 155 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,2,0,0,0,0|1,0,1]=4 156 B7R1.4 BrC1CCCC1Br SBB060684 [0,2,0,0,0,0|1,0,0]=3 157 B7R1.4 CN1CCCC1=O SBB060297 [0,2,0,0,0,0|0,0,1]=3 158 B7R1.4 ClC1CCCC1Cl SBB060212 [0,2,0,0,0,0|1,0,0]=3 159 B7R1.4 NC1CCOC1=O SBB004366 [0,2,0,0,0,0|1,0,1]=4 160 B7R1.4 NC1CCOC1=O SBB057192 [0,2,0,0,0,0|1,0,1]=4 161 B7R1.4 NC1CCSC1=O SBB004035 [0,2,0,0,0,0|1,0,1]=4 162 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,2,0,0,0,0|1,0,0]=3 163 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,2,0,0,0,0|1,0,1]=4 164 B7R1.4 O=C1OCCC1Br SBB083094 [0,2,0,0,0,0|1,0,1]=4 165 B7R1.4 OC1CCCC1Cl SBB060196 [0,2,0,0,0,0|1,0,0]=3 166 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,2,0,0,0,0|1,0,0]=3 167 B7R1.14 CC1(C)COCN1 SBB059841 [0,2,0,0,0,0|1,0,0]=3 168 B7R1.14 FC1(F)CCNC1 SBB086302 [0,2,0,0,0,0|0,0,0]=2 169 B7R1.14 O=S1(=O)CCCC1 SBB057389 [0,2,0,0,0,0|1,0,0]=3 170 B5R1.3 BrCC1CC1 SBB054967 [0,0,1,1,0,0|1,0,0]=3 171 B5R1.3 NCC1CC1 SBB047771 [0,0,1,1,0,0|0,0,0]=2 172 B5R1.3 OCC1CC1 SBB059473 [0,0,1,1,0,0|1,0,0]=3 173 B7R1.24 C1=CCCCCC1 SBB059889 [0,0,0,0,0,2|1,0,0]=3 174 B7R1.24 C1CCCCCC1 SBB060406 [0,0,0,0,0,2|1,0,0]=3 175 B7R1.24 C1CNCCNC1 SBB004367 [0,0,0,0,0,2|0,0,0]=2 176 B7R1.24 C1CNCCOC1 SBB049498 [0,0,0,0,0,2|0,0,0]=2 177 B7R1.24 N1CCCCCC1 SBB027297 [0,0,0,0,0,2|0,0,0]=2