0 B6R0.1 C#CC(=O)OCC SBB060344 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 C#CC(O)CCC SBB067434 [0,0,0,0,0,0|0,0,4]=4 2 B6R0.1 C=CC(=O)OCC SBB060348 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CCC(O)COC SBB072708 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.1 CCCC(=O)CC SBB061496 [0,0,0,0,0,0|0,0,0]=0 5 B6R0.1 CCCC(=O)NN SBB028175 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 CCCC(=O)OC SBB061104 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.1 CCCC(C)CO SBB061282 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCCC(O)CC SBB061363 [0,0,0,0,0,0|0,0,2]=2 9 B6R0.1 CCC\C(N)=N/O SBB028173 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CCNC(=O)CBr SBB051008 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCNC(=O)CCl SBB008200 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 CCNC(=S)NN SBB072595 [0,0,0,0,0,0|3,1,0]=4 13 B6R0.1 CCNC(C)CO SBB046531 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CCOC(=O)CBr SBB060995 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCOC(=O)CC SBB060312 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.1 CCOC(=O)NN SBB028182 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.1 CNC(C)CCO SBB046542 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 CNCC(C)OC SBB049894 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 COC(=O)CC#N SBB059483 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.1 COC(=O)CCBr SBB070709 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.1 COC(=O)CCN SBB071679 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.1 COCC(=O)NN SBB021113 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.1 COCC(O)CN SBB051203 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 C\C=C\C(=O)OC SBB061218 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.1 N#CCC(=O)NN SBB028164 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 OC(CBr)CCBr SBB007842 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.1 OCNC(=O)CCl SBB004273 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.1 C#CCC(=O)O SBB116169 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 CC(=O)CC#N SBB014113 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.1 CC(=O)N=S=O SBB059583 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CC(C)=CCBr SBB061690 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CC(C)CCBr SBB061181 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CC(C)CCO SBB060162 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 CCOC(=O)Cl SBB040861 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 CN(C)CCBr SBB073020 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 CN(C)CCN SBB007533 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 COCC(=O)O SBB061376 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.1 CS(=O)CCN SBB050811 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CSCC(=O)O SBB053570 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 C\C(Cl)=C\CN SBB301293 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 N#CCC(N)=O SBB007540 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 O=C(O)CCBr SBB065770 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 O=C(O)CCCl SBB069140 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 [NH+](C)(C)CCCl SBB057087 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.2 BrCCCCBr SBB060204 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 BrC\C=C\CBr SBB059946 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 CC#CCCO SBB009118 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.2 CCC#CCO SBB009120 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.2 CCCCCBr SBB059933 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.2 CCCCCCl SBB059951 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.2 CCCN=C=S SBB060984 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 CCNNCC SBB069584 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.2 CCOCCBr SBB008332 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 CCOCCCl SBB061015 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.2 CCOCCN SBB072161 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.2 CCSCCN SBB017894 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.2 CNCCCN SBB059823 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.2 CSCCCO SBB056451 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 ClC\C=C\CCl SBB060216 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.2 FCCCCBr SBB087044 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.2 NCCCCN SBB059998 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 OCCCCCl SBB002444 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 