0 B10R1.66 C1CC(OC1)CNC(=S)N T161720 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.66 C1CCC(C1)CCC(=O)Cl C102472 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 C1CCC(C1)CCC(=O)O W132385 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.66 CC(=O)OCC1=CC=CO1 F116599 [0,0,0,0,0,0|0,0,4]=4 4 B10R1.66 CC(=O)OCC1CCCO1 T161761 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.25 C=CC(=O)OCC1CCCO1 T102693 [0,1,0,0,0,0|0,0,1]=2 6 B11R1.25 C=CC(=O)OCC1CCCO1 T616661 [0,1,0,0,0,0|0,0,1]=2 7 B11R1.25 CCC(=O)OCC1CCCO1 T161755 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.25 COC(=O)CNC1CCCC1 M191861 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.35 C1CCC(C1)CC(C(=O)O)N C188895 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.2 C(CCCBr)CCC(=O)O B138642 [0,0,1,0,0,0|3,0,0]=4 11 B9R0.2 C(CCCN)CCC(=O)O A151309 [0,0,1,0,0,0|3,0,0]=4 12 B9R0.2 C(CCCN)CCC(=O)O A334272 [0,0,1,0,0,0|3,0,0]=4 13 B9R0.2 C(CCCO)CCC(=O)O H334249 [0,0,1,0,0,0|2,0,0]=3 14 B9R0.2 C(CCCO)CCC(=O)[O-] H333362 [0,0,1,0,0,0|2,0,0]=3 15 B9R0.2 CC(=O)NCCCCCN N159177 [0,0,1,0,0,0|2,0,0]=3 16 B9R0.2 CC(=O)NCCCCCN N423313 [0,0,1,0,0,0|2,0,0]=3 17 B9R0.2 CC(=O)OCCCCC=C H157305 [0,0,1,0,0,0|1,0,1]=3 18 B9R0.2 CC(=O)OCCCCCBr B152865 [0,0,1,0,0,0|1,0,0]=2 19 B9R0.2 CC(C)NCCCCCO I157485 [0,0,1,0,0,0|2,0,1]=4 20 B9R0.2 CCC=CCCOC(=O)C H101224 [0,0,1,0,0,0|1,0,1]=3 21 B9R0.2 CCCC=CCOC(=O)C H117236 [0,0,1,0,0,0|1,0,1]=3 22 B9R0.2 CCCCCC=CC(=O)C N302867 [0,0,1,0,0,0|2,0,1]=4 23 B9R0.2 CCCCCCCC(=O)C N105585 [0,0,1,0,0,0|2,0,0]=3 24 B9R0.2 CCCCCCCC(=O)Cl O101697 [0,0,1,0,0,0|3,0,0]=4 25 B9R0.2 CCCCCCCC(=O)N N159412 [0,0,1,0,0,0|3,0,0]=4 26 B9R0.2 CCCCCCCC(=O)O N421038 [0,0,1,0,0,0|3,0,0]=4 27 B9R0.2 CCCCCCCC(=O)O O108276 [0,0,1,0,0,0|3,0,0]=4 28 B9R0.2 CCCCCCCC(=O)O O108277 [0,0,1,0,0,0|3,0,0]=4 29 B9R0.2 CCCCCCCC(=O)O O108278 [0,0,1,0,0,0|3,0,0]=4 30 B9R0.2 CCCCCCCC(=O)O O108279 [0,0,1,0,0,0|3,0,0]=4 31 B9R0.2 CCCCCCCC(=O)O O431649 [0,0,1,0,0,0|3,0,0]=4 32 B9R0.2 CCCCCCCC(=O)O R113304 [0,0,1,0,0,0|3,0,0]=4 33 B9R0.2 CCCCCCCC(=O)[O-] L340331 [0,0,1,0,0,0|3,0,0]=4 34 B9R0.2 CCCCCCCC(=O)[O-] S113206 [0,0,1,0,0,0|3,0,0]=4 35 B9R0.2 CCCCCCCC(=O)[O-] S117847 [0,0,1,0,0,0|3,0,0]=4 36 B9R0.2 CCCCCCCC(=O)[O-] S491233 [0,0,1,0,0,0|3,0,0]=4 37 B9R0.2 CCCCCCOC(=O)C H111061 [0,0,1,0,0,0|1,0,0]=2 38 B9R0.2 CCCCCCOC(=O)C H111062 [0,0,1,0,0,0|1,0,0]=2 39 B9R0.2 CCCCCCOC(=O)C H111063 [0,0,1,0,0,0|1,0,0]=2 40 B9R0.2 CCCCCCOC(=O)Cl H139072 [0,0,1,0,0,0|2,0,0]=3 41 B9R0.2 CN(C)CCCCCCO D133261 [0,0,1,0,0,0|3,0,0]=4 42 B9R0.43 CCC(CC)COC(=O)C E156156 [0,0,1,0,0,0|1,0,0]=2 43 B9R0.43 CCC(COC(=O)C)OC M158006 [0,0,1,0,0,0|0,0,0]=1 44 B9R0.48 CCOC(=O)CCC(=O)C E117674 [0,0,1,0,0,0|2,0,1]=4 45 B9R0.48 CCOC(=O)CNC(=O)C A109217 [0,0,1,0,0,0|2,0,1]=4 46 B11R2.392 C1CC2COS(=O)(=O)N2C1 S166975 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.845 C1CC2CC1CC2C(=O)O B590261 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.845 CC(=O)C1CC2CC1C=C2 V100755 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.13 C1CC(C=C1)CC(=O)O C167097 [0,0,0,0,1,0|2,0,1]=4 50 B9R1.13 C1CC(NC1)CC(=O)O L465252 [0,0,0,0,1,0|2,0,0]=3 51 B9R1.13 C1CC(OC1)CC(=O)O T354856 [0,0,0,0,1,0|1,0,0]=2 52 B9R1.13 C1CCC(C1)CC(=O)O C113786 [0,0,0,0,1,0|2,0,0]=3 53 B9R1.13 C1CCC(C1)OC(=O)Cl C184850 [0,0,0,0,1,0|2,0,0]=3 54 B9R1.13 C1CCC(C1)OC(=O)Cl C299675 [0,0,0,0,1,0|2,0,0]=3 55 B9R1.13 C1CCN(C1)CC(=O)O P345179 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.13 CC(=O)NC1CCNC1 A405598 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.13 CC(=O)NC1CCNC1 N172909 [0,0,0,0,1,0|3,0,0]=4 58 B9R1.13 CC(=O)NC1CCNC1 R160861 [0,0,0,0,1,0|3,0,0]=4 59 B11R1.91 C1CCC(CC1)CCC(=O)O C106974 [0,0,0,0,0,1|3,0,0]=4 60 B8R0.4 C=CCCCCCCO O159908 [1,0,1,0,0,0|1,0,1]=4 61 B8R0.4 C=COCCOCCO D155145 [1,0,1,0,0,0|1,0,1]=4 62 B8R0.4 CCC=CCCOC=O H117494 [1,0,1,0,0,0|1,0,1]=4 63 B8R0.4 CCCCCCCC=O O106930 [1,0,1,0,0,0|2,0,0]=4 64 B8R0.4 CCCCCCCC=O O106931 [1,0,1,0,0,0|2,0,0]=4 65 B8R0.4 CCCCCCCC=O O345608 [1,0,1,0,0,0|2,0,0]=4 66 B8R0.4 CCCCCCCCO O103324 [1,0,1,0,0,0|1,0,1]=4 67 B8R0.4 CCCCCCCCO O103325 [1,0,1,0,0,0|1,0,1]=4 68 B8R0.4 CCCCCCCCO O103326 [1,0,1,0,0,0|1,0,1]=4 69 B8R0.4 CCCCCCCCO O119018 [1,0,1,0,0,0|1,0,1]=4 70 B8R0.4 CCCCCCCCO O119679 [1,0,1,0,0,0|1,0,1]=4 