0 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.3 CC1CCC(C)CC1 SBB061451 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,0,0,0,0,0|0,0,2]=2 3 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.3 CN1CCC(Cl)CC1 SBB057204 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.3 CN1CCC(N)CC1 SBB004306 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.3 N1CC(C)NCC1C SBB004303 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.3 NN1CCN(C)CC1 SBB004299 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.3 N[C@H]1CC[C@H](N)CC1 SBB008553 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.3 N[C@H]1CC[C@H](O)CC1 SBB005825 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,0,0,0,0,0|1,0,1]=2 12 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.3 O=C1CNC(=O)CN1 SBB079702 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.3 OC1CCC(Cl)CC1 SBB007863 [0,0,0,0,0,0|1,0,2]=3 15 B8R1.3 OC1CCN(C)CC1 SBB004301 [0,0,0,0,0,0|1,0,2]=3 16 B7R1.3 BrC1CCCCC1 SBB059944 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.3 BrC1CCNCC1 SBB054613 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 CC1CC=CCC1 SBB060473 [1,0,0,0,0,0|0,0,1]=2 19 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,0,0,0|0,0,1]=2 20 B7R1.3 CC1SCCCS1 SBB056211 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.3 CN1CCCCC1 SBB060237 [1,0,0,0,0,0|1,0,1]=3 22 B7R1.3 CN1CCOCC1 SBB061013 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 ClC1CCOCC1 SBB070678 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 FC1CCCNC1 SBB070684 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.3 FC1CCNCC1 SBB070685 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 N1CCC(C)CC1 SBB027302 [1,0,0,0,0,0|1,0,0]=2 27 B7R1.3 N1CCCC(C)C1 SBB027301 [1,0,0,0,0,0|1,0,1]=3 28 B7R1.3 N1CCCC(O)C1 SBB004193 [1,0,0,0,0,0|1,0,2]=4 29 B7R1.3 N1CCCCC1C SBB027300 [1,0,0,0,0,0|1,0,1]=3 30 B7R1.3 N1CCN(C)CC1 SBB027304 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 N1CCNC(C)C1 SBB027299 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.3 NC1CCCCC1 SBB040492 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.3 NC1CCCNC1 SBB052004 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.3 NC1CCCOC1 SBB012974 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.3 NC1CCNCC1 SBB028166 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 NC1CCOCC1 SBB014873 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.3 NC1CCOCC1 SBB069906 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.3 NN1CCCCC1 SBB067336 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.3 NN1CCOCC1 SBB004363 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.3 N[C@H]1CCCNC1 SBB017596 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,0,0,0|0,0,2]=3 43 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,0,0,0|0,0,0]=1 44 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,0,0,0|1,0,0]=2 45 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,0,0,0|1,0,0]=2 47 B7R1.3 O=C1CNCCN1 SBB000034 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 OC1CCCCC1 SBB060483 [1,0,0,0,0,0|0,0,2]=3 49 B7R1.3 OC1CCCCO1 