C#CC(=O)OC SBB049642 [1,0,0,0,0,0|1,0,2]=4 66 B5R0.3 C=C(CCl)CCl SBB061694 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.3 CCC(=O)NN SBB021112 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.3 CCC(C)CBr SBB007669 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.3 CCC(Cl)CCl SBB060453 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.3 CCC(N)CC SBB000050 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.3 CCC(N)CC SBB071911 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.3 CC\C(N)=N\O SBB024198 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.3 CNC(=O)CBr SBB080576 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.3 CNC(=O)CCl SBB049936 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.3 CNC(=S)NC SBB060411 [1,0,0,0,0,0|2,1,0]=4 76 B5R0.3 COC(=O)CBr SBB056823 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.3 COC(=O)CCl SBB040686 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.3 COC(=O)NN SBB061728 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.3 NNC(=O)CO SBB111858 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.3 P(=O)(OC)OC SBB060964 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.2 CC(C)CC(=O)NN SBB021012 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.2 CC(C)NC(=O)CBr SBB051007 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.2 CC(C)NC(=O)CCl SBB016573 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.2 CC(C)NC(=O)CN SBB085357 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.2 CCC(O)CN(C)C SBB061151 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.2 COC(=O)C[N+](=O)[O-] SBB001681 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.2 COC(=O)\C=C(\C)N SBB061677 [0,1,0,0,0,0|1,0,2]=4 94 B7R0.3 C=C(CC)CCCC SBB060475 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.3 C=CCNC(=O)CCl SBB085845 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.3 CC(CN)CCCN SBB058625 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.3 CCC(=O)OCCCl SBB060315 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.3 CCCCC(=O)NN SBB028196 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.3 CCCNC(=O)CCl SBB016586 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.3 CCCOC(=O)CCl SBB060962 [0,1,0,0,0,0|1,0,0]=2 102 B7R0.3 CCCOC(=O)CS SBB061003 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.3 CCN(C)CCCO SBB046555 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.3 CCNCC(O)CC SBB072921 [0,1,0,0,0,0|0,0,2]=3 105 B7R0.3 CCOCC(=O)NN SBB080108 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.3 CCOCC(O)CN SBB017905 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.3 CNCCC(=O)NC SBB046578 [0,1,0,0,0,0|1,0,0]=2 108 B7R0.3 CNCCC(=O)NC SBB080433 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.3 COC(=N)CCCCl SBB056505 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.3 COC(=O)\C=C\CBr SBB070730 [0,1,0,0,0,0|1,0,2]=4 111 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.3 NNC(=O)CCCO SBB028199 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,1,0,0,0,0|1,0,1]=3 116 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.5 CCCC(C)C(C)O SBB061491 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.5 CCOC(=O)C(F)Br SBB070746 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.5 CCOC(=O)C(F)I SBB097841 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.5 CCOC(=O)C(N)=S SBB056420 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.5 CN(C)C(=O)CC#N SBB066046 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.5 CN(C)C(=O)CCN SBB085472 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.7 C=C=CC(=O)OCC SBB054147 [0,1,0,0,0,0|0,0,3]=4 127 B7R0.7 CC#CC(=O)OCC SBB069554 [0,1,0,0,0,0|0,0,2]=3 128 B7R0.7 CCCC(=O)CCC SBB060386 [0,1,0,0,0,0|0,0,0]=1 129 B7R0.7 CCCC(N)CCC SBB018801 [0,1,0,0,0,0|1,0,1]=3 130 B7R0.7 CCCC(O)CCC SBB061327 [0,1,0,0,0,0|0,0,2]=3 131 B7R0.7 CCCN(C)CCC SBB061592 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.7 CCNC(=O)CC#N SBB000040 [0,1,0,0,0,0|1,0,1]=3 133 B7R0.7 CCNC(=O)NCC SBB058550 [0,1,0,0,0,0|1,0,0]=2 134 B7R0.7 CCNC(C)CCO SBB046562 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.7 CCOC(=O)CC#N SBB040821 [0,1,0,0,0,0|1,0,1]=3 136 B7R0.7 CCOC(=O)CCBr SBB070739 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.7 CCOC(=O)CCN SBB004038 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.7 CCOC(=O)CNN SBB021976 [0,1,0,0,0,0|2,0,0]=3 139 B7R0.7 CCOC(=O)CNN SBB054137 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.7 CCOC(=O)N=C=S SBB066610 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.7 CCOC(=O)OCC SBB060086 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.7 