0 B6R0.1 C#CC(=O)OCC SBB060344 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C#CC(O)CCC SBB067434 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 C=CC(=O)OCC SBB060348 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCC(O)COC SBB072708 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CCCC(=O)CC SBB061496 [0,0,0,0,0,0|1,0,0]=1 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|0,1,0]=1 7 B6R0.1 CCCC(C)CO SBB061282 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CCCC(O)CC SBB061363 [0,0,0,0,0,0|1,0,2]=3 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|3,0,0]=3 11 B6R0.1 CCNC(=O)CCl SBB008200 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 CCNC(=S)NN SBB072595 [0,0,0,0,0,0|3,1,0]=4 13 B6R0.1 CCOC(=O)CBr SBB060995 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.1 CCOC(=O)CC SBB060312 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCOC(=O)NN SBB028182 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.1 CNC(C)CCO SBB046542 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 CNCC(C)OC SBB049894 [0,0,0,0,0,0|2,1,1]=4 18 B6R0.1 COC(=O)CC#N SBB059483 [0,0,0,0,0,0|1,1,1]=3 19 B6R0.1 COC(=O)CCBr SBB070709 [0,0,0,0,0,0|1,1,0]=2 20 B6R0.1 COC(=O)CCN SBB071679 [0,0,0,0,0,0|1,1,0]=2 21 B6R0.1 COCC(=O)NN SBB021113 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.1 C\C=C\C(=O)OC SBB061218 [0,0,0,0,0,0|0,1,2]=3 23 B6R0.1 N#CCC(=O)NN SBB028164 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 OCNC(=O)CCl SBB004273 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 C#CCC(=O)O SBB116169 [1,0,0,0,0,0|0,1,2]=4 27 B5R0.1 CC(=O)CC#N SBB014113 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 CC(=O)N=S=O SBB059583 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CC(C)=CCBr SBB061690 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CC(C)CCBr SBB061181 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(C)CCO SBB060162 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 CCOC(=O)Cl SBB040861 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CN(C)CCBr SBB073020 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 CN(C)CCN SBB007533 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 COCC(=O)O SBB061376 [1,0,0,0,0,0|1,1,0]=3 37 B5R0.1 CS(=O)CCN SBB050811 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 CSCC(=O)O SBB053570 [1,0,0,0,0,0|1,1,0]=3 39 B5R0.1 C\C(Cl)=C\CN SBB301293 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 N#CCC(N)=O SBB007540 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 O=C(O)CCBr SBB065770 [1,0,0,0,0,0|1,1,0]=3 42 B5R0.1 O=C(O)CCCl SBB069140 [1,0,0,0,0,0|1,1,0]=3 43 B5R0.1 [NH+](C)(C)CCCl SBB057087 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.2 CC#CCCO SBB009118 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CCCCCBr SBB059933 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 CCCCCCl SBB059951 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 CCCN=C=S SBB060984 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.2 CCNNCC SBB069584 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.2 CCOCCBr SBB008332 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.2 CCOCCCl SBB061015 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 CCOCCN SBB072161 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.2 CCSCCN SBB017894 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.2 CNCCCN SBB059823 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 CSCCCO SBB056451 [1,0,0,0,0,0|1,0,1]=3 55 B5R0.3 C#CC(=O)OC SBB049642 [1,0,0,0,0,0|0,1,2]=4 56 B5R0.3 CCC(=O)NN SBB021112 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.3 