0 B7R1.3 BrC1C=CCCC1 SBB007864 [0,0,0,0,0,0|1,0,2]=3 1 B7R1.3 BrC1CCCCC1 SBB059944 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 BrC1CCNCC1 SBB054613 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 CC1CC=CCC1 SBB060473 [0,0,0,0,0,0|1,0,2]=3 4 B7R1.3 CC1CCCCC1 SBB061163 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.3 CC1SCCCS1 SBB056211 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 CN1CCCCC1 SBB060237 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 CN1CCOCC1 SBB061013 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 ClC1CCOCC1 SBB070678 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 FC1CCCNC1 SBB070684 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 FC1CCNCC1 SBB070685 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 N1CCC(C)CC1 SBB027302 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.3 N1CCCC(C)C1 SBB027301 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 N1CCCC(O)C1 SBB004193 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.3 N1CCCCC1C SBB027300 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 N1CCN(C)CC1 SBB027304 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 N1CCNC(C)C1 SBB027299 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 NC1CCCCC1 SBB040492 [0,0,0,0,0,0|0,0,0]=0 18 B7R1.3 NC1CCCNC1 SBB052004 [0,0,0,0,0,0|1,0,0]=1 19 B7R1.3 NC1CCCOC1 SBB012974 [0,0,0,0,0,0|1,0,0]=1 20 B7R1.3 NC1CCNCC1 SBB028166 [0,0,0,0,0,0|1,0,0]=1 21 B7R1.3 NC1CCOCC1 SBB014873 [0,0,0,0,0,0|1,0,0]=1 22 B7R1.3 NC1CCOCC1 SBB069906 [0,0,0,0,0,0|1,0,0]=1 23 B7R1.3 NN1CCCCC1 SBB067336 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.3 NN1CCOCC1 SBB004363 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,0,0,0,0,0|1,0,0]=1 26 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,0,0,0,0,0|1,0,0]=1 27 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,0,0,0,0|1,0,3]=4 28 B7R1.3 O=C1CCCCC1 SBB060074 [0,0,0,0,0,0|1,0,1]=2 29 B7R1.3 O=C1CCCCO1 SBB060349 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.3 O=C1CCOCC1 SBB049627 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.3 O=C1CCSCC1 SBB048121 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.3 O=C1CNCCN1 SBB000034 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.3 OC1CCCCC1 SBB060483 [0,0,0,0,0,0|1,0,0]=1 34 B7R1.3 OC1CCCCO1 SBB055947 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.3 OC1CCCNC1 SBB027351 [0,0,0,0,0,0|2,0,0]=2 36 B7R1.3 OC1CCNCC1 SBB027346 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.3 OC1CCOCC1 SBB055945 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.3 S=C1NCCCN1 SBB017542 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.3 S=C1NCCCS1 SBB085843 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.3 SC1=NCCCN1 SBB039536 [0,0,0,0,0,0|3,0,1]=4 41 B6R1.1 C1=COCCC1 SBB060381 [1,0,0,0,0,0|1,0,2]=4 42 B6R1.1 C1CSCCN1 SBB056209 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.1 C1CSCCO1 SBB060674 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.1 C1CSCSC1 SBB061220 [1,0,0,0,0,0|2,0,0]=3 45 B6R1.1 C1OCOCO1 SBB060143 [1,0,0,0,0,0|3,0,0]=4 46 B6R1.1 C1SCSCS1 SBB056869 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 BrCC1CCCCO1 SBB054944 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.2 BrCC1CCCNC1 SBB019055 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.2 BrCC1CCOCC1 SBB054945 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.2 C#CC1=CCCCC1 SBB002648 [0,1,0,0,0,0|1,0,2]=4 51 B8R1.2 C(=O)N1CCCCC1 SBB004316 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.2 C(=O)N1CCNCC1 SBB027307 