SBB055947 [1,0,0,0,0,0|1,0,2]=4 50 B7R1.3 OC1CCCNC1 SBB027351 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.3 OC1CCNCC1 SBB027346 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 OC1CCOCC1 SBB055945 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 S=C1NCCCN1 SBB017542 [1,0,0,0,0,0|2,1,0]=4 54 B7R1.3 S=C1NCCCS1 SBB085843 [1,0,0,0,0,0|2,1,0]=4 55 B7R1.3 SC1=NCCCN1 SBB039536 [1,0,0,0,0,0|2,1,0]=4 56 B9R1.1 CC1=CCC(C#N)CC1 SBB008477 [0,1,0,0,0,0|1,0,2]=4 57 B9R1.1 CC1CCC(=NO)CC1 SBB108710 [0,1,0,0,0,0|0,0,1]=2 58 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,1,0,0,0,0|0,0,0]=1 59 B9R1.1 CCC1CCC(C)NC1 SBB085696 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.1 CCC1CCC(N)CC1 SBB085697 [0,1,0,0,0,0|1,0,1]=3 61 B9R1.1 CCC1CCC(O)CC1 SBB058793 [0,1,0,0,0,0|0,0,2]=3 62 B9R1.1 CCN1CCC(=O)CC1 SBB061714 [0,1,0,0,0,0|1,0,0]=2 63 B9R1.1 CCN1CCC(N)CC1 SBB021240 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.1 CN1CCC(=NO)CC1 SBB021192 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.1 CN1CCC(CN)CC1 SBB009719 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.1 CN1CCC(CO)CC1 SBB014682 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.1 CNC1CCN(C)CC1 SBB023886 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [0,1,0,0,0,0|0,0,0]=1 69 B9R1.10 CC1(C)CNC(=S)NC1 SBB006396 [0,1,0,0,0,0|2,1,0]=4 70 B9R1.10 CC1(C)COC(=O)OC1 SBB007778 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.10 NC1CCC(F)(F)CC1 SBB088552 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.10 O=C1CCC(F)(F)CC1 SBB085853 [0,1,0,0,0,0|1,0,0]=2 73 B9R1.10 O=C1CCS(=O)(=O)CC1 SBB050980 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.69 CC1CN(C)CCC1=O SBB001724 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.69 CC1CNC(=O)NC1=O SBB058146 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.3 C=C(CC)CCCC SBB060475 [0,0,1,0,0,0|1,0,0]=2 77 B7R0.3 CC(CN)CCCN SBB058625 [0,0,1,0,0,0|2,0,1]=4 78 B7R0.3 CCC(=O)OCCCl SBB060315 [0,0,1,0,0,0|2,0,0]=3 79 B7R0.3 CCC(C)CN=C=S SBB085743 [0,0,1,0,0,0|1,1,1]=4 80 B7R0.3 CCCCC(=O)NN SBB028196 [0,0,1,0,0,0|2,0,0]=3 81 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,0,1,0,0,0|2,0,1]=4 82 B7R0.3 CCCNC(=O)CCl SBB016586 [0,0,1,0,0,0|2,0,0]=3 83 B7R0.3 CCCOC(=O)CCl SBB060962 [0,0,1,0,0,0|2,0,0]=3 84 B7R0.3 CCCOC(=O)CS SBB061003 [0,0,1,0,0,0|2,0,0]=3 85 B7R0.3 CCN(C)CCCO SBB046555 [0,0,1,0,0,0|1,0,2]=4 86 B7R0.3 CCNCC(O)CC SBB072921 [0,0,1,0,0,0|1,0,2]=4 87 B7R0.3 CCOCC(=O)NN SBB080108 [0,0,1,0,0,0|3,0,0]=4 88 B7R0.3 CNCCC(=O)NC SBB046578 [0,0,1,0,0,0|2,0,0]=3 89 B7R0.3 CNCCC(=O)NC SBB080433 [0,0,1,0,0,0|2,0,0]=3 90 B7R0.3 COC(=N)CCCCl SBB056505 [0,0,1,0,0,0|3,0,0]=4 91 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,0,1,0,0,0|3,0,0]=4 92 B7R0.3 NNC(=O)CCCO SBB028199 [0,0,1,0,0,0|3,0,0]=4 93 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,0,1,0,0,0|3,0,0]=4 94 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,0,1,0,0,0|2,0,1]=4 95 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,0,1,0,0,0|1,0,1]=3 96 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,0,1,0,0,0|1,0,0]=2 97 