0 B5R0.1 CC(=O)CC#N SBB014113 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC(C)=CCBr SBB061690 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(C)CCBr SBB061181 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.1 CC(C)CCO SBB060162 [0,0,0,0,0,0|0,0,0]=0 4 B5R0.1 CC(C)CNN SBB042741 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 CC(C)N=C=O SBB046976 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(C)N=C=S SBB056455 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.1 CC(C)SC#N SBB060088 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CCCC(=O)Cl SBB040624 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CN(C)CCBr SBB073020 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 CN(C)CCN SBB007533 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CS(=O)CCN SBB050811 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 O=C(O)CCBr SBB065770 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 O=C(O)CCCl SBB069140 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 CC(Br)CBr SBB060202 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 CC(Br)CCl SBB061477 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 CC(C)CBr SBB059932 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 CC(C)NN SBB002129 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 CC(Cl)CCl SBB059979 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 CCC(C)Br SBB059931 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 CCN(C)N SBB107453 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 ClC(Br)CBr SBB059976 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 NCC(F)F SBB009831 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 OCC(F)F SBB021966 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 BrCCCBr SBB060203 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 CCCCBr SBB059930 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.2 CNCC#N SBB071612 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 CNCCI SBB071605 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 COCCBr SBB007906 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 C\C=C\CC SBB059879 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.2 ClCCCBr SBB058669 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.2 ClCCCCl SBB040918 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 OCCCBr SBB054750 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.2 [NH2+](CC)CC SBB059849 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.1 C#CC(O)CCC SBB067434 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.1 CCC(C)N=C=S SBB021425 [0,1,0,0,0,0|1,1,1]=4 38 B6R0.1 CCC(O)COC SBB072708 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.1 CCCC(=O)CC SBB061496 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 CCCC(=O)OC SBB061104 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 CCCC(C)CO SBB061282 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.1 CCCC(O)CC SBB061363 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.1 CCNC(C)CO SBB046531 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.1 CNC(C)CCO SBB046542 [0,1,0,0,0,0|0,0,0]=1 45 B6R0.1 CNCC(C)OC SBB049894 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.1 COC(=O)CCBr SBB070709 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 COC(=O)CCN SBB071679 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 COCC(O)CN SBB051203 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 OC(CBr)CCBr SBB007842 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.1 OCNC(=O)CCl SBB004273 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.2 CC(=O)CC(C)C SBB060384 [0,1,0,0,0,0|0,0,2]=3 52 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,1,0,0,0,0|0,0,3]=4 53 B6R0.2 CC(C)CB(O)O SBB062832 [0,1,0,0,0,0|1,0,0]=2 54 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,1,0,0,0,0|0,0,2]=3 55 B6R0.2 CC(C)CC(C)Br SBB007950 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.2 CC(C)CC(C)O SBB061337 [0,1,0,0,0,0|0,0,0]=1 57 B6R0.2 CC(C)CC(N)=O SBB028167 [0,1,0,0,0,0|0,0,2]=3 58 B6R0.2 CC(C)NC(C)C SBB059763 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.2 CC(O)CC(=O)O SBB065815 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.2 