CCC(N)CC SBB000050 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 CCC(N)CC SBB071911 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.3 CC\C(N)=N\O SBB024198 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.3 CNC(=O)CBr SBB080576 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.3 CNC(=O)CCl SBB049936 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.3 CNC(=S)NC SBB060411 [1,0,0,0,0,0|2,1,0]=4 63 B5R0.3 COC(=O)CBr SBB056823 [1,0,0,0,0,0|1,1,0]=3 64 B5R0.3 COC(=O)CCl SBB040686 [1,0,0,0,0,0|1,1,0]=3 65 B5R0.3 COC(=O)NN SBB061728 [1,0,0,0,0,0|2,1,0]=4 66 B5R0.3 CS\C(N)=N/N SBB098045 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.3 NNC(=O)CO SBB111858 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.3 P(=O)(OC)OC SBB060964 [1,0,0,0,0,0|2,1,0]=4 69 B5R0.3 [NH2+]=C(NN)SC SBB072632 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.2 CC(C)CC(=O)NN SBB021012 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.2 CC(C)NC(=O)CBr SBB051007 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.2 CC(C)NC(=O)CCl SBB016573 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.2 CC(C)NC(=O)CN SBB085357 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,1,0,0,0,0|0,1,1]=3 80 B7R0.2 COC(=O)C[N+](=O)[O-] SBB001681 [0,1,0,0,0,0|2,1,0]=4 81 B7R0.2 COC(=O)\C=C(\C)N SBB061677 [0,1,0,0,0,0|0,1,2]=4 82 B7R0.3 C=C(CC)CCCC SBB060475 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.3 CCC(=O)OCCCl SBB060315 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.3 CCCCC(=O)NN SBB028196 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.3 CCCNC(=O)CCl SBB016586 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.3 CCCOC(=O)CCl SBB060962 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.3 CCCOC(=O)CS SBB061003 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.3 CCN(C)CCCO SBB046555 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.3 CCNCC(O)CC SBB072921 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.3 CCOCC(=O)NN SBB080108 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.3 CNCCC(=O)NC SBB046578 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.3 CNCCC(=O)NC SBB080433 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.3 COC(=N)CCCCl SBB056505 [0,1,0,0,0,0|1,1,0]=3 94 B7R0.3 COC(=O)\C=C\CBr SBB070730 [0,1,0,0,0,0|0,1,2]=4 95 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.3 NNC(=O)CCCO SBB028199 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.5 CCCC(C)C(C)O SBB061491 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.5 CCOC(=O)C(F)Br SBB070746 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.5 CCOC(=O)C(F)I SBB097841 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.5 CCOC(=O)C(N)=S SBB056420 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.5 CN(C)C(=O)CC#N SBB066046 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.5 CN(C)C(=O)CCN SBB085472 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.7 C=C=CC(=O)OCC SBB054147 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.7 CC#CC(=O)OCC SBB069554 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.7 CCCC(=O)CCC SBB060386 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.7 CCCC(N)CCC SBB018801 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.7 CCCC(O)CCC SBB061327 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.7 CCCN(C)CCC SBB061592 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.7 CCNC(=O)CC#N SBB000040 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.7 CCNC(=O)NCC SBB058550 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.7 CCOC(=O)CC#N SBB040821 [0,1,0,0,0,0|1,1,1]=4 