CCOC(C)OCC SBB058503 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.7 CCOS(=O)OCC SBB060108 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,1,0,0,0,0|0,0,2]=3 145 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.7 O=C(NCO)NCO SBB071713 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.7 P(=O)(OCC)OCC SBB056825 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,1,0,0,0,0|1,0,0]=2 149 B7R0.10 CNC(=O)C(=O)NC SBB007883 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.10 COC(=O)C(N)CO SBB004026 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.10 COC(=O)C(N)CS SBB054105 [0,1,0,0,0,0|2,0,0]=3 154 B7R0.10 COC(C)C(=O)NN SBB080152 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.11 CCS(=O)(=O)CCCl SBB019269 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.11 CCS(=O)(=O)CCO SBB008148 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.11 CNS(=O)(=O)CCN SBB014589 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.12 CCCC(CO)CO SBB059211 [0,1,0,0,0,0|1,0,2]=4 160 B7R0.12 CCN(CC)CCN SBB060903 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.12 CCN(CC)CCO SBB058521 [0,1,0,0,0,0|3,0,0]=4 162 B7R1.1 BrCC1CCCC1 SBB054968 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.1 BrCC1CCCO1 SBB003909 [0,0,0,1,0,0|1,0,2]=4 164 B7R1.1 CSC1=NCCN1 SBB055871 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.1 ClCC1CCCN1 SBB018633 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.1 ClCC1CCCO1 SBB008957 [0,0,0,1,0,0|1,0,2]=4 167 B7R1.1 N#CC1=CCCC1 SBB007727 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.1 N1CCN=C1SC SBB037853 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.1 NCC1CCCO1 SBB028168 [0,0,0,1,0,0|1,0,2]=4 170 B7R1.1 OCC1CCCC1 SBB008516 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.1 OCC1CCCO1 SBB058567 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.1 ON=C1CCCC1 SBB060393 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.2 CC1CNC(=S)N1 SBB055856 [0,0,0,1,0,0|2,1,0]=4 175 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.3 BrC1CCCCC1 SBB059944 [0,0,0,1,0,0|1,0,1]=3 181 B7R1.3 BrC1CCNCC1 SBB054613 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.3 CC1CCCCC1 SBB061163 [0,0,0,1,0,0|1,0,1]=3 183 B7R1.3 CN1CCCCC1 SBB060237 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.3 CN1CCOCC1 SBB061013 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.3 ClC1CCOCC1 SBB070678 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.3 FC1CCCNC1 SBB070684 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.3 FC1CCNCC1 SBB070685 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.3 N1CCC(C)CC1 SBB027302 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.3 N1CCCC(C)C1 SBB027301 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.3 N1CCCC(O)C1 SBB004193 [0,0,0,1,0,0|1,0,2]=4 191 B7R1.3 N1CCCCC1C SBB027300 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.3 N1CCN(C)CC1 SBB027304 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.3 NC1CCCCC1 SBB040492 [0,0,0,1,0,0|1,0,1]=3 194 B7R1.3 NC1CCCNC1 SBB052004 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.3 NC1CCCOC1 SBB012974 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.3 NC1CCNCC1 SBB028166 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.3 NC1CCOCC1 SBB014873 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.3 NC1CCOCC1 SBB069906 [0,0,0,1,0,0|2,0,1]=4 199 B7R1.3 NN1CCCCC1 SBB067336 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.3 NN1CCOCC1 SBB004363 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,0,1,0,0|0,0,2]=3 204 B7R1.3 O=C1CCCCC1 SBB060074 [0,0,0,1,0,0|0,0,0]=1 205 B7R1.3 O=C1CCCCO1 SBB060349 [0,0,0,1,0,0|1,0,0]=2 206 B7R1.3 O=C1CCOCC1 SBB049627 [0,0,0,1,0,0|1,0,0]=2 207 B7R1.3 O=C1CCSCC1 SBB048121 [0,0,0,1,0,0|1,0,0]=2 208 B7R1.3 O=C1CNCCN1 SBB000034 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.3 OC1CCCCC1 SBB060483 [0,0,0,1,0,0|0,0,2]=3 210 B7R1.3 OC1CCCCO1 SBB055947 [0,0,0,1,0,0|1,0,2]=4 211 B7R1.3 OC1CCCNC1 SBB027351 [0,0,0,1,0,0|1,0,2]=4 212 B7R1.3 OC1CCNCC1 SBB027346 [0,0,0,1,0,0|1,0,2]=4 213 B7R1.3 OC1CCOCC1 SBB055945 [0,0,0,1,0,0|1,0,2]=4 214 B7R1.3 S=C1NCCCN1 SBB017542 [0,0,0,1,0,0|2,1,0]=4 215 B7R1.3 S=C1NCCCS1 SBB085843 [0,0,0,1,0,0|2,1,0]=4 216 B7R1.3 SC1=NCCCN1 SBB039536 [0,0,0,1,0,0|2,1,0]=4 217 B7R1.4 BrC1CCCC1Br SBB060684 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.4 CN1CCCC1=O SBB060297 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.4 ClC1CCCC1Cl SBB060212 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.4 NC1CCOC1=O SBB004366 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.4 NC1CCOC1=O SBB057192 [0,0,0,1,0,0|2,0,0]=3 222 B7R1.4 NC1CCSC1=O SBB004035 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.4 O=C1OCCC1Br SBB083094 [0,0,0,1,0,0|2,0,0]=3 225 B7R1.4 OC1CCCC1Cl SBB060196 [0,0,0,1,0,0|1,0,2]=4 226 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.22 COC(=O)C1CN1 SBB054042 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.22 NNC(=O)C1CC1 SBB021014 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.22 N\C(=N/O)C1CC1 SBB024038 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,0,0,1,0,0|1,0,0]=2 231 B4R0.1 CCC(C)Br SBB059931 [2,0,0,0,0,0|1,0,1]=4 232 B4R0.1 CCN(C)N SBB107453 [2,0,0,0,0,0|2,0,0]=4 233 B4R0.1 NCC(=O)O SBB071447 [2,0,0,0,0,0|2,0,0]=4 234 B4R0.1 NCC(=O)[O-] SBB116671 [2,0,0,0,0,0|2,0,0]=4 235 B4R0.1 O=C(Br)CBr SBB040828 [2,0,0,0,0,0|2,0,0]=4 236 B4R0.1 O=C(Cl)CBr SBB051682 [2,0,0,0,0,0|2,0,0]=4 237 B4R0.1 O=C(Cl)CCl SBB040859 [2,0,0,0,0,0|2,0,0]=4 238 B4R0.1 O=C(O)CBr SBB053569 [2,0,0,0,0,0|2,0,0]=4 239 B4R0.2 BrCCCBr SBB060203 [2,0,0,0,0,0|2,0,0]=4 240 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|1,0,0]=3 241 B4R0.2 CNCCI SBB071605 [2,0,0,0,0,0|2,0,0]=4 242 B4R0.2 COCCBr SBB007906 [2,0,0,0,0,0|2,0,0]=4 243 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|0,0,1]=3 244 B4R0.2 ClCCCBr SBB058669 [2,0,0,0,0,0|2,0,0]=4 245 B4R0.2 ClCCCCl SBB040918 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.2 OCCCBr SBB054750 [2,0,0,0,0,0|2,0,0]=4 247 B4R0.2 [NH2+](CC)CC SBB059849 [2,0,0,0,0,0|1,0,0]=3 248 B6R0.2 C=C(C)OC(C)=O SBB056824 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.2 CC(=O)C=C(C)C SBB040870 [1,1,0,0,0,0|0,0,2]=4 250 B6R0.2 CC(=O)CC(C)=O SBB009914 [1,1,0,0,0,0|0,0,1]=3 251 B6R0.2 CC(=O)CC(C)C SBB060384 [1,1,0,0,0,0|0,0,0]=2 252 B6R0.2 CC(=O)CC(N)=O SBB061675 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [1,1,0,0,0,0|0,0,2]=4 254 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [1,1,0,0,0,0|0,0,2]=4 255 B6R0.2 CC(C)CC(=O)Cl SBB040623 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.2 CC(C)CC(C)Br SBB007950 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.2 CC(C)CC(C)O SBB061337 [1,1,0,0,0,0|0,0,2]=4 258 B6R0.2 CC(C)CC(N)=O SBB028167 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.2 CC(O)CC(=O)O SBB065815 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.2 CC(O)CN(C)C SBB060002 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.2 CN(C)CC(=O)O SBB065779 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.3 CC(CN)C(=O)O SBB061656 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.3 CCC(=O)C(C)=O SBB061626 [1,1,0,0,0,0|0,0,1]=3 265 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,1,0,0,0,0|1,0,0]=3 266 B6R0.3 CCC(C)C(C)C SBB061452 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.3 CCC(N)C(N)=O SBB017505 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.3 NC(=O)C(N)CO SBB004161 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.3 NC(CO)C(=O)O SBB061655 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.3 NCC(N)C(=O)O SBB060844 [1,1,0,0,0,0|2,0,0]=4 274 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.3 O=C(O)C(Br)CBr SBB068302 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.3 O=C(O)C(O)CCl SBB072606 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.4 C#CCCC(=O)O SBB009121 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.4 C=CCCC(=O)O SBB061214 [1,1,0,0,0,0|1,0,1]=4 280 B6R0.4 C=CCCC(C)=O SBB009089 [1,1,0,0,0,0|0,0,1]=3 281 B6R0.4 CC(=O)NCCCl SBB008165 [1,1,0,0,0,0|1,0,0]=3 282 B6R0.4 CC(=O)NCCN SBB028176 [1,1,0,0,0,0|1,0,0]=3 283 B6R0.4 CC(=O)NCCO SBB007954 [1,1,0,0,0,0|1,0,0]=3 284 B6R0.4 CC(=O)OCCCl SBB058505 [1,1,0,0,0,0|1,0,0]=3 285 B6R0.4 CCC#CC(C)=O SBB009086 [1,1,0,0,0,0|0,0,1]=3 286 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.4 CCCCC(C)=O SBB061262 [1,1,0,0,0,0|0,0,0]=2 288 B6R0.4 CCCCC(C)O SBB061290 [1,1,0,0,0,0|0,0,2]=4 289 B6R0.4 CCCCC(N)=O SBB028169 [1,1,0,0,0,0|1,0,0]=3 290 B6R0.4 CCCCN(C)C SBB060243 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.4 CCCNC(N)=O SBB028174 [1,1,0,0,0,0|1,0,0]=3 292 B6R0.4 CCCOC(C)=O SBB060305 [1,1,0,0,0,0|0,0,0]=2 293 B6R0.4 CCCOC(N)=O SBB000036 [1,1,0,0,0,0|1,0,0]=3 294 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|1,0,0]=3 295 B6R0.4 CCOCC(C)O SBB061006 [1,1,0,0,0,0|0,0,2]=4 296 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|1,0,0]=3 297 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.4 CN(C)CCCN SBB028177 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.4 CNCCC(N)=O SBB080375 [1,1,0,0,0,0|1,0,0]=3 300 B6R0.4 NCCCC(=O)O SBB028179 [1,1,0,0,0,0|1,0,0]=3 301 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,1,0,0,0,0|1,0,0]=3 