CC(O)CN(C)C SBB060002 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.2 CN(C)CC(=O)O SBB065779 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.3 C#CC(O)C(C)C SBB009138 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.3 CC(C)C(=O)NN SBB030401 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 CC(C)\C(N)=N/O SBB028172 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.3 CC(CN)N(C)C SBB043927 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.3 CC(CO)[N+](=O)[O-] SBB108844 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.3 CCC(C)C(C)C SBB061452 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.3 CN(C)C(=O)CCl SBB038711 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 COC(=O)C(C)C SBB061111 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 NC(=O)C(N)CO SBB004161 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.3 NC(CO)C(=O)O SBB061655 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 C=CCCC(C)=O SBB009089 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.4 C=COCC(C)C SBB060157 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.4 CC(=O)NCCCl SBB008165 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.4 CC(=O)NCCN SBB028176 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.4 CC(=O)NCCO SBB007954 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.4 CC(=O)OCCCl SBB058505 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.4 CC(C)CN=C=S SBB017613 [0,1,0,0,0,0|0,1,1]=3 80 B6R0.4 CC(C)COC=O SBB061244 [0,1,0,0,0,0|0,0,2]=3 81 B6R0.4 CC(C)NCCN SBB048119 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.4 CC(C)NCCO SBB056428 [0,1,0,0,0,0|0,0,0]=1 83 B6R0.4 CC(C)OCCN SBB301616 [0,1,0,0,0,0|1,0,0]=2 84 B6R0.4 CCC#CC(C)O SBB067141 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 CCCCC(C)=O SBB061262 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.4 CCCCC(C)O SBB061290 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.4 CCCCN(C)C SBB060243 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.4 CCCOC(C)=O SBB060305 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.4 CCOCC(C)O SBB061006 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.4 CN(C)CCC#N SBB068380 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.4 CN(C)CCCN SBB028177 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.5 CC#CC(C)(C)O SBB009136 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.5 CC(C)(C)CCCl SBB059953 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.5 CC(C)(C)CCN SBB059532 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.5 CC(C)(C)N=C=O SBB067148 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.5 CC(C)(C)N=C=S SBB066555 [0,1,0,0,0,0|1,1,1]=4 97 B6R0.5 CC(C)(C)ON=O SBB007659 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.5 CCCC(C)(C)N SBB052122 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.5 CCNC(C)(C)C SBB052124 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.5 CS(=O)(=O)CCN SBB047603 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.5 C[N+](C)(C)CCO SBB060960 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.5 FC(F)(F)CCBr SBB008495 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.5 FC(F)(F)CCCl SBB072694 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.5 NCCC(F)(F)Br SBB094383 [0,1,0,0,0,0|3,0,0]=4 105 B6R1.2 BrC1CCCC1 SBB040823 [0,0,0,1,0,0|2,0,0]=3 106 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,0,0,1,0,0|2,0,0]=3 107 B6R1.2 N1CCC(N)C1 SBB027337 [0,0,0,1,0,0|2,0,0]=3 108 B6R1.2 NC1CCCC1 SBB040467 [0,0,0,1,0,0|2,0,0]=3 109 B6R1.2 NC1CCNC1 SBB003982 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.2 NN1CCCC1 SBB066760 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,1,0,0|2,0,1]=4 112 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,1,0,0|1,1,1]=4 113 B6R1.2 OC1CCNC1 SBB056152 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,0,0,1,0,0|2,0,0]=3 115 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,0,0,1,0,0|2,0,0]=3 116 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,0,0,1,0,0|1,0,0]=2 117 B6R1.3 S=C=NC1CC1 SBB017403 [0,0,0,1,0,0|1,1,1]=4 118 B6R1.9 NC1CC1(F)F SBB085744 [0,0,0,1,0,0|3,0,0]=4 119 B6R1.10 CC1(N)CCC1 SBB072407 [0,0,0,1,0,0|2,0,0]=3 