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.2 C(=O)N1CCOCC1 SBB007670 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.2 C1(CCl)OCCCO1 SBB085954 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.2 C=CC1CC=CCC1 SBB059892 [0,1,0,0,0,0|1,0,2]=4 56 B8R1.2 CCC1CCCCC1 SBB061162 [0,1,0,0,0,0|1,0,0]=2 57 B8R1.2 CCC1CCNCC1 SBB046379 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.2 CCN1CCCCC1 SBB061409 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.2 CCN1CCOCC1 SBB060634 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.2 COC1C=CCCC1 SBB060461 [0,1,0,0,0,0|1,0,2]=4 61 B8R1.2 COC1CCNCC1 SBB019028 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.2 ClCC1CCCCO1 SBB040653 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.2 ClCC1COCCO1 SBB046611 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.2 N#CC1=CCCCC1 SBB007873 [0,1,0,0,0,0|0,0,3]=4 65 B8R1.2 N#CC1CC=CCC1 SBB007998 [0,1,0,0,0,0|0,0,3]=4 66 B8R1.2 N#CC1CCCCC1 SBB008404 [0,1,0,0,0,0|0,0,1]=2 67 B8R1.2 N#CC1CCNCC1 SBB062695 [0,1,0,0,0,0|1,0,1]=3 68 B8R1.2 N#CC1CCOCC1 SBB019014 [0,1,0,0,0,0|1,0,1]=3 69 B8R1.2 N#CN1CCOCC1 SBB050234 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.2 N(C)C1CCCCC1 SBB004314 [0,1,0,0,0,0|0,0,0]=1 71 B8R1.2 N1CCCCC1CC SBB004312 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 N1CCN(CC)CC1 SBB006719 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.2 NCC1CCCCC1 SBB028193 [0,1,0,0,0,0|0,0,0]=1 74 B8R1.2 NCC1CCCCN1 SBB069774 [0,1,0,0,0,0|1,0,0]=2 75 B8R1.2 NCC1CCCCO1 SBB085471 [0,1,0,0,0,0|1,0,0]=2 76 B8R1.2 NCC1CCCOC1 SBB013821 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.2 NCC1CCNCC1 SBB004305 [0,1,0,0,0,0|1,0,0]=2 78 B8R1.2 NCC1CCOCC1 SBB014254 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.2 NCC1COCCO1 SBB014104 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.2 NNC1=NCCCN1 SBB055917 [0,1,0,0,0,0|2,0,1]=4 81 B8R1.2 NNC1=NCCCN1 SBB072981 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.2 O=CC1CC=CCC1 SBB068360 [0,1,0,0,0,0|1,0,2]=4 83 B8R1.2 O=CC1CCNCC1 SBB052337 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.2 O=CC1CCOCC1 SBB052321 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.2 OCC1CC=CCC1 SBB054865 [0,1,0,0,0,0|1,0,2]=4 86 B8R1.2 OCC1CCCCC1 SBB061328 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.2 OCC1CCCCN1 SBB058544 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.2 OCC1CCCCO1 SBB008943 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.2 OCC1CCCOC1 SBB014200 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.2 OCC1CCNCC1 SBB054833 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.2 ON=C1CCCCC1 SBB058381 [0,1,0,0,0,0|0,0,2]=3 92 B8R1.3 CC1CCC(C)CC1 SBB061451 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.3 CN1CCC(Cl)CC1 SBB057204 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.3 CN1CCC(N)CC1 SBB004306 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [0,1,0,0,0,0|0,0,0]=1 98 B8R1.3 N1CC(C)NCC1C SBB004303 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.3 NN1CCN(C)CC1 SBB004299 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.3 N[C@H]1CC[C@H](N)CC1 SBB008553 [0,1,0,0,0,0|0,0,0]=1 101 B8R1.3 N[C@H]1CC[C@H](O)CC1 SBB005825 [0,1,0,0,0,0|0,0,0]=1 102 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,1,0,0,0,0|1,0,2]=4 103 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,1,0,0,0,0|1,0,1]=3 104 B8R1.3 OC1CCC(Cl)CC1 SBB007863 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.3 OC1CCN(C)CC1 SBB004301 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.3 OC1CSC(O)CS1 SBB057060 