118 B7R0.7 CCOC(=O)CCBr SBB070739 [0,1,0,0,0,0|1,1,0]=3 119 B7R0.7 CCOC(=O)CCN SBB004038 [0,1,0,0,0,0|1,1,0]=3 120 B7R0.7 CCOC(=O)CNN SBB021976 [0,1,0,0,0,0|2,1,0]=4 121 B7R0.7 CCOC(=O)CNN SBB054137 [0,1,0,0,0,0|2,1,0]=4 122 B7R0.7 CCOC(=O)N=C=S SBB066610 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.7 CCOC(=O)OCC SBB060086 [0,1,0,0,0,0|1,1,0]=3 124 B7R0.7 CCOS(=O)OCC SBB060108 [0,1,0,0,0,0|2,1,0]=4 125 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,1,0,0,0,0|1,1,0]=3 127 B7R0.7 O=C(NCO)NCO SBB071713 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.7 P(=O)(OCC)OCC SBB056825 [0,1,0,0,0,0|2,1,0]=4 129 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,1,0,0,0,0|0,1,0]=2 130 B7R0.10 CNC(=O)C(=O)NC SBB007883 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,1,0,0,0,0|1,1,1]=4 132 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [0,1,0,0,0,0|1,1,1]=4 133 B7R0.10 COC(=O)C(N)CO SBB004026 [0,1,0,0,0,0|1,1,0]=3 134 B7R0.10 COC(=O)C(N)CS SBB054105 [0,1,0,0,0,0|1,1,0]=3 135 B7R0.10 COC(C)C(=O)NN SBB080152 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.11 CCS(=O)(=O)CCCl SBB019269 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.11 CCS(=O)(=O)CCO SBB008148 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.11 CNS(=O)(=O)CCN SBB014589 [0,1,0,0,0,0|3,0,0]=4 139 B7R1.1 CSC1=NCCN1 SBB055871 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.1 N#CC1=CCCC1 SBB007727 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.1 N1CCN=C1SC SBB037853 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.1 ON=C1CCCC1 SBB060393 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.2 CC1CNC(=S)N1 SBB055856 [0,0,0,1,0,0|2,1,0]=4 144 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,0,0,1,0,0|1,1,1]=4 146 B7R1.2 O=C1CSC(=O)N1 SBB000047 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,0,0,1,0,0|1,1,0]=3 148 B7R1.3 BrC1CCCCC1 SBB059944 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.3 CC1CCCCC1 SBB061163 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.3 CC1SCCCS1 SBB056211 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.3 CN1CCCCC1 SBB060237 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.3 N1CCCCC1C SBB027300 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.3 NC1CCCCC1 SBB040492 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.3 NN1CCCCC1 SBB067336 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,0,1,0,0|1,0,1]=3 156 B7R1.3 O=C1CCCCC1 SBB060074 [0,0,0,1,0,0|1,0,0]=2 157 B7R1.3 O=C1CCCCO1 SBB060349 [0,0,0,1,0,0|0,1,0]=2 158 B7R1.3 O=C1CCOCC1 SBB049627 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.3 O=C1CCSCC1 SBB048121 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.3 O=C1CNCCN1 SBB000034 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.3 OC1CCCCC1 SBB060483 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.3 OC1CCCCO1 SBB055947 [0,0,0,1,0,0|0,1,2]=4 163 B7R1.3 S=C1NCCCN1 SBB017542 [0,0,0,1,0,0|2,1,0]=4 164 B7R1.3 S=C1NCCCS1 SBB085843 [0,0,0,1,0,0|1,1,0]=3 165 B7R1.3 SC1=NCCCN1 SBB039536 [0,0,0,1,0,0|2,1,0]=4 166 B7R1.4 CN1CCCC1=O SBB060297 [0,0,0,1,0,0|1,0,0]=2 167 B7R1.4 NC1CCOC1=O SBB004366 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.4 NC1CCOC1=O SBB057192 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.4 NC1CCSC1=O SBB004035 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.4 O=C1OCCC1Br SBB083094 [0,0,0,1,0,0|3,0,0]=4 171 B7R1.22 COC(=O)C1CN1 SBB054042 [0,0,0,1,0,0|1,1,0]=3 172 B7R1.22 NNC(=O)C1CC1 SBB021014 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.22 N\C(=N/O)C1CC1 SBB024038 