0 B7R0.3 C=C(CC)CCCC SBB060475 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.3 CCC(=O)OCCCl SBB060315 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.3 CCCCC(=O)NN SBB028196 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.3 CCCNC(=O)CCl SBB016586 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.3 CCCOC(=O)CCl SBB060962 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.3 CCCOC(=O)CS SBB061003 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.3 CCOCC(=O)NN SBB080108 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.3 CNCCC(=O)NC SBB046578 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.3 CNCCC(=O)NC SBB080433 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.3 COC(=N)CCCCl SBB056505 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.3 COC(=O)\C=C\CBr SBB070730 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,0,0,0,0,0|2,1,0]=3 12 B7R0.3 NNC(=O)CCCO SBB028199 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 C#CC(=O)OCC SBB060344 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 C=CC(=O)OCC SBB060348 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CCCC(=O)CC SBB061496 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CCCC(=O)NN SBB028175 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CCCC(=O)OC SBB061104 [1,0,0,0,0,0|0,0,0]=1 19 B6R0.1 CCCC(O)CC SBB061363 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.1 CCC\C(N)=N/O SBB028173 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 CCNC(=O)CBr SBB051008 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 CCNC(=O)CCl SBB008200 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 CCOC(=O)CBr SBB060995 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 CCOC(=O)CC SBB060312 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 CCOC(=O)NN SBB028182 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 CNCC(C)OC SBB049894 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.1 COC(=O)CC#N SBB059483 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.1 COC(=O)CCBr SBB070709 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.1 COC(=O)CCN SBB071679 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.1 COCC(=O)NN SBB021113 [1,0,0,0,0,0|2,1,0]=4 31 B6R0.1 C\C=C\C(=O)OC SBB061218 [1,0,0,0,0,0|0,0,2]=3 32 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.4 C#CCCC(=O)O SBB009121 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.4 C=CCCC(=O)O SBB061214 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 CC(=O)NCCN SBB028176 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 CC(=O)NCCO SBB007954 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.4 CCC#CC(C)=O SBB009086 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.4 CCCCC(=O)O SBB053585 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.4 CCCCC(C)=O SBB061262 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.4 CCCCC(C)O SBB061290 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.4 CCCCC(N)=O SBB028169 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 CCCCN(C)C SBB060243 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.4 CCCNC(N)=O SBB028174 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.4 CCCOC(C)=O SBB060305 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 CCCOC(N)=O SBB000036 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.4 CCOCC(=O)O SBB069120 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 CCSCC(=O)O SBB047288 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.4 CNCCC(N)=O SBB080375 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.4 NCCCC(=O)O SBB028179 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.1 CCC#CC(=O)OCC SBB008819 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.1 CCCCC(=O)OCC SBB061113 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.1 CCCCS(=O)CCO SBB019077 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.1 CCCOC(=O)CCC