B7R0.6 CC(C)CCC(C)N SBB008544 [0,0,1,0,0,0|1,0,1]=3 98 B7R0.6 CC(C)CCC(C)O SBB061318 [0,0,1,0,0,0|0,0,2]=3 99 B7R0.6 CC(C)CNC(C)C SBB046539 [0,0,1,0,0,0|2,0,1]=4 100 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,0,1,0,0,0|2,0,0]=3 101 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,0,1,0,0,0|1,0,2]=4 102 B7R0.6 CC(O)COC(C)C SBB061008 [0,0,1,0,0,0|1,0,2]=4 103 B7R0.6 CN(C)CCN(C)C SBB060239 [0,0,1,0,0,0|3,0,0]=4 104 B9R2.49 C1CN2CCN1CC2 SBB060902 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.2 CC1CNC(=S)N1 SBB055856 [0,0,0,0,1,0|2,1,0]=4 106 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,0,0,0,1,0|2,0,1]=4 107 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,0,0,0,1,0|2,0,1]=4 108 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,0,0,0,1,0|2,0,1]=4 109 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,0,0,0,1,0|2,0,1]=4 110 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,0,0,0,1,0|2,0,0]=3 111 B9R1.49 O=C1CCC(=O)COC1 SBB000058 [0,0,0,0,0,1|1,0,1]=3 112 B6R0.1 CCCC(=O)CC SBB061496 [1,0,1,0,0,0|0,0,0]=2 113 B6R0.1 CCCC(=O)NN SBB028175 [1,0,1,0,0,0|2,0,0]=4 114 B6R0.1 CCCC(=O)OC SBB061104 [1,0,1,0,0,0|1,0,0]=3 115 B6R0.1 CCCC(C)CO SBB061282 [1,0,1,0,0,0|1,0,1]=4 116 B6R0.1 CCCC(O)CC SBB061363 [1,0,1,0,0,0|0,0,2]=4 117 B6R0.1 CCNC(=O)CBr SBB051008 [1,0,1,0,0,0|2,0,0]=4 118 B6R0.1 CCNC(=O)CCl SBB008200 [1,0,1,0,0,0|2,0,0]=4 119 B6R0.1 CCOC(=O)CBr SBB060995 [1,0,1,0,0,0|2,0,0]=4 120 B6R0.1 CCOC(=O)CC SBB060312 [1,0,1,0,0,0|1,0,0]=3 121 B6R0.1 CNC(C)CCO SBB046542 [1,0,1,0,0,0|1,0,1]=4 122 B6R0.1 COC(=O)CCBr SBB070709 [1,0,1,0,0,0|2,0,0]=4 123 B6R0.1 COC(=O)CCN SBB071679 [1,0,1,0,0,0|2,0,0]=4 124 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,1,0,0,0|0,0,2]=4 126 B6R0.4 C=COCC(C)C SBB060157 [1,0,1,0,0,0|1,0,1]=4 127 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.4 CC(=O)NCCN SBB028176 [1,0,1,0,0,0|2,0,0]=4 129 B6R0.4 CC(=O)NCCO SBB007954 [1,0,1,0,0,0|2,0,0]=4 130 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,1,0,0,0|2,0,0]=4 131 B6R0.4 CC(C)COC=O SBB061244 [1,0,1,0,0,0|1,0,0]=3 132 B6R0.4 CCC#CC(C)=O SBB009086 [1,0,1,0,0,0|0,0,2]=4 133 B6R0.4 CCCCC(=O)O SBB053585 [1,0,1,0,0,0|1,0,0]=3 134 B6R0.4 CCCCC(C)=O SBB061262 [1,0,1,0,0,0|0,0,0]=2 135 B6R0.4 CCCCC(C)O SBB061290 [1,0,1,0,0,0|0,0,2]=4 136 B6R0.4 CCCCC(N)=O SBB028169 [1,0,1,0,0,0|1,0,0]=3 137 B6R0.4 CCCCN(C)C SBB060243 [1,0,1,0,0,0|1,0,1]=4 138 B6R0.4 CCCNC(N)=O SBB028174 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.4 CCCOC(C)=O SBB060305 [1,0,1,0,0,0|1,0,0]=3 140 B6R0.4 CCCOC(N)=O SBB000036 [1,0,1,0,0,0|2,0,0]=4 141 B6R0.4 CCOCC(=O)O SBB069120 [1,0,1,0,0,0|2,0,0]=4 142 B6R0.4 CCSCC(=O)O SBB047288 [1,0,1,0,0,0|2,0,0]=4 143 B6R0.4 CNCCC(N)=O SBB080375 [1,0,1,0,0,0|2,0,0]=4 144 B6R0.4 NCCCC(=O)O SBB028179 [1,0,1,0,0,0|2,0,0]=4 145 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,0,1,0,0,0|2,0,0]=4 146 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,1,0,0,0|2,0,0]=4 147 B6R0.6 C#CCCCCC SBB067441 [1,0,1,0,0,0|1,0,1]=4 148 B6R0.6 C=CCCCCBr SBB054740 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.6 C=CCCCCC SBB059882 [1,0,1,0,0,0|1,0,0]=3 150 B6R0.6 CCCCCC#N SBB060051 [1,0,1,0,0,0|1,0,1]=4 151 B6R0.6 CCCCCCBr SBB059934 [1,0,1,0,0,0|1,0,1]=4 152 B6R0.6 CCCCCCCl SBB059952 [1,0,1,0,0,0|1,0,1]=4 153 B6R0.6 CCCCCCN SBB059984 [1,0,1,0,0,0|1,0,1]=4 154 B6R0.6 CCCCCCO SBB059899 [1,0,1,0,0,0|0,0,2]=4 155 B6R0.6 CCCCCOC SBB061300 [1,0,1,0,0,0|1,0,1]=4 156 B6R0.6 CCCCNC=O SBB060026 [1,0,1,0,0,0|1,0,0]=3 157 B6R0.6 CCCCOC=O SBB060300 [1,0,1,0,0,0|1,0,0]=3 158 B6R0.6 CCCCSCC SBB061178 [1,0,1,0,0,0|1,0,0]=3 159 B6R0.6 CCCNCCC SBB059762 [1,0,1,0,0,0|1,0,1]=4 160 B6R0.6 CCCSCCC SBB061017 [1,0,1,0,0,0|1,0,1]=4 161 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,1,0,0,0|0,0,2]=4 162 B6R0.6 CCOCCCN SBB028180 [1,0,1,0,0,0|2,0,0]=4 163 B6R0.6 CC\C=C/CCO SBB007739 [1,0,1,0,0,0|1,0,1]=4 164 B6R1.1 C1=COCCC1 SBB060381 [2,0,0,0,0,0|1,0,1]=4 165 B6R1.1 C1CSCCN1 SBB056209 [2,0,0,0,0,0|2,0,0]=4 166 B6R1.1 C1CSCCO1 SBB060674 [2,0,0,0,0,0|2,0,0]=4 167 B6R1.1 C1CSCSC1 SBB061220 [2,0,0,0,0,0|2,0,0]=4 168 B8R0.1 CCC#CC(=O)OCC SBB008819 [0,1,1,0,0,0|0,0,2]=4 169 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,1,1,0,0,0|2,0,0]=4 170 B8R0.1 CCCCC(=O)OCC SBB061113 [0,1,1,0,0,0|0,0,0]=2 171 B8R0.1 CCCCC(O)CCC SBB059905 [0,1,1,0,0,0|0,0,2]=4 172 B8R0.1 CCCCS(=O)CCO SBB019077 [0,1,1,0,0,0|1,0,0]=3 173 B8R0.1 CCCNC(=O)CC#N SBB049417 [0,1,1,0,0,0|1,0,1]=4 174 B8R0.1 CCCOC(=O)CCC SBB061105 [0,1,1,0,0,0|1,0,0]=3 175 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,1,1,0,0,0|1,0,0]=3 176 B8R0.1 CCOC(=O)CCCN SBB003878 [0,1,1,0,0,0|1,0,0]=3 177 B8R0.1 CCOC(=O)NCCO SBB079074 [0,1,1,0,0,0|2,0,0]=4 178 B8R0.1 O=C(CCS)OCCO SBB008479 [0,1,1,0,0,0|2,0,0]=4 179 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,1,1,0,0,0|1,0,1]=4 180 B8R0.3 COC(=O)C(C)CCCl SBB054131 [0,1,1,0,0,0|2,0,0]=4 181 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [0,1,1,0,0,0|2,0,0]=4 182 B8R0.3 O=CC[C@H](O)[C@H](O)CO SBB067136 [0,1,1,0,0,0|2,0,0]=4 183 B8R0.6 CCC(C)NCCC#N SBB116741 [0,1,1,0,0,0|1,0,1]=4 184 B8R0.6 CCCC#CC(=O)OC SBB069575 [0,1,1,0,0,0|1,0,1]=4 185 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,1,0,0,0|0,0,0]=2 186 B8R0.6 CCCCCC(=O)NN SBB021010 [0,1,1,0,0,0|2,0,0]=4 187 B8R0.6 CCCCCC(=O)NO SBB008093 [0,1,1,0,0,0|2,0,0]=4 188 B8R0.6 CCCCCC(=O)OC SBB060591 [0,1,1,0,0,0|1,0,0]=3 189 B8R0.6 CCCCCC(O)CC SBB059904 [0,1,1,0,0,0|0,0,2]=4 190 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,1,1,0,0,0|1,0,0]=3 191 B8R0.6 CCCCOC(=O)CC SBB060578 [0,1,1,0,0,0|0,0,0]=2 192 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,1,1,0,0,0|1,0,0]=3 193 B8R0.6 CCCCOC(=O)CF SBB085867 [0,1,1,0,0,0|1,0,0]=3 194 B8R0.6 CCCCOC(=O)CS SBB061004 [0,1,1,0,0,0|1,0,0]=3 195 B8R0.6 CCNCCC(=O)NN SBB046550 [0,1,1,0,0,0|2,0,0]=4 196 B8R0.6 CCOCCC(=O)NN SBB079954 [0,1,1,0,0,0|2,0,0]=4 197 B8R0.6 COC(=O)CCCCBr SBB070759 [0,1,1,0,0,0|1,0,0]=3 198 B8R0.6 COCCNC(=O)CCl SBB038704 [0,1,1,0,0,0|2,0,0]=4 199 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,1,1,0,0,0|2,0,0]=4 200 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,1,0,0,0|0,0,1]=3 201 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,1,1,0,0,0|1,0,0]=3 