0 B7R0.7 CC#CC(=O)OCC SBB069554 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.7 CCCC(=O)CCC SBB060386 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CCCC(N)CCC SBB018801 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.7 CCCC(O)CCC SBB061327 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.7 CCCN(C)CCC SBB061592 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.7 CCNC(=O)NCC SBB058550 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.7 CCNC(C)CCO SBB046562 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.7 CCOC(=O)CCBr SBB070739 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.7 CCOC(=O)CCN SBB004038 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.7 CCOC(=O)OCC SBB060086 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.7 CCOC(C)OCC SBB058503 [0,0,0,0,0,0|0,0,0]=0 11 B7R0.7 CCOS(=O)OCC SBB060108 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.7 P(=O)(OCC)OCC SBB056825 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCC(C)N=C=S SBB021425 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CCC(O)COC SBB072708 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 CCCC(=O)CC SBB061496 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 CCCC(=O)OC SBB061104 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 CCCC(C)CO SBB061282 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CCCC(O)CC SBB061363 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CCNC(C)CO SBB046531 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.1 CCOC(=O)CBr SBB060995 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.1 CCOC(=O)CC SBB060312 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.1 CNC(C)CCO SBB046542 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.1 CNCC(C)OC SBB049894 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 CCCCCCBr SBB059934 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.6 CCCCCCCl SBB059952 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.6 CCCCCCN SBB059984 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.6 CCCCCCO SBB059899 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 CCCCOC=O SBB060300 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|1,1,0]=3 34 B6R0.6 CCCNCCC SBB059762 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.6 CCCSCCC SBB061017 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.6 CCOCCC#N SBB067181 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 CCOCCCN SBB028180 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.1 C#CCOC(C)OCC SBB008867 [0,1,0,0,0,0|0,0,1]=2 39 B8R0.1 CCC#CC(=O)OCC SBB008819 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.1 CCCCC(=O)OCC SBB061113 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.1 CCCCC(O)CCC SBB059905 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.1 CCCOC(=O)CCC SBB061105 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.1 CCOC(=O)CCCN SBB003878 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.1 CCOC(=O)NCCO SBB079074 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.3 CCN(C)C(C)CCN SBB046528 [0,1,0,0,0,0|3,0,0]=4 48 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.3 CCOC(=O)C(N)CC SBB072718 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.3 CCOC(C)C(=O)NN SBB080048 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.5 CCOC(=O)CC(C)C SBB061114 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.5 CCOC(=O)CC(C)N SBB108871 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.22 C#CC(OCC)OCC SBB008980 [0,1,0,0,0,0|0,0,1]=2 56 B8R0.22 CCCC(C=O)CCC SBB052355 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.22 CCOC(C#N)OCC SBB056427 [0,1,0,0,0,0|0,0,1]=2 58 B8R0.22 CCOC(CBr)OCC SBB060139 [0,1,0,0,0,0|0,0,0]=1 59 B8R0.22 CCOC(CCl)OCC SBB060140 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.22 CCOC(CO)OCC SBB056478 [0,1,0,0,0,0|0,0,0]=1 61 B8R0.22 NCC(OCC)OCC SBB004213 [0,1,0,0,0,0|0,0,0]=1 62 B8R0.30 CCOS(=O)(=O)OCC SBB060663 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.4 CC1CNCC(C)C1 SBB027312 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.4 CC1CNCC(C)O1 SBB040955 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SBB056139 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.8 BrCCC1OCCO1 SBB070738 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.8 CCCC1OCCO1 SBB060981 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.8 CCCC1OCCS1 SBB056724 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.8 COC[C@@H]1CCCN1 SBB006442 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.8 N#CCC1CCCO1 SBB018702 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.8 NCCC1CCCC1 SBB072011 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.8 OCCC1CCCC1 SBB008459 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.22 NC1CCCCCC1 SBB004311 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.22 O=S1OCCCCO1 SBB060665 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.22 OC1CCCCCC1 SBB061138 [0,0,0,1,0,0|3,0,0]=4 80 B5R0.1 CC(C)CCBr SBB061181 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.1 CC(C)CCO SBB060162 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.2 CCNNCC SBB069584 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.2 CCOCCBr SBB008332 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.2 CCOCCCl SBB061015 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.2 CCOCCN SBB072161 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.2 CCSCCN SBB017894 [2,0,0,0,0,0|1,1,0]=4 89 B5R0.3 CCC(C)CBr SBB007669 [2,0,0,0,0,0|1,0,0]=3 90 B5R0.3 CCC(Cl)CCl SBB060453 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.3 CCC(N)CC SBB000050 [2,0,0,0,0,0|1,0,0]=3 92 B5R0.3 CCC(N)CC SBB071911 [2,0,0,0,0,0|1,0,0]=3 93 B5R0.3 P(=O)(OC)OC SBB060964 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [1,1,0,0,0,0|1,0,1]=4 96 B7R0.3 CC(CN)CCCN SBB058625 