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,1,0,0,0,0|1,0,0]=2 108 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.4 CC1CNCC(C)C1 SBB027312 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.4 CC1CNCC(C)O1 SBB040955 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.4 CN1CCCC(N)C1 SBB047756 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SBB056139 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,1,0,0,0,0|0,0,3]=4 116 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,1,0,0,0,0|1,0,2]=4 117 B8R1.5 BrC1CCCC[C@@H]1Br SBB060495 [0,1,0,0,0,0|1,0,0]=2 118 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,1,0,0,0,0|1,0,2]=4 119 B8R1.5 CC1CCCCC1=O SBB058517 [0,1,0,0,0,0|1,0,1]=3 120 B8R1.5 CC1CCCCC1N SBB061724 [0,1,0,0,0,0|0,0,0]=1 121 B8R1.5 CC1CCCCN1C SBB060747 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.5 CC1CCCNC1C SBB027556 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.5 CC1CNCCC1O SBB300760 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.5 Cl[C@H]1CCCC[C@H]1Cl SBB007831 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.5 FC1CCCCC1Br SBB089745 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.5 NC1CCCNC1=O SBB012739 [0,1,0,0,0,0|1,0,1]=3 127 B8R1.5 N[C@@H]1CCCC[C@H]1N SBB007639 [0,1,0,0,0,0|0,0,0]=1 128 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,1,0,0,0,0|1,0,1]=3 129 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [0,1,0,0,0,0|1,0,0]=2 130 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.72 CC1(C)CCCNC1 SBB027276 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.72 CC1(C)CCOCO1 SBB060068 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.72 CC1(O)CCCCC1 SBB061165 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.72 C[N+]1(C)CCOCC1 SBB057461 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.72 C[N+]1([O-])CCOCC1 SBB058349 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.72 FC1(F)CCCNC1 SBB087232 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.72 FC1(F)CCNCC1 SBB087231 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.72 O=S1(=O)CCNCC1 SBB010267 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.72 O=S1(=O)CCNCC1 SBB056140 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.72 OC1(O)CCNCC1 SBB004037 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.1 C#CC(O)CCC SBB067434 [0,0,1,0,0,0|1,0,2]=4 143 B6R0.1 CCC(O)COC SBB072708 [0,0,1,0,0,0|2,0,0]=3 144 B6R0.1 CCCC(=O)CC SBB061496 [0,0,1,0,0,0|1,0,1]=3 145 B6R0.1 CCCC(=O)OC SBB061104 [0,0,1,0,0,0|2,0,1]=4 146 B6R0.1 CCCC(C)CO SBB061282 [0,0,1,0,0,0|2,0,0]=3 147 B6R0.1 CCCC(O)CC SBB061363 [0,0,1,0,0,0|1,0,0]=2 148 B6R0.1 CCC\C(N)=N/O SBB028173 [0,0,1,0,0,0|2,0,1]=4 149 B6R0.1 CCNC(C)CO SBB046531 [0,0,1,0,0,0|3,0,0]=4 150 B6R0.1 CCOC(=O)CC SBB060312 [0,0,1,0,0,0|2,0,1]=4 151 B6R0.1 CNC(C)CCO SBB046542 [0,0,1,0,0,0|3,0,0]=4 152 B6R0.1 CNCC(C)OC SBB049894 [0,0,1,0,0,0|3,0,0]=4 153 B6R0.1 COCC(O)CN SBB051203 [0,0,1,0,0,0|3,0,0]=4 154 B6R0.1 OC(CBr)CCBr SBB007842 [0,0,1,0,0,0|3,0,0]=4 155 B6R0.4 CC(C)NCCN SBB048119 [0,0,1,0,0,0|3,0,0]=4 156 B6R0.4 CC(C)NCCO SBB056428 [0,0,1,0,0,0|3,0,0]=4 157 B6R0.4 CC(C)OCCN SBB301616 [0,0,1,0,0,0|3,0,0]=4 158 B6R0.4 CCC#CC(C)O SBB067141 [0,0,1,0,0,0|1,0,2]=4 159 B6R0.4 CCCCC(=O)O SBB053585 [0,0,1,0,0,0|2,0,1]=4 160 B6R0.4 CCCCC(C)=O SBB061262 [0,0,1,0,0,0|1,0,1]=3 161 B6R0.4 CCCCC(C)O SBB061290 [0,0,1,0,0,0|1,0,0]=2 162 B6R0.4 CCCCC(N)=O SBB028169 [0,0,1,0,0,0|1,0,1]=3 163 B6R0.4 CCCCN(C)C SBB060243 [0,0,1,0,0,0|2,0,0]=3 164 B6R0.4 CCCNC(N)=O SBB028174 [0,0,1,0,0,0|2,0,1]=4 165 B6R0.4 CCCOC(C)=O SBB060305 [0,0,1,0,0,0|2,0,1]=4 