302 B6R0.4 O=C(O)CCCBr SBB065986 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.5 CCCC(C)(C)N SBB052122 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.5 CCCS(=O)(=O)Cl SBB048026 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.5 CCOS(C)(=O)=O SBB058685 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.5 CS(=O)(=O)CCN SBB047603 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.6 BrCCOCCBr SBB054744 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.6 C#CCCCCC SBB067441 [1,1,0,0,0,0|0,0,2]=4 309 B6R0.6 C=CCCCCC SBB059882 [1,1,0,0,0,0|0,0,2]=4 310 B6R0.6 CCCCCC#N SBB060051 [1,1,0,0,0,0|0,0,2]=4 311 B6R0.6 CCCCCCBr SBB059934 [1,1,0,0,0,0|0,0,1]=3 312 B6R0.6 CCCCCCCl SBB059952 [1,1,0,0,0,0|0,0,1]=3 313 B6R0.6 CCCCCCN SBB059984 [1,1,0,0,0,0|0,0,1]=3 314 B6R0.6 CCCCCCO SBB059899 [1,1,0,0,0,0|0,0,1]=3 315 B6R0.6 CCCCCOC SBB061300 [1,1,0,0,0,0|0,0,1]=3 316 B6R0.6 CCCCSCC SBB061178 [1,1,0,0,0,0|0,0,1]=3 317 B6R0.6 CCCNCCC SBB059762 [1,1,0,0,0,0|0,0,1]=3 318 B6R0.6 CCCOCCO SBB061379 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.6 CCCSCCC SBB061017 [1,1,0,0,0,0|0,0,1]=3 320 B6R0.6 CCCSCCO SBB058605 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.6 CCC\C=C\C=O SBB067097 [1,1,0,0,0,0|0,0,2]=4 322 B6R0.6 CCNCCC#N SBB006528 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.6 CCOCCC#N SBB067181 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.6 CCOCCCN SBB028180 [1,1,0,0,0,0|1,0,0]=3 325 B6R0.6 CC\C=C/CCO SBB007739 [1,1,0,0,0,0|0,0,1]=3 326 B6R0.6 ClCCOCCCl SBB059969 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.6 NCCCCCN SBB079706 [1,1,0,0,0,0|1,0,1]=4 328 B6R0.6 NCCNCCN SBB059776 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.6 NCCNCCO SBB028183 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.6 NCCOCCO SBB060906 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.6 NCCSCCO SBB056468 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.6 OCCNCCO SBB059779 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.6 OCCOCCCl SBB060189 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.6 OCCSCCO SBB060117 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.6 SCCOCCS SBB058846 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.8 CCC(C)(O)CC SBB060948 [1,1,0,0,0,0|0,0,2]=4 337 B6R0.9 CC=C(CC)CC SBB059883 [1,1,0,0,0,0|1,0,0]=3 338 B6R0.9 CCC(C=O)CC SBB059875 [1,1,0,0,0,0|0,0,1]=3 339 B6R0.9 CCC(CC)CBr SBB059935 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.9 CCC(CC)CN SBB028171 [1,1,0,0,0,0|1,0,1]=4 341 B6R0.9 CCC(CC)CO SBB059900 [1,1,0,0,0,0|0,0,2]=4 342 B6R0.9 CCN(C#N)CC SBB060416 [1,1,0,0,0,0|2,0,0]=4 343 B6R0.9 CCN(C=O)CC SBB056822 [1,1,0,0,0,0|1,0,0]=3 344 B6R0.9 CCN(CC)CC SBB040898 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.9 CCN(CC)CC SBB087540 [1,1,0,0,0,0|2,0,0]=4 346 B8R0.2 CNC(=O)C(Cl)C(C)=O SBB042489 [0,2,0,0,0,0|1,0,1]=4 347 B8R0.2 COC(=O)C(N)C(C)C SBB003876 [0,2,0,0,0,0|1,0,0]=3 348 B8R0.2 COC(=O)[C@@H](N)C(C)C SBB302661 [0,2,0,0,0,0|1,0,0]=3 349 B8R0.5 CC(C)NC(=O)CC#N SBB047976 [0,2,0,0,0,0|1,0,1]=4 350 B8R0.5 CC(C)OC(=O)CC#N SBB056441 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,2,0,0,0,0|0,0,0]=2 352 B8R0.5 CCOC(=O)CC(=N)N SBB010259 [0,2,0,0,0,0|1,0,1]=4 353 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [0,2,0,0,0,0|1,0,1]=4 354 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,2,0,0,0,0|1,0,1]=4 355 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,2,0,0,0,0|0,0,1]=3 356 B8R0.5 CCOC(=O)CC(C)C SBB061114 [0,2,0,0,0,0|0,0,0]=2 357 B8R0.5 CCOC(=O)CC(C)N SBB108871 [0,2,0,0,0,0|0,0,0]=2 358 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [0,2,0,0,0,0|0,0,2]=4 359 B8R0.16 CCN(CC)CC(C)N SBB020279 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.16 CCN(CC)CC(C)O SBB060003 [0,2,0,0,0,0|2,0,0]=4 361 B8R0.19 CCC(=O)OC(=O)CC SBB060267 [0,2,0,0,0,0|0,0,1]=3 362 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,2,0,0,0,0|0,0,0]=2 363 B8R0.19 CCC(C)NC(C)CC SBB059801 [0,2,0,0,0,0|1,0,1]=4 364 B8R0.19 CCN(C)CC(C)CN SBB046527 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.19 COC(=O)CC(=O)CCl SBB061676 [0,2,0,0,0,0|1,0,1]=4 366 B8R0.23 CC(=O)CC(=O)C(F)F SBB028629 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.23 CC(=O)CC(=O)N(C)C SBB007704 [0,2,0,0,0,0|1,0,1]=4 368 B8R0.23 CC(C)CC(O)C(C)C SBB116858 [0,2,0,0,0,0|0,0,2]=4 369 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [0,2,0,0,0,0|1,0,0]=3 370 B8R0.24 CC(C)(C)CC(=O)NN SBB021013 [0,2,0,0,0,0|2,0,0]=4 371 B8R0.24 CC(C)(C)NC(=O)CCl SBB016593 [0,2,0,0,0,0|2,0,0]=4 372 B8R0.24 CC(C)(C)NC(=O)CN SBB302535 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.24 