120 B6R1.11 CC(=O)C1CC1 SBB040825 [0,0,0,1,0,0|2,0,1]=4 121 B6R1.11 CC(N)C1CC1 SBB027096 [0,0,0,1,0,0|2,0,0]=3 122 B3R0.1 BrCCBr SBB040806 [2,0,0,0,0,0|2,0,0]=4 123 B3R0.1 CCCBr SBB040931 [2,0,0,0,0,0|1,0,0]=3 124 B3R0.1 ClCCCl SBB040805 [2,0,0,0,0,0|2,0,0]=4 125 B3R0.1 NCCBr SBB005857 [2,0,0,0,0,0|2,0,0]=4 126 B3R0.1 NCCCl SBB005775 [2,0,0,0,0,0|2,0,0]=4 127 B3R0.1 OCCBr SBB058668 [2,0,0,0,0,0|1,0,0]=3 128 B3R0.1 [NH3+]CCBr SBB060242 [2,0,0,0,0,0|2,0,0]=4 129 B3R0.2 CC(C)Br SBB060452 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.3 CCC(C)CBr SBB007669 [1,1,0,0,0,0|0,0,0]=2 131 B5R0.3 CCC(Cl)CCl SBB060453 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.3 CCC(N)CC SBB000050 [1,1,0,0,0,0|1,0,0]=3 133 B5R0.3 CCC(N)CC SBB071911 [1,1,0,0,0,0|1,0,0]=3 134 B5R0.3 ClCC(Cl)CCl SBB060982 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.3 OC(CCl)CCl SBB060190 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.3 OCC(O)CCl SBB060480 [1,1,0,0,0,0|1,0,0]=3 137 B5R0.4 CC(C)(C)NO SBB056490 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.4 CC(C)(N)C#N SBB043968 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.4 NNC(C)(C)C SBB005864 [1,1,0,0,0,0|2,0,0]=4 140 B5R0.5 CC(=O)C(C)Cl SBB060958 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.5 CC(=S)N(C)C SBB007924 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.5 CC(Br)C(=O)O SBB060286 [1,1,0,0,0,0|1,0,1]=4 143 B5R0.5 CC(Br)C(Cl)Br SBB059977 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.5 CC(Br)C(Cl)Cl SBB060490 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.5 CC(C)C(=N)N SBB056456 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.5 CC(C)C(=O)Cl SBB060269 [1,1,0,0,0,0|0,0,2]=4 147 B5R0.5 CC(O)C(=O)O SBB065762 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.2 BrCCCCBr SBB060204 [1,1,0,0,0,0|1,0,0]=3 149 B5R0.2 CC#CCCO SBB009118 [1,1,0,0,0,0|0,0,1]=3 150 B5R0.2 CCC#CCO SBB009120 [1,1,0,0,0,0|0,0,1]=3 151 B5R0.2 CCCCCBr SBB059933 [1,1,0,0,0,0|1,0,0]=3 152 B5R0.2 CCCCCCl SBB059951 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.2 CCCN=C=S SBB060984 [1,1,0,0,0,0|0,1,1]=4 154 B5R0.2 CCNNCC SBB069584 [1,1,0,0,0,0|2,0,0]=4 155 B5R0.2 CCOCCBr SBB008332 [1,1,0,0,0,0|1,0,0]=3 156 B5R0.2 CCOCCCl SBB061015 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.2 CCOCCN SBB072161 [1,1,0,0,0,0|1,0,0]=3 158 B5R0.2 CCSCCN SBB017894 [1,1,0,0,0,0|1,0,0]=3 159 B5R0.2 CNCCCN SBB059823 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.2 CSCCCO SBB056451 [1,1,0,0,0,0|0,0,0]=2 161 B5R0.2 FCCCCBr SBB087044 [1,1,0,0,0,0|1,0,0]=3 162 B5R0.2 N#CCCCBr SBB054746 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.2 N#CCCCCl SBB061739 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.2 NCCCCN SBB059998 [1,1,0,0,0,0|1,0,0]=3 165 B5R0.2 OCCCCCl SBB002444 [1,1,0,0,0,0|0,0,0]=2 166 B7R0.2 CC(C)CC(=O)NN SBB021012 [0,2,0,0,0,0|0,0,2]=4 167 B7R0.2 CC(C)NC(=O)CBr SBB051007 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.2 CC(C)NC(=O)CCl SBB016573 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.2 CC(C)NC(=O)CN SBB085357 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,2,0,0,0,0|0,1,1]=4 172 B7R0.2 CC(CO)CN(C)C SBB046544 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,2,0,0,0,0|0,0,1]=3 175 B7R0.2 CCC(O)CN(C)C SBB061151 [0,2,0,0,0,0|1,0,0]=3 176 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.3 CC(CN)CCCN SBB058625 [0,2,0,0,0,0|1,0,0]=3 179 B7R0.3 CCC(C)CN=C=S SBB085743 [0,2,0,0,0,0|0,1,1]=4 180 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.3 CCN(C)CCCO SBB046555 [0,2,0,0,0,0|1,0,0]=3 182 B7R0.3 CCNCC(O)CC SBB072921 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.3 CCOCC(O)CN SBB017905 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,2,0,0,0,0|1,1,0]=4 185 B7R0.5 CC(CCN)N(C)C SBB046536 [0,2,0,0,0,0|1,0,0]=3 186 B7R0.5 CC(CCO)N(C)C SBB046554 [0,2,0,0,0,0|0,0,0]=2 187 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.5 CCCC(C)C(C)O SBB061491 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.5 CN(C)C(=O)CCN SBB085472 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.7 CCCC(N)CCC SBB018801 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.7 CCCC(O)CCC SBB061327 