166 B6R0.4 CCCOC(N)=O SBB000036 [0,0,1,0,0,0|2,0,1]=4 167 B6R0.4 CCOCC(C)O SBB061006 [0,0,1,0,0,0|2,0,0]=3 168 B6R0.4 CN(C)CCCN SBB028177 [0,0,1,0,0,0|3,0,0]=4 169 B6R0.4 CNCCC(N)=O SBB080375 [0,0,1,0,0,0|2,0,1]=4 170 B6R0.6 BrCCOCCBr SBB054744 [0,0,1,0,0,0|3,0,0]=4 171 B6R0.6 C#CCCCCC SBB067441 [0,0,1,0,0,0|1,0,1]=3 172 B6R0.6 C#CCCCCO SBB015110 [0,0,1,0,0,0|1,0,2]=4 173 B6R0.6 C=CCCCCBr SBB054740 [0,0,1,0,0,0|1,0,2]=4 174 B6R0.6 C=CCCCCC SBB059882 [0,0,1,0,0,0|1,0,1]=3 175 B6R0.6 CCCCCC#N SBB060051 [0,0,1,0,0,0|0,0,2]=3 176 B6R0.6 CCCCCCBr SBB059934 [0,0,1,0,0,0|1,0,0]=2 177 B6R0.6 CCCCCCCl SBB059952 [0,0,1,0,0,0|1,0,0]=2 178 B6R0.6 CCCCCCN SBB059984 [0,0,1,0,0,0|0,0,0]=1 179 B6R0.6 CCCCCCO SBB059899 [0,0,1,0,0,0|1,0,0]=2 180 B6R0.6 CCCCCOC SBB061300 [0,0,1,0,0,0|2,0,0]=3 181 B6R0.6 CCCCN=C=S SBB060985 [0,0,1,0,0,0|2,0,1]=4 182 B6R0.6 CCCCNC=O SBB060026 [0,0,1,0,0,0|2,0,1]=4 183 B6R0.6 CCCCOC=O SBB060300 [0,0,1,0,0,0|2,0,1]=4 184 B6R0.6 CCCCSC#N SBB056760 [0,0,1,0,0,0|1,0,2]=4 185 B6R0.6 CCCCSCC SBB061178 [0,0,1,0,0,0|2,0,0]=3 186 B6R0.6 CCCNCCC SBB059762 [0,0,1,0,0,0|2,0,0]=3 187 B6R0.6 CCCOCCO SBB061379 [0,0,1,0,0,0|2,0,0]=3 188 B6R0.6 CCCSCCC SBB061017 [0,0,1,0,0,0|2,0,0]=3 189 B6R0.6 CCCSCCO SBB058605 [0,0,1,0,0,0|2,0,0]=3 190 B6R0.6 CCNCCC#N SBB006528 [0,0,1,0,0,0|1,0,2]=4 191 B6R0.6 CCOCCC#N SBB067181 [0,0,1,0,0,0|1,0,2]=4 192 B6R0.6 CCOCCCN SBB028180 [0,0,1,0,0,0|1,0,0]=2 193 B6R0.6 CC\C=C/CCO SBB007739 [0,0,1,0,0,0|1,0,2]=4 194 B6R0.6 ClCCOCCCl SBB059969 [0,0,1,0,0,0|3,0,0]=4 195 B6R0.6 N#CCCCCCl SBB061418 [0,0,1,0,0,0|1,0,2]=4 196 B6R0.6 NCCCCCN SBB079706 [0,0,1,0,0,0|1,0,0]=2 197 B6R0.6 NCCNCCN SBB059776 [0,0,1,0,0,0|2,0,0]=3 198 B6R0.6 NCCNCCO SBB028183 [0,0,1,0,0,0|2,0,0]=3 199 B6R0.6 NCCOCCO SBB060906 [0,0,1,0,0,0|2,0,0]=3 200 B6R0.6 NCCSCCO SBB056468 [0,0,1,0,0,0|2,0,0]=3 201 B6R0.6 OCCNCCO SBB059779 [0,0,1,0,0,0|3,0,0]=4 202 B6R0.6 OCCOCCCl SBB060189 [0,0,1,0,0,0|3,0,0]=4 203 B6R0.6 OCCSCCO SBB060117 [0,0,1,0,0,0|3,0,0]=4 204 B6R0.6 SCCOCCS SBB058846 [0,0,1,0,0,0|3,0,0]=4 205 B8R2.25 C1CCC2OC2C1 SBB061377 [0,0,0,1,0,0|1,0,0]=2 206 B8R2.34 C1CC2CC1CN2 SBB013021 [0,0,0,1,0,0|2,0,0]=3 207 B8R2.34 C1OC2CNC1C2 SBB017544 [0,0,0,1,0,0|3,0,0]=4 208 B6R1.2 BrC1CCCC1 SBB040823 [0,0,0,0,1,0|1,0,0]=2 209 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,0,0,0,1,0|2,0,0]=3 210 B6R1.2 N1CCC(N)C1 SBB027337 [0,0,0,0,1,0|1,0,0]=2 211 B6R1.2 NC1=NCCN1 SBB300496 [0,0,0,0,1,0|2,0,1]=4 212 B6R1.2 NC1=NCCS1 SBB004361 [0,0,0,0,1,0|2,0,1]=4 213 B6R1.2 NC1CCCC1 SBB040467 [0,0,0,0,1,0|0,0,0]=1 214 B6R1.2 NC1CCNC1 SBB003982 [0,0,0,0,1,0|1,0,0]=2 215 B6R1.2 NN1CCCC1 SBB066760 [0,0,0,0,1,0|1,0,0]=2 216 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,0,1,0|1,0,1]=3 217 B6R1.2 O=C1CCCN1 SBB060296 [0,0,0,0,1,0|2,0,1]=4 218 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,0,1,0|2,0,1]=4 219 B6R1.2 OC1CCNC1 SBB056152 [0,0,0,0,1,0|2,0,0]=3 220 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,0,0,0,1,0|2,0,0]=3 221 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,0,0,0,1,0|2,0,0]=3 222 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,0,0,0,1,0|2,0,0]=3 223 B8R1.22 CN1CCCNCC1 SBB056191 [0,0,0,0,0,1|2,0,0]=3 224 B8R1.22 NC1CCCCCC1 SBB004311 [0,0,0,0,0,1|0,0,0]=1 225 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,0,0,1|1,0,1]=3 226 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,0,0,0,1|1,0,1]=3 227 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,0,0,0,1|2,0,1]=4 228 B8R1.22 O=S1OCCCCO1 SBB060665 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.22 OC1CCCCCC1 