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,0,0,1,0,0|2,0,0]=3 175 B4R0.1 CCC(C)Br SBB059931 [2,0,0,0,0,0|1,0,1]=4 176 B4R0.1 CCN(C)N SBB107453 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.1 CSC(=N)N SBB080624 [2,0,0,0,0,0|2,0,0]=4 178 B4R0.1 CSC(=N)N SBB095512 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 NCC(=O)O SBB071447 [2,0,0,0,0,0|1,1,0]=4 180 B4R0.1 NCC(=O)[O-] SBB116671 [2,0,0,0,0,0|1,1,0]=4 181 B4R0.1 O=C(Br)CBr SBB040828 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.1 O=C(Cl)CBr SBB051682 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.1 O=C(Cl)CCl SBB040859 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.1 O=C(O)CBr SBB053569 [2,0,0,0,0,0|1,1,0]=4 185 B4R0.1 [NH2+]=C(N)SC SBB060409 [2,0,0,0,0,0|2,0,0]=4 186 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|1,0,1]=4 187 B4R0.2 CNCCI SBB071605 [2,0,0,0,0,0|2,0,0]=4 188 B4R0.2 COCCBr SBB007906 [2,0,0,0,0,0|1,1,0]=4 189 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|0,0,1]=3 190 B4R0.2 [NH2+](CC)CC SBB059849 [2,0,0,0,0,0|1,0,1]=4 191 B6R0.2 C=C(C)OC(C)=O SBB056824 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.2 CC(=O)C=C(C)C SBB040870 [1,1,0,0,0,0|0,0,2]=4 193 B6R0.2 CC(=O)CC(C)=O SBB009914 [1,1,0,0,0,0|0,0,1]=3 194 B6R0.2 CC(=O)CC(C)C SBB060384 [1,1,0,0,0,0|0,0,0]=2 195 B6R0.2 CC(=O)CC(N)=O SBB061675 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [1,1,0,0,0,0|0,0,2]=4 197 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [1,1,0,0,0,0|0,0,2]=4 198 B6R0.2 CC(C)CC(=O)Cl SBB040623 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.2 CC(C)CC(C)Br SBB007950 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.2 CC(C)CC(C)O SBB061337 [1,1,0,0,0,0|0,0,2]=4 201 B6R0.2 CC(C)CC(N)=O SBB028167 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.2 CC(O)CC(=O)O SBB065815 [1,1,0,0,0,0|0,1,0]=3 203 B6R0.2 CC(O)CN(C)C SBB060002 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.2 CN(C)CC(=O)O SBB065779 [1,1,0,0,0,0|1,1,0]=4 205 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [1,1,0,0,0,0|1,1,0]=4 206 B6R0.3 CC(CN)C(=O)O SBB061656 [1,1,0,0,0,0|1,1,0]=4 207 B6R0.3 CCC(=O)C(C)=O SBB061626 [1,1,0,0,0,0|0,0,1]=3 208 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,1,0,0,0,0|0,1,0]=3 209 B6R0.3 CCC(C)C(C)C SBB061452 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.3 CCC(N)C(N)=O SBB017505 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,1,0,0,0,0|0,1,0]=3 212 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [1,1,0,0,0,0|1,1,0]=4 213 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [1,1,0,0,0,0|1,1,0]=4 214 B6R0.3 NC(=O)C(N)CO SBB004161 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.3 NC(CO)C(=O)O SBB061655 [1,1,0,0,0,0|1,1,0]=4 216 B6R0.3 NCC(N)C(=O)O SBB060844 [1,1,0,0,0,0|1,1,0]=4 217 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [1,1,0,0,0,0|1,1,0]=4 218 B6R0.3 O=C(O)C(Br)CBr SBB068302 [1,1,0,0,0,0|1,1,0]=4 219 B6R0.3 O=C(O)C(O)CCl SBB072606 [1,1,0,0,0,0|1,1,0]=4 220 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [1,1,0,0,0,0|1,1,0]=4 221 B6R0.4 C#CCCC(=O)O SBB009121 [1,1,0,0,0,0|0,1,1]=4 222 B6R0.4 C=CCCC(=O)O SBB061214 [1,1,0,0,0,0|0,1,1]=4 223 B6R0.4 C=CCCC(C)=O SBB009089 [1,1,0,0,0,0|0,0,1]=3 224 B6R0.4 CC(=O)NCCCl SBB008165 [1,1,0,0,0,0|1,0,0]=3 225 B6R0.4 CC(=O)NCCN SBB028176 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.4 CC(=O)NCCO SBB007954 [1,1,0,0,0,0|1,0,0]=3 227 B6R0.4 CC(=O)OCCCl SBB058505 [1,1,0,0,0,0|1,0,0]=3 228 B6R0.4 CCC#CC(C)=O SBB009086 [1,1,0,0,0,0|0,0,1]=3 229 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|0,1,0]=3 230 B6R0.4 CCCCC(C)=O SBB061262 [1,1,0,0,0,0|0,0,0]=2 231 B6R0.4 CCCCC(C)O SBB061290 [1,1,0,0,0,0|0,0,2]=4 232 B6R0.4 CCCCC(N)=O SBB028169 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.4 CCCCN(C)C SBB060243 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.4 CCCNC(N)=O SBB028174 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.4 CCCOC(C)=O SBB060305 [1,1,0,0,0,0|0,0,0]=2 236 B6R0.4 CCCOC(N)=O SBB000036 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|0,1,0]=3 238 B6R0.4 CCOCC(C)O SBB061006 [1,1,0,0,0,0|0,0,2]=4 239 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|0,1,0]=3 240 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,1,0,0,0,0|0,1,1]=4 241 B6R0.4 CN(C)CCCN SBB028177 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.4 CNCCC(N)=O SBB080375 [1,1,0,0,0,0|1,0,0]=3 243 B6R0.4 NCCCC(=O)O SBB028179 [1,1,0,0,0,0|0,1,0]=3 244 B6R0.4 NCCNC(=S)S SBB069239 [1,1,0,0,0,0|1,1,0]=4 245 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.4 O=C(O)CCCBr SBB065986 [1,1,0,0,0,0|0,1,0]=3 247 B6R0.5 CCCC(C)(C)N SBB052122 [1,1,0,0,0,0|1,0,1]=4 248 B6R0.5 CCCS(=O)(=O)Cl SBB048026 [1,1,0,0,0,0|1,1,0]=4 249 B6R0.5 CCOS(C)(=O)=O SBB058685 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.5 CS(=O)(=O)CCN SBB047603 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.6 CCCCCCBr SBB059934 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.6 CCCCCCCl SBB059952 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.6 CCCCCCN SBB059984 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.6 CCCCCCO SBB059899 [1,1,0,0,0,0|1,0,1]=4 255 B6R0.6 CCCCCOC SBB061300 [1,1,0,0,0,0|0,1,1]=4 256 B6R0.6 CCCCSC#N SBB056760 [1,1,0,0,0,0|0,0,2]=4 257 B6R0.6 CCCCSCC SBB061178 [1,1,0,0,0,0|0,0,1]=3 258 B6R0.6 CCCNCCC SBB059762 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.6 CCCOCCO SBB061379 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.6 CCCSCCC SBB061017 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.6 CCCSCCO SBB058605 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.6 CCC\C=C\C=O SBB067097 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.6 CCOCCCN SBB028180 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.6 CC\C=C/CCO SBB007739 [1,1,0,0,0,0|1,0,1]=4 265 B6R0.9 CC=C(CC)CC SBB059883 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.9 CCC(C=O)CC SBB059875 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.9 CCN(C=O)CC SBB056822 [1,1,0,0,0,0|2,0,0]=4 268 B8R0.2 CNC(=O)C(Cl)C(C)=O SBB042489 [0,2,0,0,0,0|1,0,1]=4 269 B8R0.2 COC(=O)C(N)C(C)C SBB003876 [0,2,0,0,0,0|0,1,0]=3 270 B8R0.2 COC(=O)[C@@H](N)C(C)C SBB302661 [0,2,0,0,0,0|0,1,0]=3 271 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,2,0,0,0,0|0,1,0]=3 272 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,2,0,0,0,0|0,1,1]=4 273 B8R0.5 CCOC(=O)CC(C)C SBB061114 [0,2,0,0,0,0|0,1,0]=3 274 B8R0.5 CCOC(=O)CC(C)N SBB108871 [0,2,0,0,0,0|0,1,0]=3 275 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.19 CCC(=O)OC(=O)CC SBB060267 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,2,0,0,0,0|1,0,0]=3 278 B8R0.19 COC(=O)CC(=O)CCl SBB061676 [0,2,0,0,0,0|0,1,1]=4 279 B8R0.23 CC(=O)CC(=O)N(C)C SBB007704 [0,2,0,0,0,0|1,0,1]=4 280 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [0,2,0,0,0,0|2,0,0]=4 281 B8R0.24 CC(C)(C)CC(=O)NN SBB021013 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.24 CCC(=O)NC(C)(C)C SBB060291 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.24 CNC(=O)OC(C)(C)C SBB085461 [0,2,0,0,0,0|2,0,0]=4 284 B8R0.24 COC(=O)CS(C)(=O)=O SBB054133 [0,2,0,0,0,0|1,1,0]=4 285 B8R0.1 C=CCOC(=O)CCC SBB061324 [0,2,0,0,0,0|0,1,0]=3 286 B8R0.1 CCC#CC(=O)OCC