202 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [0,1,1,0,0,0|1,0,0]=3 203 B8R0.9 CC(C)COC(=O)CCl SBB060938 [0,1,1,0,0,0|2,0,0]=4 204 B8R0.9 CC(C)COC(=O)CS SBB061005 [0,1,1,0,0,0|2,0,0]=4 205 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,1,1,0,0,0|1,0,1]=4 206 B8R0.9 CCC(=O)OCC(C)C SBB060974 [0,1,1,0,0,0|1,0,0]=3 207 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [0,1,1,0,0,0|0,0,1]=3 208 B8R0.11 CCCCC(C=O)CC SBB060148 [0,1,1,0,0,0|0,0,1]=3 209 B8R0.11 CCCCC(CC)CBr SBB059938 [0,1,1,0,0,0|1,0,1]=4 210 B8R0.11 CCCCC(CC)CCl SBB005809 [0,1,1,0,0,0|1,0,1]=4 211 B8R0.11 CCCCC(CC)CI SBB061182 [0,1,1,0,0,0|1,0,1]=4 212 B8R0.11 CCCCC(CC)CO SBB059906 [0,1,1,0,0,0|0,0,2]=4 213 B8R0.11 NCC(CC)CCCC SBB006745 [0,1,1,0,0,0|1,0,1]=4 214 B8R0.19 CCC(=O)OC(=O)CC SBB060267 [0,1,1,0,0,0|1,0,1]=4 215 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,1,1,0,0,0|1,0,0]=3 216 B8R0.25 CCCCC(C)(O)CC SBB061166 [0,1,1,0,0,0|0,0,2]=4 217 B8R0.23 CC(=O)CC(=O)N(C)C SBB007704 [0,1,1,0,0,0|1,0,1]=4 218 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [0,1,1,0,0,0|1,0,0]=3 219 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [0,1,1,0,0,0|1,0,0]=3 220 B8R0.23 CC(C)CC(O)C(C)C SBB116858 [0,1,1,0,0,0|1,0,1]=4 221 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [0,1,1,0,0,0|1,0,0]=3 222 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,1,1,0,0,0|1,0,0]=3 223 B8R0.23 CC(C)OC(C)C(=O)[O-] SBB080489 [0,1,1,0,0,0|2,0,0]=4 224 B8R0.29 CC(C)(N)CCC(=O)O SBB019066 [0,1,1,0,0,0|1,0,0]=3 225 B8R0.29 CC(C)CCC(C)(C)O SBB072704 [0,1,1,0,0,0|0,0,2]=4 226 B8R1.2 BrCC1CCCCO1 SBB054944 [1,1,0,0,0,0|1,0,1]=4 227 B8R1.2 BrCC1CCCNC1 SBB019055 [1,1,0,0,0,0|1,0,1]=4 228 B8R1.2 BrCC1CCOCC1 SBB054945 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.2 C#CC1=CCCCC1 SBB002648 [1,1,0,0,0,0|1,0,1]=4 230 B8R1.2 C(=O)N1CCCCC1 SBB004316 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.2 C(=O)N1CCNCC1 SBB027307 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.2 C(=O)N1CCOCC1 SBB007670 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.2 C=CC1CC=CCC1 SBB059892 [1,1,0,0,0,0|0,0,2]=4 234 B8R1.2 CCC1CCCCC1 SBB061162 [1,1,0,0,0,0|0,0,1]=3 235 B8R1.2 CCC1CCNCC1 SBB046379 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.2 CCN1CCCCC1 SBB061409 [1,1,0,0,0,0|1,0,1]=4 237 B8R1.2 CCN1CCOCC1 SBB060634 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.2 COC1CCNCC1 SBB019028 [1,1,0,0,0,0|1,0,0]=3 239 B8R1.2 ClCC1CCCCO1 SBB040653 [1,1,0,0,0,0|1,0,1]=4 240 B8R1.2 N#CC1=CCCCC1 SBB007873 [1,1,0,0,0,0|1,0,1]=4 241 B8R1.2 N#CC1CC=CCC1 SBB007998 [1,1,0,0,0,0|0,0,2]=4 242 B8R1.2 N#CC1CCCCC1 SBB008404 [1,1,0,0,0,0|0,0,2]=4 243 B8R1.2 N#CC1CCNCC1 SBB062695 [1,1,0,0,0,0|1,0,1]=4 244 B8R1.2 N#CC1CCOCC1 SBB019014 [1,1,0,0,0,0|1,0,1]=4 245 B8R1.2 N(C)C1CCCCC1 SBB004314 [1,1,0,0,0,0|0,0,1]=3 246 B8R1.2 N1CCCCC1CC SBB004312 [1,1,0,0,0,0|1,0,1]=4 247 B8R1.2 N1CCN(CC)CC1 SBB006719 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.2 NCC1CCCCC1 SBB028193 [1,1,0,0,0,0|0,0,1]=3 249 B8R1.2 NCC1CCCCN1 SBB069774 [1,1,0,0,0,0|1,0,1]=4 250 B8R1.2 NCC1CCCCO1 SBB085471 [1,1,0,0,0,0|1,0,1]=4 251 B8R1.2 NCC1CCCOC1 SBB013821 [1,1,0,0,0,0|1,0,1]=4 252 B8R1.2 NCC1CCNCC1 SBB004305 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.2 NCC1CCOCC1 SBB014254 [1,1,0,0,0,0|1,0,0]=3 254 B8R1.2 O=CC1=CCCOC1 SBB018863 [1,1,0,0,0,0|1,0,1]=4 255 B8R1.2 O=CC1CC=CCC1 SBB068360 [1,1,0,0,0,0|0,0,2]=4 256 B8R1.2 O=CC1CCNCC1 SBB052337 [1,1,0,0,0,0|1,0,1]=4 257 B8R1.2 O=CC1CCOCC1 SBB052321 [1,1,0,0,0,0|1,0,1]=4 258 B8R1.2 OCC1CC=CCC1 SBB054865 [1,1,0,0,0,0|0,0,1]=3 259 B8R1.2 OCC1CCCCC1 SBB061328 [1,1,0,0,0,0|0,0,1]=3 260 B8R1.2 OCC1CCCCN1 SBB058544 [1,1,0,0,0,0|1,0,1]=4 261 B8R1.2 OCC1CCCCO1 SBB008943 [1,1,0,0,0,0|1,0,1]=4 262 B8R1.2 OCC1CCCOC1 SBB014200 [1,1,0,0,0,0|1,0,1]=4 263 B8R1.2 OCC1CCNCC1 SBB054833 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.2 ON=C1CCCCC1 SBB058381 [1,1,0,0,0,0|0,0,1]=3 265 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [1,1,0,0,0,0|0,0,2]=4 266 B8R1.4 CC1CCCC(C)C1 SBB061164 [1,1,0,0,0,0|0,0,1]=3 267 B8R1.4 CC1CCCC(C)N1 SBB004313 [1,1,0,0,0,0|1,0,1]=4 268 B8R1.4 CC1CCCC(O)C1 SBB061310 [1,1,0,0,0,0|0,0,1]=3 269 B8R1.4 CC1CCNC(C)C1 SBB004310 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.4 CC1CNCC(C)C1 SBB027312 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.4 CN1CCCC(N)C1 SBB047756 [1,1,0,0,0,0|1,0,1]=4 272 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [1,1,0,0,0,0|0,0,2]=4 273 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [1,1,0,0,0,0|0,0,1]=3 274 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [1,1,0,0,0,0|1,0,1]=4 275 B8R1.5 BrC1CCCC[C@@H]1Br SBB060495 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.5 CC1=C(C)CCCC1 SBB060472 [1,1,0,0,0,0|1,0,1]=4 277 B8R1.5 CC1CCCCC1=O SBB058517 [1,1,0,0,0,0|0,0,0]=2 278 B8R1.5 CC1CCCCC1N SBB061724 [1,1,0,0,0,0|0,0,1]=3 279 B8R1.5 CC1CCCCN1C SBB060747 [1,1,0,0,0,0|1,0,1]=4 280 B8R1.5 CC1CCCNC1C SBB027556 [1,1,0,0,0,0|1,0,1]=4 281 B8R1.5 CC1CNCCC1O SBB300760 [1,1,0,0,0,0|1,0,1]=4 282 B8R1.5 CC1NCCNC1=O SBB080100 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.5 CC1SCCNC1=O SBB111924 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.5 Cl[C@H]1CCCC[C@H]1Cl SBB007831 [1,1,0,0,0,0|1,0,1]=4 285 B8R1.5 FC1CCCCC1Br SBB089745 [1,1,0,0,0,0|1,0,1]=4 286 B8R1.5 NC1CCCNC1=O SBB012739 [1,1,0,0,0,0|1,0,0]=3 287 B8R1.5 N[C@@H]1CCCC[C@H]1N SBB007639 [1,1,0,0,0,0|1,0,1]=4 288 B8R1.5 O=C1CCCCC1Cl SBB061548 [1,1,0,0,0,0|0,0,0]=2 289 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [1,1,0,0,0,0|0,0,2]=4 290 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [1,1,0,0,0,0|0,0,2]=4 291 B8R1.72 CC1(C)CCCNC1 SBB027276 [1,1,0,0,0,0|1,0,1]=4 292 B8R1.72 CC1(C)CCOCO1 SBB060068 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.72 CC1(O)CCCCC1 SBB061165 [1,1,0,0,0,0|0,0,1]=3 294 B8R1.72 C[N+]1(C)CCOCC1 SBB057461 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.72 C[N+]1([O-])CCOCC1 SBB058349 [1,1,0,0,0,0|2,0,0]=4 296 B8R1.72 FC1(F)CCNCC1 SBB087231 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.72 O=S1(=O)CCNCC1 SBB010267 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.72 O=S1(=O)CCNCC1 SBB056140 