SBB061105 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.1 CCOC(=O)CCCN SBB003878 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.1 CCOC(=O)CNC=O SBB067158 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.1 CCOC(=O)NCCO SBB079074 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.3 COC(=O)C(C)CCCl SBB054131 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [0,1,0,0,0,0|0,0,0]=1 68 B8R0.6 C=CCSCC(=O)OC SBB008000 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.6 CCCC#CC(=O)OC SBB069575 [0,1,0,0,0,0|1,0,1]=3 70 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.6 CCCCCC(=O)NN SBB021010 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.6 CCCCCC(=O)NO SBB008093 [0,1,0,0,0,0|3,0,0]=4 73 B8R0.6 CCCCCC(=O)OC SBB060591 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,1,0,0,0,0|3,0,0]=4 75 B8R0.6 CCCCOC(=O)CC SBB060578 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,1,0,0,0,0|3,0,0]=4 77 B8R0.6 CCCCOC(=O)CF SBB085867 [0,1,0,0,0,0|3,0,0]=4 78 B8R0.6 CCCCOC(=O)CS SBB061004 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.6 CCNCCC(=O)NN SBB046550 [0,1,0,0,0,0|3,0,0]=4 80 B8R0.6 CCOCCC(=O)NN SBB079954 [0,1,0,0,0,0|2,1,0]=4 81 B8R0.6 COC(=O)CCCCBr SBB070759 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.6 COCCNC(=O)CCl SBB038704 [0,1,0,0,0,0|2,1,0]=4 83 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,1,0,0,0,0|3,0,0]=4 87 B8R0.9 CCC(=O)OCC(C)C SBB060974 [0,1,0,0,0,0|3,0,0]=4 88 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,1,0,0,0,0|3,0,0]=4 89 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [0,1,0,0,0,0|1,0,2]=4 91 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.11 CCCCC(C=O)CC SBB060148 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.19 CN\C(C)=C/C(=O)OC SBB037868 [0,1,0,0,0,0|1,0,2]=4 95 B8R0.19 COC(=O)CC(=O)CCl SBB061676 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.2 COC1CCNCC1 SBB019028 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.22 O=S1OCCCCO1 SBB060665 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.38 COC(=O)C1CCC1 SBB071501 [0,0,0,1,0,0|1,0,0]=2 110 B8R1.38 NNC(=O)C1CCC1 SBB046617 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,0,0,1,0,0|3,0,0]=4 113 B5R0.1 C#CCC(=O)O SBB116169 [2,0,0,0,0,0|0,0,2]=4 114 B5R0.1 CC(=O)CC#N SBB014113 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.1 CCCC(=O)Cl SBB040624 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.1 CCOC(=O)Cl SBB040861 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.1 COCC(=O)O SBB061376 [2,0,0,0,0,0|0,1,0]=3 118 B5R0.1 CS(=O)CCN SBB050811 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 CSCC(=O)O SBB053570 [2,0,0,0,0,0|0,0,0]=2 120 B5R0.1 O=C(O)CCBr SBB065770 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.1 O=C(O)CCCl SBB069140 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|0,0,1]=3 123 B5R0.3 C#CC(=O)OC SBB049642 [2,0,0,0,0,0|0,0,2]=4 124 B5R0.3 CCC(=O)NN SBB021112 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.3 CNC(=O)CBr SBB080576 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.3 CNC(=O)CCl SBB049936 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.3 COC(=O)CBr SBB056823 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.3 COC(=O)CCl SBB040686 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.3 COC(=O)NN SBB061728 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.3 P(=O)(OC)OC SBB060964 [2,0,0,0,0,0|1,1,0]=4 131 B7R0.2 CC(C)CC(=O)NN SBB021012 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.2 CC(O)CC(=O)NN SBB072890 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,1,0,0,0,0|0,0,1]=3 135 B7R0.2 COC(=O)C[N+](=O)[O-] SBB001681 [1,1,0,0,0,0|1,1,0]=4 136 B7R0.2 COC(=O)\C=C(\C)N SBB061677 [1,1,0,0,0,0|0,0,2]=4 137 B7R0.5 C=C(C)C(=O)OCC SBB061402 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.5 CCCC(=O)N(C)C SBB008345 [1,1,0,0,0,0|1,0,0]=3 139 B7R0.5 CCOC(=O)C(C)Br