SBB061138 [0,0,0,0,0,1|1,0,0]=2 230 B8R1.22 S=C1NCCCCN1 SBB085765 [0,0,0,0,0,1|2,0,1]=4 231 B5R0.1 CC(C)CCBr SBB061181 [1,0,1,0,0,0|2,0,0]=4 232 B5R0.1 CC(C)CCO SBB060162 [1,0,1,0,0,0|2,0,0]=4 233 B5R0.2 BrCCCCBr SBB060204 [1,0,1,0,0,0|2,0,0]=4 234 B5R0.2 CCCCCBr SBB059933 [1,0,1,0,0,0|1,0,0]=3 235 B5R0.2 CCCCCCl SBB059951 [1,0,1,0,0,0|1,0,0]=3 236 B5R0.2 CCNNCC SBB069584 [1,0,1,0,0,0|2,0,0]=4 237 B5R0.2 CCOCCBr SBB008332 [1,0,1,0,0,0|2,0,0]=4 238 B5R0.2 CCOCCCl SBB061015 [1,0,1,0,0,0|2,0,0]=4 239 B5R0.2 CCOCCN SBB072161 [1,0,1,0,0,0|1,0,0]=3 240 B5R0.2 CCSCCN SBB017894 [1,0,1,0,0,0|1,0,0]=3 241 B5R0.2 CNCCCN SBB059823 [1,0,1,0,0,0|1,0,0]=3 242 B5R0.2 CSCCCO SBB056451 [1,0,1,0,0,0|2,0,0]=4 243 B5R0.2 FCCCCBr SBB087044 [1,0,1,0,0,0|2,0,0]=4 244 B5R0.2 NCCCCN SBB059998 [1,0,1,0,0,0|1,0,0]=3 245 B5R0.2 OCCCCCl SBB002444 [1,0,1,0,0,0|2,0,0]=4 246 B5R0.3 CCC(C)CBr SBB007669 [1,0,1,0,0,0|2,0,0]=4 247 B5R0.3 CCC(Cl)CCl SBB060453 [1,0,1,0,0,0|2,0,0]=4 248 B5R0.3 CCC(N)CC SBB000050 [1,0,1,0,0,0|0,0,0]=2 249 B5R0.3 CCC(N)CC SBB071911 [1,0,1,0,0,0|0,0,0]=2 250 B7R0.2 CCC(O)CN(C)C SBB061151 [0,1,1,0,0,0|2,0,0]=4 251 B7R0.3 C=C(CC)CCCC SBB060475 [0,1,1,0,0,0|1,0,1]=4 252 B7R0.3 CC(CN)CCCN SBB058625 [0,1,1,0,0,0|2,0,0]=4 253 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,1,1,0,0,0|2,0,0]=4 254 B7R0.3 CCN(C)CCCO SBB046555 [0,1,1,0,0,0|2,0,0]=4 255 B7R0.3 CCNCC(O)CC SBB072921 [0,1,1,0,0,0|1,0,0]=3 256 B7R0.3 CCOCC(O)CN SBB017905 [0,1,1,0,0,0|2,0,0]=4 257 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,1,1,0,0,0|1,0,0]=3 258 B7R0.5 CCCC(C)C(C)O SBB061491 [0,1,1,0,0,0|1,0,0]=3 259 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,1,1,0,0,0|1,0,1]=4 260 B7R0.7 CCCC(=O)CCC SBB060386 [0,1,1,0,0,0|1,0,1]=4 261 B7R0.7 CCCC(N)CCC SBB018801 [0,1,1,0,0,0|0,0,0]=2 262 B7R0.7 CCCC(O)CCC SBB061327 [0,1,1,0,0,0|1,0,0]=3 263 B7R0.7 CCCN(C)CCC SBB061592 [0,1,1,0,0,0|2,0,0]=4 264 B7R0.7 CCNC(C)CCO SBB046562 [0,1,1,0,0,0|2,0,0]=4 265 B7R0.7 CCOC(C)OCC SBB058503 [0,1,1,0,0,0|2,0,0]=4 266 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,1,1,0,0,0|1,0,0]=3 267 B7R0.12 CCCC(CO)CO SBB059211 [0,1,1,0,0,0|2,0,0]=4 268 B7R0.4 CC(C)CCCCBr SBB008833 [0,1,1,0,0,0|1,0,0]=3 269 B7R0.4 CC(C)OCCCN SBB061717 [0,1,1,0,0,0|2,0,0]=4 270 B7R0.4 CC(Cl)COCCCl SBB056511 [0,1,1,0,0,0|2,0,0]=4 271 B7R0.4 CCCCCC(C)=O SBB061125 [0,1,1,0,0,0|1,0,1]=4 272 B7R0.4 CCCCCC(N)=O SBB061056 [0,1,1,0,0,0|1,0,1]=4 273 B7R0.4 CCCCNC(N)=S SBB028242 [0,1,1,0,0,0|1,0,1]=4 274 B7R0.4 CCCCOC(Cl)Cl SBB060510 [0,1,1,0,0,0|2,0,0]=4 275 B7R0.4 CCCCOC(N)=O SBB060819 [0,1,1,0,0,0|1,0,1]=4 276 B7R0.4 CCCOCC(C)O SBB061007 [0,1,1,0,0,0|1,0,0]=3 277 B7R0.4 CN(C)CCCCN SBB008514 [0,1,1,0,0,0|2,0,0]=4 278 B7R0.4 CNCCCN(C)C SBB052125 [0,1,1,0,0,0|2,0,0]=4 279 B7R0.4 COCCNC(C)C SBB302570 [0,1,1,0,0,0|2,0,0]=4 280 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [0,1,1,0,0,0|1,0,1]=4 281 B7R0.6 CC(C)CCC(C)N SBB008544 [0,1,1,0,0,0|0,0,0]=2 282 B7R0.6 CC(C)CCC(C)O SBB061318 [0,1,1,0,0,0|1,0,0]=3 283 B7R0.6 CC(C)CNC(C)C SBB046539 [0,1,1,0,0,0|2,0,0]=4 284 B7R0.6 CC(O)COC(C)C SBB061008 [0,1,1,0,0,0|2,0,0]=4 285 B7R0.8 CCNCC(C)(C)C SBB080378 [0,1,1,0,0,0|2,0,0]=4 286 B7R0.8 CNCCC(C)(C)C SBB080385 [0,1,1,0,0,0|2,0,0]=4 287 B7R0.1 BrCCCCCCBr SBB060205 [0,1,1,0,0,0|1,0,0]=3 288 B7R0.1 C#CCNCCCC SBB300093 [0,1,1,0,0,0|1,0,1]=4 289 B7R0.1 C=CCCCCCC SBB059884 [0,1,1,0,0,0|1,0,0]=3 290 B7R0.1 C=CCSCCCC SBB058522 [0,1,1,0,0,0|1,0,1]=4 291 B7R0.1 CCCC#CCCO SBB008799 [0,1,1,0,0,0|1,0,1]=4 292 B7R0.1 CCCCC#CCO SBB008796 [0,1,1,0,0,0|1,0,1]=4 293 B7R0.1 CCCCCCC#N SBB060052 [0,1,1,0,0,0|0,0,1]=3 