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.72 OC1(O)CCNCC1 SBB004037 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.1 CN1CCC(CCl)C1 SBB012983 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.1 CNC1CCN(C)C1 SBB052021 [0,1,0,0,1,0|2,0,0]=4 304 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,1,0,0,1,0|1,0,0]=3 305 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,1,0,0,1,0|1,0,0]=3 307 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,1,0,0,1,0|1,0,1]=4 308 B8R1.51 NC1CCS(=O)(=O)C1 SBB005601 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.51 NC1CCS(=O)(=O)C1 SBB073006 [0,1,0,0,1,0|2,0,0]=4 310 B8R1.51 O=S1(=O)CCC(Br)C1 SBB019024 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.51 O=S1(=O)CCC(Cl)C1 SBB041213 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.51 O=S1(=O)CCC(O)C1 SBB001886 [0,1,0,0,1,0|2,0,0]=4 313 B10R1.1 CC1CCN(CC#N)CC1 SBB086031 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.1 CC1CCN(CCN)CC1 SBB007290 [0,2,0,0,0,0|2,0,0]=4 315 B10R1.1 CCCC1CCC(=O)CC1 SBB008421 [0,2,0,0,0,0|0,0,0]=2 316 B10R1.1 CCCC1CCC(O)CC1 SBB055278 [0,2,0,0,0,0|0,0,2]=4 317 B10R1.1 CCNC1CCN(C)CC1 SBB301946 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.1 CN1CCC(CC=O)CC1 SBB052338 [0,2,0,0,0,0|1,0,1]=4 319 B10R1.1 CN1CCC(CCN)CC1 SBB025006 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.3 CCN1CCC(=NO)CC1 SBB021191 [0,2,0,0,0,0|1,0,1]=4 321 B10R1.3 COC1CCC(OC)CC1 SBB006253 [0,2,0,0,0,0|0,0,2]=4 322 B10R1.3 NCC1CCC(CN)CC1 SBB015076 [0,2,0,0,0,0|1,0,1]=4 323 B10R1.3 OCC1CCC(CO)CC1 SBB058762 [0,2,0,0,0,0|0,0,2]=4 324 B10R1.13 C=C(C)[C@H]1CC=C(C)CC1 SBB055254 [0,2,0,0,0,0|1,0,1]=4 325 B10R1.13 CC(=O)N1CCC(=O)CC1 SBB040812 [0,2,0,0,0,0|1,0,0]=3 326 B10R1.13 CC(C)C1CCC(=O)CC1 SBB007754 [0,2,0,0,0,0|0,0,0]=2 327 B10R1.13 CC(C)C1CCC(O)CC1 SBB008023 [0,2,0,0,0,0|0,0,2]=4 328 B10R1.13 CC(C)N1CCC(=O)CC1 SBB005846 [0,2,0,0,0,0|1,0,0]=3 329 B10R1.13 CC1CCC(C(=O)O)CC1 SBB065950 [0,2,0,0,0,0|0,0,1]=3 330 B10R1.13 CC1CCC(C(C)C)CC1 SBB008406 [0,2,0,0,0,0|1,0,1]=4 331 B10R1.13 CC1CCN(C(=N)N)CC1 SBB056096 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.13 CC1CCN(C(=N)N)CC1 SBB302672 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.13 CN1CCC(C(=O)O)CC1 SBB025225 [0,2,0,0,0,0|1,0,1]=4 334 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SBB028269 [0,2,0,0,0,0|1,0,1]=4 335 B10R1.13 O=C(O)C1CCC(O)CC1 SBB007787 [0,2,0,0,0,0|1,0,1]=4 336 B10R1.13 O=C1CCC(C(=O)O)CC1 SBB053428 [0,2,0,0,0,0|0,0,1]=3 337 B10R1.176 CCN1CCC(=O)C(C)C1 SBB002317 [0,2,0,0,0,0|1,0,0]=3 338 B10R1.147 CC1C[N+](C)(C)CCC1=O SBB014697 [0,2,0,0,0,0|1,0,0]=3 339 B10R1.22 CC1CC(=O)CN(C)C1C SBB002863 [0,2,0,0,0,0|1,0,0]=3 340 B10R1.22 CC1CN(C)CC(C)C1=O SBB002813 [0,2,0,0,0,0|1,0,0]=3 341 B10R1.118 [C@H]1(C)C[C@@H](C)C(=O)OC1=O SBB086230 [0,2,0,0,0,0|1,0,1]=4 342 B10R1.119 CC1C(=O)CCN(C)C1C SBB002408 [0,2,0,0,0,0|1,0,0]=3 343 B8R1.22 NC1CCCCCC1 SBB004311 [0,0,1,1,0,0|1,0,1]=4 344 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,1,1,0,0|0,0,0]=2 345 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,1,1,0,0|1,0,0]=3 346 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,1,1,0,0|2,0,0]=4 