SBB058608 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.5 CCOC(=O)C(C)C SBB060711 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.5 CCOC(=O)C(C)N SBB004040 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.5 CN(C)C(=O)CCN SBB085472 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.7 CC#CC(=O)OCC SBB069554 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.7 CCCC(=O)CCC SBB060386 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.7 CCNC(=O)NCC SBB058550 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.7 CCOC(=O)CC#N SBB040821 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.7 CCOC(=O)CCBr SBB070739 [1,1,0,0,0,0|1,0,0]=3 148 B7R0.7 CCOC(=O)CCN SBB004038 [1,1,0,0,0,0|1,0,0]=3 149 B7R0.7 CCOC(=O)CNN SBB021976 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.7 CCOC(=O)CNN SBB054137 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.7 CCOC(=O)OCC SBB060086 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.7 CCOS(=O)OCC SBB060108 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,1,0,0,0,0|0,0,2]=4 154 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.7 P(=O)(OCC)OCC SBB056825 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.10 CCC(Br)C(=O)OC SBB070737 [1,1,0,0,0,0|0,0,0]=2 157 B7R0.10 COC(=O)C(=O)OC SBB040902 [1,1,0,0,0,0|0,1,1]=4 158 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [1,1,0,0,0,0|0,1,1]=4 159 B7R0.10 COC(=O)C(N)CO SBB004026 [1,1,0,0,0,0|0,1,0]=3 160 B7R0.10 COC(=O)C(N)CS SBB054105 [1,1,0,0,0,0|0,0,0]=2 161 B7R0.4 C#CCCCC(=O)O SBB009090 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.4 CCCC#CC(=O)O SBB009091 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.4 CCCCCC(=O)O SBB053586 [1,1,0,0,0,0|1,0,0]=3 165 B7R0.4 CCCCCC(C)=O SBB061125 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.4 CCCCCC(N)=O SBB061056 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.4 CCCCOC(N)=O SBB060819 [1,1,0,0,0,0|2,0,0]=4 168 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.4 CCOCCC(=O)O SBB053607 [1,1,0,0,0,0|0,1,0]=3 170 B7R0.4 COCCOC(C)=O SBB060999 [1,1,0,0,0,0|0,1,0]=3 171 B7R0.4 NCCCCC(=O)O SBB061559 [1,1,0,0,0,0|1,0,0]=3 172 B7R0.4 O=C(O)CCCCBr SBB061343 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.4 O=C(O)CCCCCl SBB061215 [1,1,0,0,0,0|1,0,0]=3 174 B7R0.4 OC(=O)C\C=C/CC SBB006610 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.6 CC(=O)CCC(=O)O SBB040561 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.6 CC(=O)CCC(C)=O SBB040811 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.6 CC(=O)NCC(=O)O SBB036034 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.6 CC(C)CCC(=O)O SBB065829 [1,1,0,0,0,0|1,0,0]=3 179 B7R0.6 O=C(O)CCC(=O)O SBB040562 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.8 CNCCS(=O)(=O)O SBB072665 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.1 CCCCCCOC SBB061157 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.1 C\C=C\CCCCC SBB059885 [1,1,0,0,0,0|2,0,0]=4 183 B9R0.5 CCCC#CC(=O)OCC SBB008805 [0,2,0,0,0,0|1,0,1]=4 184 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,2,0,0,0,0|2,0,0]=4 185 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,2,0,0,0,0|1,0,0]=3 186 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,2,0,0,0,0|2,0,0]=4 187 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,2,0,0,0,0|1,0,0]=3 188 B9R0.5 CCOC(=O)CCN=C=O SBB046971 [0,2,0,0,0,0|1,0,1]=4 189 B9R0.8 COC(=O)C(N)CCCN SBB072642 [0,2,0,0,0,0|1,0,0]=3 190 B9R0.8 COC(=O)C(N)CCSC SBB003548 [0,2,0,0,0,0|0,0,0]=2 191 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [0,2,0,0,0,0|0,0,0]=2 192 B9R0.18 CCCCC(=O)CCCC SBB060073 [0,2,0,0,0,0|2,0,0]=4 193 B9R0.18 CCCCC(=O)OCCC SBB061228 [0,2,0,0,0,0|1,0,0]=3 194 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [0,2,0,0,0,0|1,0,0]=3 195 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [0,2,0,0,0,0|2,0,0]=4 196 