294 B7R0.1 CCCCCCCBr SBB059936 [0,1,1,0,0,0|1,0,0]=3 295 B7R0.1 CCCCCCCCl SBB059954 [0,1,1,0,0,0|1,0,0]=3 296 B7R0.1 CCCCCCCN SBB059985 [0,1,1,0,0,0|0,0,0]=2 297 B7R0.1 CCCCCCOC SBB061157 [0,1,1,0,0,0|1,0,0]=3 298 B7R0.1 CCCCCN=C=S SBB085742 [0,1,1,0,0,0|1,0,1]=4 299 B7R0.1 CCCCCOC=O SBB060301 [0,1,1,0,0,0|1,0,1]=4 300 B7R0.1 CCCCCSC#N SBB060089 [0,1,1,0,0,0|0,0,2]=4 301 B7R0.1 CCCCNCCC SBB059822 [0,1,1,0,0,0|1,0,0]=3 302 B7R0.1 CCCCOCCBr SBB007731 [0,1,1,0,0,0|1,0,0]=3 303 B7R0.1 CCCCOCCCl SBB059964 [0,1,1,0,0,0|1,0,0]=3 304 B7R0.1 CCCCOCCO SBB059918 [0,1,1,0,0,0|1,0,0]=3 305 B7R0.1 CCCCSCCN SBB072659 [0,1,1,0,0,0|0,0,0]=2 306 B7R0.1 CCCCSCCO SBB013616 [0,1,1,0,0,0|1,0,0]=3 307 B7R0.1 CCCCSCCS SBB057435 [0,1,1,0,0,0|1,0,0]=3 308 B7R0.1 CCCNCCC#N SBB059761 [0,1,1,0,0,0|0,0,2]=4 309 B7R0.1 CCCOCCCN SBB056585 [0,1,1,0,0,0|0,0,0]=2 310 B7R0.1 CCCSSCCC SBB058501 [0,1,1,0,0,0|2,0,0]=4 311 B7R0.1 CCNCCCCO SBB052126 [0,1,1,0,0,0|1,0,0]=3 312 B7R0.1 CCNCCNCC SBB072869 [0,1,1,0,0,0|2,0,0]=4 313 B7R0.1 COCCOCCCl SBB059966 [0,1,1,0,0,0|2,0,0]=4 314 B7R0.1 COCCOCCO SBB059920 [0,1,1,0,0,0|2,0,0]=4 315 B7R0.1 COCCOCCS SBB061387 [0,1,1,0,0,0|2,0,0]=4 316 B7R0.1 COCCSCCO SBB061070 [0,1,1,0,0,0|2,0,0]=4 317 B7R0.1 C\C=C\CCCCC SBB059885 [0,1,1,0,0,0|1,0,1]=4 318 B7R0.1 ClCCCCCCCl SBB060213 [0,1,1,0,0,0|1,0,0]=3 319 B7R0.1 N#CCCCCCBr SBB058579 [0,1,1,0,0,0|0,0,2]=4 320 B7R0.1 NCCCCCCN SBB059999 [0,1,1,0,0,0|0,0,0]=2 321 B7R0.1 NCCCNCCN SBB052120 [0,1,1,0,0,0|1,0,0]=3 322 B7R0.1 NCCCNCCO SBB059810 [0,1,1,0,0,0|1,0,0]=3 323 B7R0.1 NCCSSCCN SBB003325 [0,1,1,0,0,0|2,0,0]=4 324 B7R0.1 OCCCCCCBr SBB054752 [0,1,1,0,0,0|1,0,0]=3 325 B7R0.1 OCCCCCCCl SBB060188 [0,1,1,0,0,0|1,0,0]=3 326 B7R0.1 OCCCCCCN SBB006584 [0,1,1,0,0,0|0,0,0]=2 327 B7R0.1 OCCCCCCO SBB059915 [0,1,1,0,0,0|1,0,0]=3 328 B7R0.1 OCCCCCCS SBB058615 [0,1,1,0,0,0|1,0,0]=3 329 B7R1.1 BrCC1CCCC1 SBB054968 [0,1,0,0,1,0|1,0,0]=3 330 B7R1.1 BrCC1CCCO1 SBB003909 [0,1,0,0,1,0|2,0,0]=4 331 B7R1.1 ClCC1CCCN1 SBB018633 [0,1,0,0,1,0|2,0,0]=4 332 B7R1.1 ClCC1CCCO1 SBB008957 [0,1,0,0,1,0|2,0,0]=4 333 B7R1.1 N#CC1CCCC1 SBB008886 [0,1,0,0,1,0|0,0,1]=3 334 B7R1.1 N#CN1CCCC1 SBB059310 [0,1,0,0,1,0|1,0,1]=4 335 B7R1.1 NCC1CCCO1 SBB028168 [0,1,0,0,1,0|1,0,0]=3 336 B7R1.1 NNC1CCCC1 SBB301621 [0,1,0,0,1,0|0,0,0]=2 337 B7R1.1 O=CC1CCCC1 SBB069481 [0,1,0,0,1,0|1,0,0]=3 338 B7R1.1 O=CC1CCOC1 SBB052278 [0,1,0,0,1,0|2,0,0]=4 339 B7R1.1 OCC1CCCC1 SBB008516 [0,1,0,0,1,0|1,0,0]=3 340 B7R1.1 OCC1CCCO1 SBB058567 [0,1,0,0,1,0|2,0,0]=4 341 B7R1.1 OCC1CCNC1 SBB046413 [0,1,0,0,1,0|2,0,0]=4 342 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,1,0,0,1,0|2,0,0]=4 343 B7R1.1 ON=C1CCCC1 SBB060393 [0,1,0,0,1,0|0,0,2]=4 344 B7R1.4 BrC1CCCC1Br SBB060684 [0,1,0,0,1,0|1,0,0]=3 345 B7R1.4 ClC1CCCC1Cl SBB060212 [0,1,0,0,1,0|1,0,0]=3 346 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,0,1,0|1,0,1]=4 347 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,0,1,0|1,0,1]=4 348 B7R1.4 NC1CCSC1=O SBB004035 [0,1,0,0,1,0|1,0,1]=4 349 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,1,0,0,1,0|1,0,0]=3 350 B7R1.4 OC1CCCC1Cl SBB060196 [0,1,0,0,1,0|1,0,0]=3 351 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,1,0,0,1,0|1,0,0]=3 352 B7R1.14 FC1(F)CCNC1 SBB086302 [0,1,0,0,1,0|2,0,0]=4 353 B7R1.14 O=S1(=O)CCCC1 SBB057389 [0,1,0,0,1,0|2,0,0]=4 354 B9R1.5 CN1CCCCCC1=O SBB056535 [0,1,0,0,0,1|1,0,1]=4 355 B9R1.5 NC1CCCCNC1=O SBB056282 [0,1,0,0,0,1|0,0,1]=3 356 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,1,0,0,0,1|1,0,1]=4 357 B9R1.5 O=C1CCCCCN1Br SBB057855 [0,1,0,0,0,1|1,0,1]=4 358 