CC(C)(C)OC(=O)CBr SBB070756 [0,2,0,0,0,0|2,0,0]=4 374 B8R0.24 CC(C)(C)OC(=O)CN SBB003877 [0,2,0,0,0,0|2,0,0]=4 375 B8R0.24 CC(C)(C)OC(=O)CN SBB069858 [0,2,0,0,0,0|2,0,0]=4 376 B8R0.24 CCC(=O)NC(C)(C)C SBB060291 [0,2,0,0,0,0|1,0,0]=3 377 B8R0.24 CNC(=O)OC(C)(C)C SBB085461 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.24 COC(=O)CS(C)(=O)=O SBB054133 [0,2,0,0,0,0|2,0,0]=4 379 B8R0.1 C=CCOC(=O)CCC SBB061324 [0,2,0,0,0,0|0,0,1]=3 380 B8R0.1 CCC#CC(=O)OCC SBB008819 [0,2,0,0,0,0|0,0,1]=3 381 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,2,0,0,0,0|0,0,0]=2 382 B8R0.1 CCCCC(=O)OCC SBB061113 [0,2,0,0,0,0|0,0,0]=2 383 B8R0.1 CCCCC(O)CCC SBB059905 [0,2,0,0,0,0|0,0,2]=4 384 B8R0.1 CCCCS(=O)CCO SBB019077 [0,2,0,0,0,0|1,0,0]=3 385 B8R0.1 CCCNC(=O)CC#N SBB049417 [0,2,0,0,0,0|0,0,1]=3 386 B8R0.1 CCCOC(=O)CCC SBB061105 [0,2,0,0,0,0|0,0,0]=2 387 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,2,0,0,0,0|0,0,0]=2 388 B8R0.1 CCOC(=O)CCCN SBB003878 [0,2,0,0,0,0|0,0,0]=2 389 B8R0.1 CCOC(=O)CNC=O SBB067158 [0,2,0,0,0,0|1,0,1]=4 390 B8R0.1 CCOC(=O)NCCO SBB079074 [0,2,0,0,0,0|1,0,0]=3 391 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [0,2,0,0,0,0|0,0,2]=4 392 B8R0.1 N#CCC(=O)NCCO SBB049444 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.1 O=C(CCS)OCCO SBB008479 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.3 CCN(C)C(C)CCN SBB046528 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,2,0,0,0,0|0,0,1]=3 397 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [0,2,0,0,0,0|0,0,0]=2 398 B8R0.3 CCOC(=O)C(Cl)C=O SBB054117 [0,2,0,0,0,0|1,0,1]=4 399 B8R0.3 CCOC(=O)C(N)CC SBB072718 [0,2,0,0,0,0|0,0,0]=2 400 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [0,2,0,0,0,0|1,0,0]=3 401 B8R0.3 CCOC(C)C(=O)NN SBB080048 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.3 COC(=O)C(C)CCCl SBB054131 [0,2,0,0,0,0|1,0,0]=3 403 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.6 C=CCSCC(=O)OC SBB008000 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.6 CCCC#CC(=O)OC SBB069575 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.6 CCCCCC(=O)CC SBB060388 [0,2,0,0,0,0|0,0,0]=2 407 B8R0.6 CCCCCC(=O)NN SBB021010 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.6 CCCCCC(=O)NO SBB008093 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.6 CCCCCC(=O)OC SBB060591 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.6 CCCCCC(O)CC SBB059904 [0,2,0,0,0,0|0,0,2]=4 411 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,2,0,0,0,0|1,0,0]=3 412 B8R0.6 CCCCOC(=O)CC SBB060578 [0,2,0,0,0,0|0,0,0]=2 413 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,2,0,0,0,0|1,0,0]=3 414 B8R0.6 CCCCOC(=O)CF SBB085867 [0,2,0,0,0,0|1,0,0]=3 415 B8R0.6 CCCCOC(=O)CS SBB061004 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.6 CCNCCC(=O)NN SBB046550 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.6 CCOCCC(=O)NN SBB079954 [0,2,0,0,0,0|2,0,0]=4 418 B8R0.6 COC(=O)CCCCBr SBB070759 [0,2,0,0,0,0|1,0,0]=3 419 B8R0.6 COCCNC(=O)CCl SBB038704 [0,2,0,0,0,0|1,0,0]=3 420 B8R0.8 C=C(C)C(=O)OCCF SBB085807 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,2,0,0,0,0|0,0,1]=3 423 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,2,0,0,0,0|1,0,0]=3 424 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [0,2,0,0,0,0|0,0,0]=2 425 B8R0.9 CC(C)COC(=O)CCl SBB060938 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.9 CC(C)COC(=O)CS SBB061005 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.9 CC(C)OCC(=O)NN SBB080051 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,2,0,0,0,0|0,0,1]=3 429 B8R0.9 CCC(=O)OCC(C)C SBB060974 [0,2,0,0,0,0|0,0,0]=2 430 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,2,0,0,0,0|1,0,1]=4 431 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,2,0,0,0,0|1,0,1]=4 432 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [0,2,0,0,0,0|1,0,1]=4 433 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,2,0,0,0,0|1,0,1]=4 434 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,2,0,0,0,0|1,0,1]=4 435 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [0,2,0,0,0,0|0,0,0]=2 436 B8R0.11 CCCCC(C=O)CC SBB060148 [0,2,0,0,0,0|0,0,1]=3 437 B8R0.11 CCCCC(CC)CBr SBB059938 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.11 CCCCC(CC)CCl SBB005809 [0,2,0,0,0,0|1,0,1]=4 439 B8R0.11 CCCCC(CC)CI SBB061182 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.11 CCCCC(CC)CO SBB059906 [0,2,0,0,0,0|0,0,2]=4 441 B8R0.11 CCN(CC)CCCN SBB058841 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.11 NCC(CC)CCCC SBB006745 [0,2,0,0,0,0|1,0,1]=4 443 B8R0.25 CCCCC(C)(O)CC SBB061166 [0,2,0,0,0,0|0,0,2]=4 444 