347 B8R1.22 OC1CCCCCC1 SBB061138 [0,0,1,1,0,0|0,0,2]=4 348 B8R1.38 COC(=O)C1CCC1 SBB071501 [0,0,1,1,0,0|1,0,0]=3 349 B8R1.38 NNC(=O)C1CCC1 SBB046617 [0,0,1,1,0,0|2,0,0]=4 350 B8R1.40 O=C(CCl)NC1CC1 SBB016595 [0,0,1,1,0,0|2,0,0]=4 351 B8R1.77 CC1(C)CC1C(=O)O SBB053459 [0,0,1,1,0,0|1,0,0]=3 352 B8R1.77 CC1(C)CC1C(N)=O SBB056262 [0,0,1,1,0,0|1,0,0]=3 353 B8R2.25 C1CCC2OC2C1 SBB061377 [1,0,0,1,0,0|0,0,2]=4 354 B8R2.34 C1CC2CC1CN2 SBB013021 [1,0,0,1,0,0|1,0,1]=4 355 B10R2.178 O=C1CCC2CO[C@@H]1O2 SBB014281 [0,0,0,1,0,1|1,0,0]=3 356 B10R2.409 C1CC2CCC1CNC2 SBB012882 [0,0,0,1,0,1|1,0,1]=4 357 B10R2.62 C12CCN(CC1)CC2N SBB052040 [0,1,0,1,0,0|2,0,0]=4 358 B10R2.62 NC1CN2CCC1CC2 SBB000378 [0,1,0,1,0,0|2,0,0]=4 359 B10R2.62 NC1CN2CCC1CC2 SBB004248 [0,1,0,1,0,0|2,0,0]=4 360 B10R2.62 N[C@@H]1CN2CCC1CC2 SBB052036 [0,1,0,1,0,0|2,0,0]=4 361 B10R2.62 N[C@H]1CN2CCC1CC2 SBB052035 [0,1,0,1,0,0|2,0,0]=4 362 B10R2.62 O=C1CN2CCC1CC2 SBB056219 [0,1,0,1,0,0|1,0,1]=4 363 B10R2.62 O=C1CN2CCC1CC2 SBB080572 [0,1,0,1,0,0|1,0,1]=4 364 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,0,1,0,1,0|0,0,2]=4 365 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,0,1,0,1,0|1,0,1]=4 366 B6R0.2 CC(=O)CC(C)C SBB060384 [0,0,1,0,1,0|0,0,0]=2 367 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,0,1,0,1,0|1,0,0]=3 368 B6R0.2 CC(C)CC(C)Br SBB007950 [0,0,1,0,1,0|1,0,1]=4 369 B6R0.2 CC(C)CC(C)O SBB061337 [0,0,1,0,1,0|0,0,2]=4 370 B6R0.2 CC(C)CC(N)=O SBB028167 [0,0,1,0,1,0|1,0,0]=3 371 B6R0.2 CC(O)CC(=O)O SBB065815 [0,0,1,0,1,0|2,0,0]=4 372 B6R0.2 CN(C)CC(=O)O SBB065779 [0,0,1,0,1,0|2,0,0]=4 373 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,0,1,0,1,0|2,0,0]=4 374 B6R1.2 BrC1CCCC1 SBB040823 [1,0,0,0,1,0|1,0,0]=3 375 B6R1.2 F[C@H]1CCNC1 SBB085616 [1,0,0,0,1,0|2,0,0]=4 376 B6R1.2 N1CCC(N)C1 SBB027337 [1,0,0,0,1,0|2,0,0]=4 377 B6R1.2 NC1CCCC1 SBB040467 [1,0,0,0,1,0|1,0,0]=3 378 B6R1.2 NC1CCNC1 SBB003982 [1,0,0,0,1,0|2,0,0]=4 379 B6R1.2 NN1CCCC1 SBB066760 [1,0,0,0,1,0|2,0,0]=4 380 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,0,1,0|0,0,0]=2 381 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,0,1,0|1,0,0]=3 382 B6R1.2 O=C1CCNN1 SBB007977 [1,0,0,0,1,0|2,0,0]=4 383 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,0,1,0|1,0,0]=3 384 B6R1.2 OC1CCNC1 SBB056152 [1,0,0,0,1,0|2,0,0]=4 385 B6R1.2 O[C@H]1CCNC1 SBB004272 [1,0,0,0,1,0|2,0,0]=4 386 B6R1.2 O[C@H]1CCNC1 SBB027336 [1,0,0,0,1,0|2,0,0]=4 387 B6R1.2 O[C@H]1CCOC1 SBB062959 [1,0,0,0,1,0|2,0,0]=4 388 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,0,1,0,0,1|0,0,0]=2 389 B8R0.28 CC(C)=CCCC(C)O SBB008067 [0,0,1,0,0,1|2,0,0]=4 390 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,0,1,0,0,1|1,0,0]=3 391 B8R0.28 CC(C)CNCC(C)C SBB058770 [0,0,1,0,0,1|1,0,1]=4 392 B8R0.28 CC(C)COCC(C)C SBB061320 [0,0,1,0,0,1|1,0,1]=4 393 B8R0.28 CC(C)COCC(C)O SBB061009 [0,0,1,0,0,1|0,0,2]=4 394 B8R0.28 CC(C)CSCC(C)C SBB061180 [0,0,1,0,0,1|1,0,1]=4 395 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,0,1,0,0,1|2,0,0]=4 396 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,0,1,0,0,1|2,0,0]=4