SBB008819 [0,2,0,0,0,0|0,1,1]=4 287 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,2,0,0,0,0|0,1,0]=3 288 B8R0.1 CCCCC(=O)OCC SBB061113 [0,2,0,0,0,0|0,1,0]=3 289 B8R0.1 CCCCS(=O)CCO SBB019077 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.1 CCCNC(=O)CC#N SBB049417 [0,2,0,0,0,0|1,0,1]=4 291 B8R0.1 CCCOC(=O)CCC SBB061105 [0,2,0,0,0,0|0,1,0]=3 292 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,2,0,0,0,0|0,1,0]=3 293 B8R0.1 CCOC(=O)CCCN SBB003878 [0,2,0,0,0,0|0,1,0]=3 294 B8R0.1 CCOC(=O)NCCO SBB079074 [0,2,0,0,0,0|1,1,0]=4 295 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.1 O=C(CCS)OCCO SBB008479 [0,2,0,0,0,0|1,1,0]=4 297 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,2,0,0,0,0|0,1,1]=4 299 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [0,2,0,0,0,0|0,1,0]=3 300 B8R0.3 CCOC(=O)C(N)CC SBB072718 [0,2,0,0,0,0|0,1,0]=3 301 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [0,2,0,0,0,0|1,1,0]=4 302 B8R0.3 CCOC(C)C(=O)NN SBB080048 [0,2,0,0,0,0|2,0,0]=4 303 B8R0.3 COC(=O)C(C)CCCl SBB054131 [0,2,0,0,0,0|0,1,0]=3 304 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [0,2,0,0,0,0|0,1,0]=3 305 B8R0.6 C=CCSCC(=O)OC SBB008000 [0,2,0,0,0,0|0,1,1]=4 306 B8R0.6 CCCC#CC(=O)OC SBB069575 [0,2,0,0,0,0|0,1,0]=3 307 B8R0.6 CCCCCC(=O)CC SBB060388 [0,2,0,0,0,0|1,0,0]=3 308 B8R0.6 CCCCCC(=O)NN SBB021010 [0,2,0,0,0,0|2,0,0]=4 309 B8R0.6 CCCCCC(=O)NO SBB008093 [0,2,0,0,0,0|2,0,0]=4 310 B8R0.6 CCCCCC(=O)OC SBB060591 [0,2,0,0,0,0|0,1,0]=3 311 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,2,0,0,0,0|2,0,0]=4 312 B8R0.6 CCCCOC(=O)CC SBB060578 [0,2,0,0,0,0|1,0,0]=3 313 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,2,0,0,0,0|2,0,0]=4 314 B8R0.6 CCCCOC(=O)CF SBB085867 [0,2,0,0,0,0|2,0,0]=4 315 B8R0.6 CCCCOC(=O)CS SBB061004 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.6 CCNCCC(=O)NN SBB046550 [0,2,0,0,0,0|2,0,0]=4 317 B8R0.6 CCOCCC(=O)NN SBB079954 [0,2,0,0,0,0|2,0,0]=4 318 B8R0.6 COC(=O)CCCCBr SBB070759 [0,2,0,0,0,0|0,1,0]=3 319 B8R0.6 COCCNC(=O)CCl SBB038704 [0,2,0,0,0,0|2,0,0]=4 320 B8R0.8 C=C(C)C(=O)OCCF SBB085807 [0,2,0,0,0,0|2,0,0]=4 321 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,2,0,0,0,0|2,0,0]=4 322 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,2,0,0,0,0|1,0,0]=3 323 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,2,0,0,0,0|1,0,0]=3 324 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [0,2,0,0,0,0|1,0,0]=3 325 B8R0.9 CC(C)COC(=O)CCl SBB060938 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.9 CC(C)COC(=O)CS SBB061005 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.9 CC(C)OCC(=O)NN SBB080051 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,2,0,0,0,0|1,0,1]=4 329 B8R0.9 CCC(=O)OCC(C)C SBB060974 [0,2,0,0,0,0|1,0,0]=3 330 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,2,0,0,0,0|1,0,1]=4 331 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,2,0,0,0,0|0,1,1]=4 332 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [0,2,0,0,0,0|0,1,1]=4 333 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [0,2,0,0,0,0|1,0,0]=3 334 B8R0.11 CCCCC(C=O)CC SBB060148 [0,2,0,0,0,0|1,0,1]=4 335 B8R0.14 CNCC(=O)C(C)(C)C SBB002868 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.22 C(=O)N(CCC)CCC SBB008026 [0,2,0,0,0,0|2,0,0]=4 337 B8R0.22 CCCC(C=O)CCC SBB052355 [0,2,0,0,0,0|1,0,1]=4 338 B8R0.13 COC(=O)C(C)(Br)CBr SBB080573 [0,2,0,0,0,0|1,1,0]=4 339 B8R0.20 CCC(OC)C(=O)NN SBB080166 [0,2,0,0,0,0|2,0,0]=4 340 B6R1.2 BrC1CCCC1 SBB040823 [1,0,0,1,0,0|1,0,1]=4 341 B6R1.2 CC1=NCCN1 SBB040067 [1,0,0,1,0,0|2,0,0]=4 342 B6R1.2 NC1=NCCS1 SBB004361 [1,0,0,1,0,0|2,0,0]=4 