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.3 CCC(=O)OCCCl SBB060315 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.3 CCN(C)CCCO SBB046555 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.3 CCNCC(O)CC SBB072921 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.3 CCOCC(O)CN SBB017905 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.5 CCCC(C)C(C)O SBB061491 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.5 CCOC(=O)C(C)Br SBB058608 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.5 CCOC(=O)C(C)C SBB060711 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.5 CCOC(=O)C(C)N SBB004040 [1,1,0,0,0,0|1,0,1]=4 105 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.12 CCCC(CO)CO SBB059211 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.1 CCCCCCCBr SBB059936 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.1 CCCCCCCCl SBB059954 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.1 CCCCCCCN SBB059985 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.1 CCCCCCOC SBB061157 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.1 CCCCNCCC SBB059822 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.1 CCCCOCCBr SBB007731 [1,1,0,0,0,0|1,0,0]=3 113 B7R0.1 CCCCOCCCl SBB059964 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.1 CCCCOCCO SBB059918 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.1 CCCCSCCN SBB072659 [1,1,0,0,0,0|1,1,0]=4 116 B7R0.1 CCCCSCCO SBB013616 [1,1,0,0,0,0|1,1,0]=4 117 B7R0.1 CCCCSCCS SBB057435 [1,1,0,0,0,0|1,1,0]=4 118 B7R0.1 CCCOCCCN SBB056585 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.1 CCNCCCCO SBB052126 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.1 CCNCCNCC SBB072869 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.1 COCCOCCCl SBB059966 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.1 COCCOCCO SBB059920 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.1 COCCOCCS SBB061387 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.4 CC(C)OCCCN SBB061717 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.4 CCCCOC(Cl)Cl SBB060510 [1,1,0,0,0,0|2,0,0]=4 126 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [0,2,0,0,0,0|1,0,1]=4 127 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [0,2,0,0,0,0|1,0,1]=4 128 B9R0.40 CCCC(CC)NCCO SBB059831 [0,2,0,0,0,0|2,0,0]=4 129 B9R0.48 CCOC(C)OCC(C)C SBB059867 [0,2,0,0,0,0|0,0,0]=2 130 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,2,0,0,0,0|1,0,1]=4 131 B9R0.15 CCOC(OCC)C(C)Br SBB062824 [0,2,0,0,0,0|0,0,0]=2 132 B9R0.15 CCOC(OCC)C(N)=S SBB056474 [0,2,0,0,0,0|0,0,1]=3 133 B9R0.17 CC#CC(OCC)OCC SBB008845 [0,2,0,0,0,0|0,0,0]=2 134 B9R0.17 NCCC(OCC)OCC SBB005781 [0,2,0,0,0,0|0,0,0]=2 135 B7R1.1 BrCC1CCCC1 SBB054968 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.1 BrCC1CCCO1 SBB003909 [1,0,0,1,0,0|1,0,0]=3 137 B7R1.1 BrCC1OCCO1 SBB070708 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.1 ClCC1CCCN1 SBB018633 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.1 ClCC1CCCO1 SBB008957 [1,0,0,1,0,0|1,0,0]=3 140 B7R1.1 NCC1CCCO1 SBB028168 [1,0,0,1,0,0|1,0,0]=3 141 B7R1.1 OCC1CCCC1 SBB008516 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.1 OCC1CCCO1 SBB058567 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.1 OCC1OCCO1 SBB059646 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.1 OC[C@H]1CCCN1 SBB027252 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.3 BrC1CCCCC1 SBB059944 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.3 CC1SCCCS1 SBB056211 [1,0,0,1,0,0|0,2,0]=4 148 B7R1.3 CN1CCCCC1 SBB060237 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.3 N1CCC(C)CC1 SBB027302 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.3 N1CCCC(C)C1 SBB027301 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.3 N1CCCCC1C SBB027300 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.3 N1CCNC(C)C1 SBB027299 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.3 NC1CCCCC1 SBB040492 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|1,0,1]=4 155 B7R1.3 OC1CCCCC1 SBB060483 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.3 OC1CCCCO1 SBB055947 [1,0,0,1,0,0|1,0,0]=3 157 B7R1.24 C1CCCCCC1 SBB060406 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.24 C1CNCCOC1 SBB049498 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.24 N1CCCCCC1 SBB027297 [1,0,0,1,0,0|2,0,0]=4 160 B9R1.2 CN1CCOC(CN)C1 SBB002810 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.7 CCCC1OCC(C)O1 SBB060973 [0,1,0,1,0,0|1,0,0]=3 162 B9R1.8 BrCCC1OCCCO1 SBB054748 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.8 CCCC1CCCCN1 SBB017578 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.8 CCCC1CCCCN1 SBB050937 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.8 CCCC1OCCCO1 SBB060994 [0,1,0,1,0,0|1,0,0]=3 166 B9R1.8 CCOC1CCNCC1 SBB027269 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.8 CCOC1CCNCC1 SBB080379 [0,1,0,1,0,0|1,0,0]=3 168 B9R1.8 CNCC1COCCO1 SBB002649 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.8 NCCC1CCCCO1 SBB072556 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.8 NCCC1CCCOC1 SBB050548 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.12 CCCNC1CCCC1 SBB080044 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.12 CCNCC1CCCO1 SBB080022 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.134 CNCC1(C)OCCO1 SBB002814 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.3 CC1CCCC(C)N1N SBB061736 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.34 CC1CC(C)CC(C)C1 SBB061287 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.34 CC1NC(C)NC(C)N1 SBB071507 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.14 CCN1CCCC1CN SBB048031 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.14 CCN1CCCC1CO SBB108758 [0,1,0,1,0,0|2,0,0]=4 182 B9R2.68 C1CC2CNCC1O2 SBB056375 [0,0,0,2,0,0|2,0,0]=4