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.7 CCCN(C)CCC SBB061592 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.7 CCNC(C)CCO SBB046562 [0,2,0,0,0,0|0,0,0]=2 197 B7R0.7 CCOC(C)OCC SBB058503 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.10 COC(=O)C(N)CO SBB004026 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.10 ClCC(Cl)C(Cl)CCl SBB060986 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.10 OCC(Br)C(Br)CO SBB070873 [0,2,0,0,0,0|1,0,0]=3 201 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,2,0,0,0,0|0,0,0]=2 202 B7R0.11 C#CC(C)(O)CCC SBB002538 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.11 CCS(=O)(=O)CCO SBB008148 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.12 CCCC(CO)CO SBB059211 [0,2,0,0,0,0|1,0,0]=3 205 B7R0.12 CCN(CC)CCN SBB060903 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.12 CCN(CC)CCO SBB058521 [0,2,0,0,0,0|1,0,0]=3 207 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,2,0,0,0,0|0,0,2]=4 208 B7R0.9 CC(C)(C)CC(=O)Cl SBB058618 [0,2,0,0,0,0|0,0,2]=4 209 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,2,0,0,0,0|0,0,1]=3 210 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,2,0,0,0,0|0,0,1]=3 211 B7R0.9 CC(O)CC(C)(C)N SBB084391 [0,2,0,0,0,0|0,0,0]=2 212 B7R0.9 CC(O)CC(C)(C)O SBB061336 [0,2,0,0,0,0|0,0,0]=2 213 B7R0.9 N(C(C)C)C(C)(C)C SBB006672 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [0,2,0,0,0,0|0,0,2]=4 216 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,2,0,0,0,0|0,0,1]=3 217 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,2,0,0,0,0|0,0,1]=3 218 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,2,0,0,0,0|0,0,1]=3 219 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [0,2,0,0,0,0|0,0,2]=4 220 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.13 C#CC(C)(O)C(C)C SBB008720 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.13 CN(C)C(C)(C)CN SBB085384 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.14 CC(C)(C)C(=O)CBr SBB006551 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.14 CC(C)(C)C(=O)CCl SBB006668 [0,2,0,0,0,0|1,0,1]=4 225 B7R0.14 CCC(O)C(C)(C)C SBB008540 [0,2,0,0,0,0|1,0,0]=3 226 B7R0.14 C\C(=N/O)C(C)(C)C SBB007770 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.14 C\C(=N/O)C(C)(C)O SBB058302 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.4 CC(C)CCCCBr SBB008833 [0,2,0,0,0,0|1,0,0]=3 229 B7R0.4 CC(C)OCCC#N SBB080430 [0,2,0,0,0,0|1,0,0]=3 230 B7R0.4 CC(C)OCCCN SBB061717 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.4 CC(Cl)COCCCl SBB056511 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.4 CCC#CCN(C)C SBB008768 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.4 CCCOCC(C)O SBB061007 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.4 CN(C)CCCC#N SBB072052 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.4 CN(C)CCCCN SBB008514 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.4 CNCCCN(C)C SBB052125 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.4 COCCNC(C)C SBB302570 [0,2,0,0,0,0|0,0,0]=2 238 B7R0.4 COCCOC(C)=O SBB060999 [0,2,0,0,0,0|1,0,1]=4 239 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,2,0,0,0,0|0,0,0]=2 241 B7R0.6 CC(C)CCC(C)N SBB008544 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.6 CC(C)CCC(C)O SBB061318 [0,2,0,0,0,0|0,0,0]=2 243 B7R0.6 CC(C)CNC(C)C SBB046539 [0,2,0,0,0,0|1,0,0]=3 244 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,2,0,0,0,0|0,0,2]=4 245 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,2,0,0,0,0|0,0,2]=4 246 B7R0.6 CC(O)C#CC(C)O SBB067653 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.6 CC(O)COC(C)C SBB061008 [0,2,0,0,0,0|0,0,0]=2 248 B7R0.6 CN(C)CCN(C)C SBB060239 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.8 CC(C)(C)OCCO SBB060172 [0,2,0,0,0,0|0,0,0]=2 250 B7R0.8 CCNCC(C)(C)C SBB080378 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.8 CNCCC(C)(C)C SBB080385 [0,2,0,0,0,0|1,0,0]=3 252 B5R1.2 OC1CNC1 SBB056270 [1,0,0,1,0,0|2,0,0]=4 253 B5R1.3 BrCC1CC1 SBB054967 [1,0,0,1,0,0|1,0,0]=3 254 B5R1.3 NCC1CC1 SBB047771 [1,0,0,1,0,0|1,0,0]=3 255 B5R1.3 OCC1CC1 SBB059473 [1,0,0,1,0,0|0,0,0]=2 256 B5R1.1 C1CSCN1 SBB111928 [1,0,0,1,0,0|1,1,0]=4 257 B7R1.1 BrCC1CCCC1 