B8R0.12 CC(C)S(=O)(=O)CCN SBB076790 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.14 CC(C)(C)C(=O)CC#N SBB008437 [0,2,0,0,0,0|1,0,1]=4 446 B8R0.14 CCOC(=O)C(F)(Br)Br SBB102730 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.14 CCOC(=O)C(F)(F)Br SBB093033 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.14 CCOC(=O)C(F)(F)Cl SBB087321 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.14 CCOC(=O)C(F)(F)F SBB008466 [0,2,0,0,0,0|2,0,0]=4 450 B8R0.14 CCOC(=O)C(F)(F)I SBB100668 [0,2,0,0,0,0|2,0,0]=4 451 B8R0.14 CCSC(=O)C(F)(F)F SBB087272 [0,2,0,0,0,0|2,0,0]=4 452 B8R0.14 CNCC(=O)C(C)(C)C SBB002868 [0,2,0,0,0,0|1,0,0]=3 453 B8R0.15 CCOC(CC)C(N)=O SBB116764 [0,2,0,0,0,0|1,0,1]=4 454 B8R0.22 C(=O)N(CCC)CCC SBB008026 [0,2,0,0,0,0|1,0,0]=3 455 B8R0.22 CCCC(C=O)CCC SBB052355 [0,2,0,0,0,0|0,0,1]=3 456 B8R0.30 CCOS(=O)(=O)OCC SBB060663 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.13 COC(=O)C(C)(Br)CBr SBB080573 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.20 CCC(OC)C(=O)NN SBB080166 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.20 CCN(CC)C(=O)CCl SBB038655 [0,2,0,0,0,0|2,0,0]=4 460 B6R1.2 BrC1CCCC1 SBB040823 [1,0,0,1,0,0|1,0,1]=4 461 B6R1.2 CC1=NCCN1 SBB040067 [1,0,0,1,0,0|2,0,0]=4 462 B6R1.2 NC1CCCC1 SBB040467 [1,0,0,1,0,0|1,0,1]=4 463 B6R1.2 NN1CCCC1 SBB066760 [1,0,0,1,0,0|2,0,0]=4 464 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,1,0,0|0,0,0]=2 465 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,1,0,0|1,0,0]=3 466 B6R1.2 O=C1CCNN1 SBB007977 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,1,0,0|1,0,0]=3 468 B6R1.10 CC1(N)CCC1 SBB072407 [1,0,0,1,0,0|1,0,1]=4 469 B6R1.11 CC(=O)C1CC1 SBB040825 [1,0,0,1,0,0|0,0,0]=2 470 B6R1.11 CC(N)C1CC1 SBB027096 [1,0,0,1,0,0|1,0,1]=4 471 B6R1.11 N=C(N)C1CC1 SBB028203 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.11 NC(=O)C1CC1 SBB008326 [1,0,0,1,0,0|1,0,0]=3 473 B6R1.11 NC(=S)C1CC1 SBB024106 [1,0,0,1,0,0|1,1,0]=4 474 B6R1.11 O=C(Cl)C1CC1 SBB061720 [1,0,0,1,0,0|1,0,0]=3 475 B6R1.11 O=C(O)C1CC1 SBB008028 [1,0,0,1,0,0|1,0,0]=3 476 B6R1.1 C1=COCCC1 SBB060381 [1,0,0,1,0,0|1,0,1]=4 477 B6R1.1 C1CSCCN1 SBB056209 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.1 C1CSCCO1 SBB060674 [1,0,0,1,0,0|2,0,0]=4 479 B6R1.1 C1CSCSC1 SBB061220 [1,0,0,1,0,0|2,0,0]=4 480 B6R1.6 BrCC1CCC1 SBB054975 [1,0,0,1,0,0|1,0,1]=4 481 B6R1.6 NCC1CCC1 SBB108847 [1,0,0,1,0,0|1,0,1]=4 482 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.1 CN1CCC(CCl)C1 SBB012983 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.1 CNC1CCN(C)C1 SBB052021 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,1,0,1,0,0|0,0,1]=3 489 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,1,0,1,0,0|0,0,2]=4 492 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,1,0,1,0,0|1,0,1]=4 493 B8R1.4 CC1CNCC(C)C1 SBB027312 [0,1,0,1,0,0|1,0,1]=4 494 B8R1.4 CN1CCCC(N)C1 SBB047756 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,1,0,1,0,0|0,0,2]=4 496 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,1,0,1,0,0|0,0,1]=3 497 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [0,1,0,1,0,0|0,0,2]=4 499 B8R1.18 CC1=NN(C)C(=O)C1 SBB055838 [0,1,0,1,0,0|1,0,1]=4 500 B8R1.40 O=C(CCl)NC1CC1 SBB016595 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.51 NC1CCS(=O)(=O)C1 SBB005601 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.51 NC1CCS(=O)(=O)C1 SBB073006 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.51 O=S1(=O)CCC(Br)C1 SBB019024 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.51 O=S1(=O)CCC(Cl)C1 SBB041213 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.51 O=S1(=O)CCC(O)C1 SBB001886 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.2 C#CC1=CCCCC1 SBB002648 [0,1,0,1,0,0|1,0,1]=4 507 B8R1.2 C(=O)N1CCCCC1 SBB004316 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.2 C(=O)N1CCNCC1 SBB027307 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.2 C(=O)N1CCOCC1 SBB007670 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.2 CCC1CCCCC1 SBB061162 [0,1,0,1,0,0|1,0,1]=4 511 B8R1.2 CCC1CCNCC1 SBB046379 [0,1,0,1,0,0|1,0,1]=4 512 B8R1.2 CCN1CCCCC1 SBB061409 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.2 CCN1CCOCC1 SBB060634 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.2 CSC1=NCCCS1 SBB056240 [0,1,0,1,0,0|1,1,0]=4 515 B8R1.2 N#CC1=CCCCC1 SBB007873 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.2 N#CC1CCCCC1 SBB008404 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.2 N(C)C1CCCCC1 SBB004314 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.2 N1CCCCC1CC SBB004312 [0,1,0,1,0,0|1,0,1]=4 519 B8R1.2 N1CCN(CC)CC1 SBB006719 