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,1,0,0,0,1|1,0,1]=4 359 B9R1.89 CCN1CCCCCC1 SBB056278 [0,1,0,0,0,1|2,0,0]=4 360 B9R1.89 CCN1CCCNCC1 SBB056277 [0,1,0,0,0,1|2,0,0]=4 361 B9R1.89 N#CC1CCCCCC1 SBB008917 [0,1,0,0,0,1|0,0,1]=3 362 B9R1.89 O=CC1CCCCCC1 SBB059644 [0,1,0,0,0,1|1,0,0]=3 363 B9R1.89 O=CN1CCCNCC1 SBB040967 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.1 CC1CCC(=NO)CC1 SBB108710 [0,2,0,0,0,0|0,0,2]=4 365 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,2,0,0,0,0|1,0,1]=4 366 B9R1.1 CCC1CCC(C)NC1 SBB085696 [0,2,0,0,0,0|2,0,0]=4 367 B9R1.1 CCC1CCC(N)CC1 SBB085697 [0,2,0,0,0,0|0,0,0]=2 368 B9R1.1 CCC1CCC(O)CC1 SBB058793 [0,2,0,0,0,0|1,0,0]=3 369 B9R1.1 CCN1CCC(N)CC1 SBB021240 [0,2,0,0,0,0|1,0,0]=3 370 B9R1.1 CN1CCC(CN)CC1 SBB009719 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.1 CN1CCC(CO)CC1 SBB014682 [0,2,0,0,0,0|2,0,0]=4 372 B9R1.1 CNC1CCN(C)CC1 SBB023886 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [0,2,0,0,0,0|1,0,1]=4 374 B9R1.2 CCN1CCCC(N)C1 SBB010256 [0,2,0,0,0,0|1,0,0]=3 375 B9R1.2 CN1CCCC(CN)C1 SBB085275 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.2 CN1CCCC(CO)C1 SBB108760 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.2 CN1CCOC(CN)C1 SBB002810 [0,2,0,0,0,0|2,0,0]=4 378 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,2,0,0,0,0|1,0,1]=4 379 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.6 CC(C)C1CCCCC1 SBB061161 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.6 CN(C)C1CCCCC1 SBB060234 [0,2,0,0,0,0|0,0,0]=2 382 B9R1.6 CN(C)C1CCCCO1 SBB072697 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [0,2,0,0,0,0|0,0,0]=2 384 B9R1.6 N=C(N)N1CCCCC1 SBB056068 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.6 N=C(N)N1CCCCC1 SBB056091 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.6 N=C(N)N1CCNCC1 SBB056109 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.6 N=C(N)N1CCOCC1 SBB056147 [0,2,0,0,0,0|2,0,0]=4 388 B9R1.6 N=C(N)N1CCOCC1 SBB056150 [0,2,0,0,0,0|2,0,0]=4 389 B9R1.6 NC(=O)C1CC=CCC1 SBB056263 [0,2,0,0,0,0|0,0,2]=4 390 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [0,2,0,0,0,0|0,0,0]=2 391 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [0,2,0,0,0,0|1,0,0]=3 392 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [0,2,0,0,0,0|1,0,0]=3 394 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [0,2,0,0,0,0|1,0,0]=3 395 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.6 NC(=O)C1CNCCN1 SBB056122 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.6 NC(=O)N1CCNCC1 SBB010258 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.6 NC(=O)N1CCNCC1 SBB087950 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.6 NC(=S)N1CCCCC1 SBB028272 [0,2,0,0,0,0|1,0,0]=3 400 B9R1.6 NC(=S)N1CCOCC1 SBB086506 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [0,2,0,0,0,0|1,0,0]=3 402 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,2,0,0,0,0|1,0,0]=3 404 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [0,2,0,0,0,0|2,0,0]=4 407 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.6 OB(O)C1CCCCC1 SBB052596 [0,2,0,0,0,0|1,0,0]=3 413 B9R1.8 BrCCC1CCCCN1 SBB018737 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.8 C(=O)NC1CCCCC1 SBB007682 [0,2,0,0,0,0|0,0,0]=2 415 B9R1.8 CCCC1CCCCN1 SBB017578 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.8 CCCC1CCCCN1 SBB050937 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.8 CCCN1CCCCC1 SBB061042 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.8 CCOC1CCNCC1 SBB027269 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.8 CCOC1CCNCC1 SBB080379 