343 B6R1.2 NC1CCCC1 SBB040467 [1,0,0,1,0,0|1,0,1]=4 344 B6R1.2 NN1CCCC1 SBB066760 [1,0,0,1,0,0|2,0,0]=4 345 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,1,0,0|0,0,0]=2 346 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,1,0,0|1,0,0]=3 347 B6R1.2 O=C1CCNN1 SBB007977 [1,0,0,1,0,0|2,0,0]=4 348 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,1,0,0|1,0,0]=3 349 B6R1.2 SC1=NCCS1 SBB004290 [1,0,0,1,0,0|1,1,0]=4 350 B6R1.10 CC1(N)CCC1 SBB072407 [1,0,0,1,0,0|1,0,1]=4 351 B6R1.11 CC(=O)C1CC1 SBB040825 [1,0,0,1,0,0|0,0,0]=2 352 B6R1.11 CC(N)C1CC1 SBB027096 [1,0,0,1,0,0|1,0,1]=4 353 B6R1.11 N=C(N)C1CC1 SBB028203 [1,0,0,1,0,0|2,0,0]=4 354 B6R1.11 NC(=O)C1CC1 SBB008326 [1,0,0,1,0,0|1,0,0]=3 355 B6R1.11 NC(=S)C1CC1 SBB024106 [1,0,0,1,0,0|1,0,1]=4 356 B6R1.11 O=C(Cl)C1CC1 SBB061720 [1,0,0,1,0,0|1,0,0]=3 357 B6R1.11 O=C(O)C1CC1 SBB008028 [1,0,0,1,0,0|0,1,0]=3 358 B6R1.1 C1=COCCC1 SBB060381 [1,0,0,1,0,0|0,1,1]=4 359 B6R1.1 C1CSCCN1 SBB056209 [1,0,0,1,0,0|1,0,1]=4 360 B6R1.1 C1CSCCO1 SBB060674 [1,0,0,1,0,0|1,0,1]=4 361 B6R1.1 C1CSCSC1 SBB061220 [1,0,0,1,0,0|1,0,1]=4 362 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,1,0,1,0,0|0,1,0]=3 363 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,1,0,1,0,0|1,0,1]=4 368 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,1,0,1,0,0|1,0,1]=4 369 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,1,0,1,0,0|0,1,1]=4 370 B8R1.18 CC1=NN(C)C(=O)C1 SBB055838 [0,1,0,1,0,0|1,0,1]=4 371 B8R1.40 O=C(CCl)NC1CC1 SBB016595 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.2 C#CC1=CCCCC1 SBB002648 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.2 C(=O)N1CCCCC1 SBB004316 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.2 CSC1=NCCCS1 SBB056240 [0,1,0,1,0,0|0,1,0]=3 375 B8R1.2 N#CC1=CCCCC1 SBB007873 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.2 O=CC1=CCCOC1 SBB018863 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.2 ON=C1CCCCC1 SBB058381 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,1,0,1,0,0|1,0,0]=3 380 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,1,0,1,0,0|1,0,0]=3 382 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.5 CC1=NCCCN1C SBB001664 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.5 CC1CCCCC1=O SBB058517 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.5 CC1NCCNC1=O SBB080100 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.5 CC1SCCNC1=O SBB111924 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.5 NC1CCCNC1=O SBB012739 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.22 O=C1CCCCCC1 SBB060075 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.22 O=C1CCCCCN1 SBB058658 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.22 O=C1CCNCCN1 SBB056241 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.22 O=S1OCCCCO1 SBB060665 [0,1,0,1,0,0|1,1,0]=4 393 B8R1.22 S=C1NCCCCN1 SBB085765 [0,1,0,1,0,0|1,1,0]=4 394 B8R1.38 COC(=O)C1CCC1 SBB071501 [0,1,0,1,0,0|0,1,0]=3 395 B8R1.38 NNC(=O)C1CCC1 SBB046617 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [0,1,0,1,0,0|1,0,1]=4 397 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,1,0,1,0,0|1,0,1]=4 398 B8R1.50 CN1CCN(C)C1=O SBB008346 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.19 CC1(Br)CCOC1=O SBB057373 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.8 CCCC1=CC=CS1 SBB073407 [0,1,0,1,0,0|1,0,1]=4 401 B8R1.8 CCCC1=NC=CS1 SBB055797 [0,1,0,1,0,0|1,0,1]=4 402 B8R1.8 CCCC1OCCS1 SBB056724 [0,1,0,1,0,0|0,0,2]=4 403 B8R1.39 COC(=O)C1(N)CC1 SBB069778 [0,1,0,1,0,0|0,1,0]=3 404 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [0,1,0,1,0,0|1,1,0]=4