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.2 NCC1CCCCC1 SBB028193 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.2 O=CC1=CCCOC1 SBB018863 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.2 O=CC1CCNCC1 SBB052337 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.2 O=CC1CCOCC1 SBB052321 [0,1,0,1,0,0|1,0,1]=4 524 B8R1.2 OCC1CCCCC1 SBB061328 [0,1,0,1,0,0|0,0,2]=4 525 B8R1.2 ON=C1CCCCC1 SBB058381 [0,1,0,1,0,0|0,0,1]=3 526 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.3 CC1CCC(C)CC1 SBB061451 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,1,0,1,0,0|0,0,2]=4 529 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,1,0,1,0,0|0,0,0]=2 530 B8R1.3 CN1CCC(Cl)CC1 SBB057204 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.3 CN1CCC(N)CC1 SBB004306 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.3 NN1CCN(C)CC1 SBB004299 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.3 N[C@H]1CC[C@H](N)CC1 SBB008553 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.3 N[C@H]1CC[C@H](O)CC1 SBB005825 [0,1,0,1,0,0|0,0,2]=4 536 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,1,0,1,0,0|0,0,1]=3 537 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,1,0,1,0,0|0,0,0]=2 538 B8R1.3 OC1CCC(Cl)CC1 SBB007863 [0,1,0,1,0,0|0,0,2]=4 539 B8R1.3 OC1CCN(C)CC1 SBB004301 [0,1,0,1,0,0|0,0,2]=4 540 B8R1.5 BrC1CCCC[C@@H]1Br SBB060495 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.5 CC1=NCCCN1C SBB001664 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.5 CC1CCCCC1=O SBB058517 [0,1,0,1,0,0|0,0,0]=2 544 B8R1.5 CC1CCCCC1N SBB061724 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.5 CC1CCCCN1C SBB060747 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.5 CC1CCCNC1C SBB027556 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.5 CC1CNCCC1O SBB300760 [0,1,0,1,0,0|0,0,2]=4 548 B8R1.5 CC1NCCNC1=O SBB080100 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.5 CC1SCCNC1=O SBB111924 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.5 Cl[C@H]1CCCC[C@H]1Cl SBB007831 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.5 FC1CCCCC1Br SBB089745 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.5 NC1CCCNC1=O SBB012739 [0,1,0,1,0,0|1,0,0]=3 553 B8R1.5 N[C@@H]1CCCC[C@H]1N SBB007639 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,1,0,1,0,0|0,0,0]=2 555 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [0,1,0,1,0,0|0,0,2]=4 556 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [0,1,0,1,0,0|0,0,2]=4 557 B8R1.22 CN1CCCNCC1 SBB056191 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.22 NC1CCCCCC1 SBB004311 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.22 O=C1CCCCCC1 SBB060075 [0,1,0,1,0,0|0,0,0]=2 560 B8R1.22 O=C1CCCCCN1 SBB058658 [0,1,0,1,0,0|0,0,0]=2 561 B8R1.22 O=C1CCNCCN1 SBB056241 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.22 O=S1OCCCCO1 SBB060665 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.22 OC1CCCCCC1 SBB061138 [0,1,0,1,0,0|0,0,2]=4 564 B8R1.22 S=C1NCCCCN1 SBB085765 [0,1,0,1,0,0|1,1,0]=4 565 B8R1.38 COC(=O)C1CCC1 SBB071501 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.38 NNC(=O)C1CCC1 SBB046617 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [0,1,0,1,0,0|0,0,2]=4 568 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,1,0,1,0,0|0,0,1]=3 569 B8R1.50 CN1CCN(C)C1=O SBB008346 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.7 CC(N)C1CCCO1 SBB020137 [0,1,0,1,0,0|0,0,2]=4 571 B8R1.19 CC1(Br)CCOC1=O SBB057373 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.8 CCCC1OCCO1 SBB060981 [0,1,0,1,0,0|0,0,2]=4 573 B8R1.8 CCCC1OCCS1 SBB056724 [0,1,0,1,0,0|0,0,2]=4 574 B8R1.8 COC[C@@H]1CCCN1 SBB006442 [0,1,0,1,0,0|1,0,1]=4 575 B8R1.8 ClCCN1CCCC1 SBB070714 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.8 NCCC1CCCC1 SBB072011 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.8 NCCN1CCCC1 SBB004304 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.8 OCCC1CCCC1 SBB008459 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.8 OCCN1CCCC1 SBB060257 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.11 CN1CCCC1CO SBB108833 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.39 COC(=O)C1(N)CC1 SBB069778 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.28 CCC(C)(O)C1CC1 SBB111789 [0,1,0,1,0,0|0,0,2]=4 583 B8R1.72 CC1(O)CCCCC1 SBB061165 [0,1,0,1,0,0|0,0,2]=4 584 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.72 O=S1(=O)CCNCC1 SBB010267 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.72 O=S1(=O)CCNCC1 SBB056140 [0,1,0,1,0,0|2,0,0]=4 587 B8R2.34 C1CC2CC1CN2 SBB013021 [0,0,0,2,0,0|1,0,1]=4 588 B8R2.25 C1CCC2OC2C1 SBB061377 [0,0,0,2,0,0|0,0,2]=4