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.8 CNCC1COCCO1 SBB002649 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.8 COCC1CCCNC1 SBB050890 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.8 ClCCN1CCCCC1 SBB056102 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.8 N#CCC1CCCCO1 SBB071717 [0,2,0,0,0,0|1,0,1]=4 424 B9R1.8 N#CCC1CCCOC1 SBB027169 [0,2,0,0,0,0|1,0,1]=4 425 B9R1.8 N#CCN1CCCCC1 SBB017050 [0,2,0,0,0,0|1,0,1]=4 426 B9R1.8 NCCC1=CCCCC1 SBB058805 [0,2,0,0,0,0|0,0,2]=4 427 B9R1.8 NCCC1CCCCC1 SBB051424 [0,2,0,0,0,0|0,0,0]=2 428 B9R1.8 NCCC1CCCCO1 SBB072556 [0,2,0,0,0,0|1,0,0]=3 429 B9R1.8 NCCC1CCCOC1 SBB050548 [0,2,0,0,0,0|1,0,0]=3 430 B9R1.8 NCCN1CCCCC1 SBB058602 [0,2,0,0,0,0|1,0,0]=3 431 B9R1.8 NCCN1CCNCC1 SBB004229 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.8 NCCN1CCOCC1 SBB028239 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.8 O=C=NC1CCCCC1 SBB060893 [0,2,0,0,0,0|0,0,1]=3 434 B9R1.8 OCCC1CCCCN1 SBB027305 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.8 OCCC1CCNCC1 SBB027320 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.8 OCCN1CCCCC1 SBB040888 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.8 S=C=NC1CCCCC1 SBB014110 [0,2,0,0,0,0|0,0,1]=3 438 B9R1.15 CN1CCCCC1CBr SBB018986 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.15 CN1CCCCC1CCl SBB054961 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.15 CN1CCCCC1CN SBB085728 [0,2,0,0,0,0|1,0,0]=3 441 B9R1.15 CN1CCCCC1CO SBB062716 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.15 CN[C@H]1CCCC[C@@H]1O SBB302548 [0,2,0,0,0,0|0,0,0]=2 443 B9R1.15 CN[C@H]1CCCC[C@H]1O SBB302547 [0,2,0,0,0,0|0,0,0]=2 444 B9R1.15 O=C1CCCCC1CO SBB054864 [0,2,0,0,0,0|1,0,1]=4 445 B9R1.118 C#CC1(Cl)CCCCC1 SBB001933 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.118 C#CC1(N)CCCCC1 SBB002516 [0,2,0,0,0,0|0,0,0]=2 447 B9R1.118 C#CC1(O)CCCCC1 SBB008829 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.118 OC1(CN)CCCCC1 SBB005863 [0,2,0,0,0,0|0,0,0]=2 449 B9R1.118 OCC1(F)CCCCC1 SBB054863 [0,2,0,0,0,0|1,0,0]=3 450 B9R1.10 NC1CCC(F)(F)CC1 SBB088552 [0,2,0,0,0,0|0,0,0]=2 451 B9R1.10 O=C1CCC(F)(F)CC1 SBB085853 [0,2,0,0,0,0|1,0,1]=4 452 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,2,0,0,0,0|1,0,1]=4 453 B9R1.3 CC1CCCC(C)N1N SBB061736 [0,2,0,0,0,0|1,0,0]=3 454 B9R1.3 CC1CCCC(N)C1C SBB061727 [0,2,0,0,0,0|0,0,0]=2 455 B9R1.34 CC1CC(C)CC(C)C1 SBB061287 [0,2,0,0,0,0|1,0,0]=3 456 B9R1.34 CC1CC(O)CN(C)C1 SBB002820 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.34 OC1CC(O)CC(O)C1 SBB061570 [0,2,0,0,0,0|1,0,0]=3 458 B7R1.7 CCCCC1CO1 SBB017137 [0,0,1,1,0,0|1,0,0]=3 459 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,0,1,1,0,0|1,0,1]=4 460 B7R1.24 C1=CCCCCC1 SBB059889 [0,0,1,1,0,0|1,0,1]=4 461 B7R1.24 C1CCCCCC1 SBB060406 [0,0,1,1,0,0|1,0,0]=3 462 B7R1.24 C1CNCCNC1 SBB004367 [0,0,1,1,0,0|1,0,0]=3 463 B7R1.24 C1CNCCOC1 SBB049498 [0,0,1,1,0,0|1,0,0]=3 464 B7R1.24 N1CCCCCC1 SBB027297 [0,0,1,1,0,0|0,0,0]=2 465 B9R2.68 C1CC2CNCC1O2 SBB056375 [0,0,0,1,0,1|1,0,0]=3 466 B9R2.24 C12CCC(CC1)C2Br SBB054711 [0,1,0,1,0,0|1,0,0]=3 467 B9R2.174 C1CCC2(CC1)NN2 SBB069577 [0,1,0,1,0,0|0,0,0]=2 468 B9R2.39 N[C@H]1C[C@@H]2CCC1C2 SBB017219 [0,1,0,1,0,0|0,0,0]=2 469 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,1,0,1,0,0|1,0,1]=4 470 B5R1.1 C1CSCN1 SBB111928 [1,0,0,0,1,0|2,0,0]=4 471 B5R1.2 OC1CNC1 SBB056270 [0,0,0,0,2,0|2,0,0]=4 472 B9R1.50 NC1CCCCCCC1 SBB004245 [0,0,0,0,0,2|0,0,0]=2 473 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,0,0,0,0,2|1,0,1]=4 474 B9R1.50 OC1CCCCCCC1 SBB058905 [0,0,0,0,0,2|1,0,0]=3