SBB054968 [0,1,0,1,0,0|1,0,0]=3 258 B7R1.1 BrCC1CCCO1 SBB003909 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.1 ClCC1CCCN1 SBB018633 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.1 ClCC1CCCO1 SBB008957 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.1 N#CC1CCCC1 SBB008886 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.1 NCC1CCCO1 SBB028168 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.1 NNC1CCCC1 SBB301621 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.1 O=CC1CCCC1 SBB069481 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.1 O=CC1CCOC1 SBB052278 [0,1,0,1,0,0|0,0,1]=3 266 B7R1.1 OCC1CCCC1 SBB008516 [0,1,0,1,0,0|1,0,0]=3 267 B7R1.1 OCC1CCCO1 SBB058567 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.1 OCC1CCNC1 SBB046413 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,1,0,1,0,0|1,0,1]=4 271 B7R1.3 BrC1CCCCC1 SBB059944 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.3 BrC1CCNCC1 SBB054613 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.3 CC1CC=CCC1 SBB060473 [0,1,0,1,0,0|1,0,0]=3 274 B7R1.3 CC1CCCCC1 SBB061163 [0,1,0,1,0,0|1,0,0]=3 275 B7R1.3 CC1SCCCS1 SBB056211 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.3 CN1CCCCC1 SBB060237 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.3 CN1CCOCC1 SBB061013 [0,1,0,1,0,0|1,0,0]=3 278 B7R1.3 ClC1CCOCC1 SBB070678 [0,1,0,1,0,0|1,0,0]=3 279 B7R1.3 FC1CCCNC1 SBB070684 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.3 FC1CCNCC1 SBB070685 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.3 N1CCC(C)CC1 SBB027302 [0,1,0,1,0,0|1,0,0]=3 282 B7R1.3 N1CCCC(C)C1 SBB027301 [0,1,0,1,0,0|1,0,0]=3 283 B7R1.3 N1CCCC(O)C1 SBB004193 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.3 N1CCCCC1C SBB027300 [0,1,0,1,0,0|1,0,0]=3 285 B7R1.3 N1CCN(C)CC1 SBB027304 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.3 N1CCNC(C)C1 SBB027299 [0,1,0,1,0,0|1,0,0]=3 287 B7R1.3 NC1CCCCC1 SBB040492 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.3 NC1CCCNC1 SBB052004 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.3 NC1CCCOC1 SBB012974 [0,1,0,1,0,0|1,0,0]=3 290 B7R1.3 NC1CCNCC1 SBB028166 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.3 NC1CCOCC1 SBB014873 [0,1,0,1,0,0|1,0,0]=3 292 B7R1.3 NC1CCOCC1 SBB069906 [0,1,0,1,0,0|1,0,0]=3 293 B7R1.3 NN1CCOCC1 SBB004363 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.3 O=C1CCOCC1 SBB049627 [0,1,0,1,0,0|1,0,1]=4 297 B7R1.3 OC1CCCCC1 SBB060483 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.3 OC1CCCCO1 SBB055947 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.3 OC1CCCNC1 SBB027351 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.3 OC1CCNCC1 SBB027346 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.3 OC1CCOCC1 SBB055945 [0,1,0,1,0,0|1,0,0]=3 302 B7R1.4 BrC1CCCC1Br SBB060684 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.4 ClC1CCCC1Cl SBB060212 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,1,0,0|1,0,1]=4 305 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,1,0,0|1,0,1]=4 306 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,1,0,1,0,0|1,1,0]=4 307 B7R1.4 O=C1OCCC1Br SBB083094 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.4 OC1CCCC1Cl SBB060196 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.6 N#CCC1CCC1 SBB071683 [0,1,0,1,0,0|1,0,1]=4 311 B7R1.10 C=C1CC(CN)C1 SBB052508 [0,1,0,1,0,0|1,0,1]=4 312 B7R1.10 O=C1CC(CO)C1 SBB054867 [0,1,0,1,0,0|0,0,2]=4 313 B7R1.22 N\C(=N/O)C1CC1 SBB024038 [0,1,0,1,0,0|1,0,1]=4 314 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,1,0,1,0,0|1,0,1]=4 315 B7R1.25 CC1(CN)COC1 SBB303303 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.25 CC1(CO)COC1 SBB006512 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.25 CC1(CO)COC1 SBB009078 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,1,0,1,0,0|0,0,1]=3 319 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,1,0,1,0,0|0,0,1]=3 320 B7R1.7 CCCCC1CO1 SBB017137 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.14 CC1(C)COCN1 SBB059841 [0,1,0,1,0,0|1,0,0]=3 322 B7R1.14 FC1(F)CCNC1 SBB086302 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.26 CC(C)(O)C1CC1 SBB059210 [0,1,0,1,0,0|1,0,0]=3