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,2,0,0,0,0|2,0,0]=4 198 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.23 COC(=O)C(=O)CC(C)=O SBB004133 [0,2,0,0,0,0|1,0,1]=4 200 B9R0.23 COC(=O)C(C)CN(C)C SBB047158 [0,2,0,0,0,0|1,0,0]=3 201 B9R0.23 COC(=O)[C@@H](N)CC(C)C SBB302662 [0,2,0,0,0,0|1,0,0]=3 202 B9R0.27 C=C(OC)C(N)C(=O)OC SBB059282 [0,2,0,0,0,0|0,1,1]=4 203 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC SBB010304 [0,2,0,0,0,0|1,0,0]=3 204 B9R0.27 COC(=O)C(F)C(=O)OC SBB086684 [0,2,0,0,0,0|0,1,1]=4 205 B9R0.27 COC(=O)C(N)C(=O)OC SBB054110 [0,2,0,0,0,0|0,1,1]=4 206 B9R0.1 COC(=O)CCCC(=O)Cl SBB067933 [0,2,0,0,0,0|1,0,1]=4 207 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [0,2,0,0,0,0|1,0,1]=4 208 B9R0.1 COC(=O)CCC[N+](=O)[O-] SBB013240 [0,2,0,0,0,0|2,0,0]=4 209 B9R0.1 COC(=O)\C=C\CC(C)C SBB054119 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [0,2,0,0,0,0|0,1,0]=3 211 B9R0.46 CCCCC#CC(=O)OC SBB009075 [0,2,0,0,0,0|1,0,0]=3 212 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,2,0,0,0,0|2,0,0]=4 215 B9R0.46 COC(=O)CCCCCN SBB003739 [0,2,0,0,0,0|1,0,0]=3 216 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [0,2,0,0,0,0|2,0,0]=4 217 B9R0.47 CCCCNC(=O)N(C)C SBB008135 [0,2,0,0,0,0|2,0,0]=4 218 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [0,2,0,0,0,0|2,0,0]=4 220 B9R0.42 COC(=O)CC(=O)C(C)C SBB086341 [0,2,0,0,0,0|1,0,1]=4 221 B9R0.42 COC(=O)C[C@H](N)C(=O)O SBB065788 [0,2,0,0,0,0|2,0,0]=4 222 B7R1.2 O=C1COC(=O)C1 SBB008561 [1,0,0,1,0,0|0,1,1]=4 223 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [1,0,0,1,0,0|0,1,0]=3 224 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|0,0,0]=2 227 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|1,1,0]=4 228 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,1,0,0|1,0,0]=3 229 B7R1.3 O=C1CNCCN1 SBB000034 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 OC1CCCCO1 SBB055947 [1,0,0,1,0,0|0,0,2]=4 231 B7R1.4 CN1CCCC1=O SBB060297 [1,0,0,1,0,0|1,0,0]=3 232 B7R1.22 COC(=O)C1CN1 SBB054042 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.22 NNC(=O)C1CC1 SBB021014 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.22 O=C(CBr)C1CC1 SBB051680 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [1,0,0,1,0,0|1,0,0]=3 236 B7R1.18 NC(=O)C1CCC1 SBB111823 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.18 O=C(O)C1CCC1 SBB053465 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.18 O=C(O)C1CCN1 SBB053470 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.18 O=C(O)C1CNC1 SBB027353 [1,0,0,1,0,0|1,0,0]=3 241 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.20 O=C(O)CC1CC1 SBB005442 [1,0,0,1,0,0|1,0,0]=3 243 B7R1.24 C1=CCCCCC1 SBB059889 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.24 C1CNCCOC1 SBB049498 [1,0,0,1,0,0|1,0,1]=4 245 B9R1.15 COC1CCCNC1=O SBB056098 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.15 O=C1CCCCC1CO SBB054864 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.49 O=C1CCC(=O)COC1 SBB000058 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.69 CC1CN(C)CCC1=O SBB001724 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.5 CN1CCCCCC1=O SBB056535 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.5 NC1CCCCNC1=O SBB056282 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,1,0,1,0,0|1,0,0]=3 255 B9R1.5 O=C1CCCCCN1Br SBB057855 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.11 COC(=O)C1CCCC1 SBB071502 [0,1,0,1,0,0|1,0,0]=3 257 B9R1.11 COC(=O)C1CCCN1 SBB046302 [0,1,0,1,0,0|1,0,0]=3 258 B9R1.11 COC(=O)C1CCCN1 SBB054027 [0,1,0,1,0,0|1,0,0]=3 259 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [0,1,0,1,0,0|1,0,0]=3 260 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.1 CCN1CCC(=O)CC1 SBB061714 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.10 CC1(C)COC(=O)OC1 SBB007778 [0,1,0,1,0,0|2,0,0]=4 264 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,2,0,0|2,0,0]=4