71 B8R0.4 CCCCCCCCO O491594 [1,0,1,0,0,0|1,0,1]=4 72 B8R0.4 CCCCCCOC=O H113684 [1,0,1,0,0,0|1,0,0]=3 73 B8R0.4 CCCCCCON=O H157340 [1,0,1,0,0,0|2,0,0]=4 74 B8R0.4 CCOCCOCCO D104410 [1,0,1,0,0,0|1,0,1]=4 75 B8R0.4 CCOCCOCCO D104411 [1,0,1,0,0,0|1,0,1]=4 76 B8R0.4 CCOCCOCCO D104412 [1,0,1,0,0,0|1,0,1]=4 77 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [1,0,1,0,0,0|2,0,0]=4 78 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [1,0,1,0,0,0|2,0,0]=4 79 B8R0.7 C(CCC(=O)N)CCBr B185341 [1,0,1,0,0,0|2,0,0]=4 80 B8R0.7 C(CCC(=O)O)CCBr B104555 [1,0,1,0,0,0|2,0,0]=4 81 B8R0.7 C(CCC(=O)O)CCCl C121729 [1,0,1,0,0,0|2,0,0]=4 82 B8R0.7 C(CCC(=O)O)CCN A306000 [1,0,1,0,0,0|2,0,0]=4 83 B8R0.7 C(CCC(=O)O)CCN A433060 [1,0,1,0,0,0|2,0,0]=4 84 B8R0.7 C(CCC(=O)O)CCO H302536 [1,0,1,0,0,0|1,0,0]=3 85 B8R0.7 C(CCC(=O)O)CCS M292991 [1,0,1,0,0,0|1,1,0]=4 86 B8R0.7 C(CCC(=O)O)CCS M345400 [1,0,1,0,0,0|1,1,0]=4 87 B8R0.7 C(CCC(=O)[O-])CCO P192074 [1,0,1,0,0,0|1,0,0]=3 88 B8R0.7 C(COCCN)C(=O)O A412738 [1,0,1,0,0,0|2,0,0]=4 89 B8R0.7 CC(=O)NCCCCN I168071 [1,0,1,0,0,0|2,0,0]=4 90 B8R0.7 CC(=O)NCCCCN N159176 [1,0,1,0,0,0|2,0,0]=4 91 B8R0.7 CC(=O)OCCCC=C P160540 [1,0,1,0,0,0|0,0,2]=4 92 B8R0.7 CC(=O)OCCCCBr B136623 [1,0,1,0,0,0|1,0,0]=3 93 B8R0.7 CC(=O)OCCCCCl C133987 [1,0,1,0,0,0|1,0,0]=3 94 B8R0.7 CC(=O)OCCCCI I476998 [1,0,1,0,0,0|1,0,0]=3 95 B8R0.7 CC(=O)OCCCSC M157982 [1,0,1,0,0,0|1,0,0]=3 96 B8R0.7 CCCCC=CC(=O)C O100829 [1,0,1,0,0,0|1,0,1]=4 97 B8R0.7 CCCCCCC(=O)C O111186 [1,0,1,0,0,0|1,0,0]=3 98 B8R0.7 CCCCCCC(=O)C O111187 [1,0,1,0,0,0|1,0,0]=3 99 B8R0.7 CCCCCCC(=O)Cl H102418 [1,0,1,0,0,0|2,0,0]=4 100 B8R0.7 CCCCCCC(=O)O H103518 [1,0,1,0,0,0|2,0,0]=4 101 B8R0.7 CCCCCCC(=O)O H103519 [1,0,1,0,0,0|2,0,0]=4 102 B8R0.7 CCCCCCC(=O)O H103520 [1,0,1,0,0,0|2,0,0]=4 103 B8R0.7 CCCCCCC(=O)O H431469 [1,0,1,0,0,0|2,0,0]=4 104 B8R0.7 CCCCCCC(=O)[O-] S161315 [1,0,1,0,0,0|2,0,0]=4 105 B8R0.7 CCCCCOC(=O)C A103450 [1,0,1,0,0,0|0,0,0]=2 106 B8R0.7 CCCCCOC(=O)C A103451 [1,0,1,0,0,0|0,0,0]=2 107 B8R0.7 CCCCCOC(=O)C A103452 [1,0,1,0,0,0|0,0,0]=2 108 B8R0.7 CCCCCOC(=O)Cl A139129 [1,0,1,0,0,0|1,0,0]=3 109 B8R0.7 CCCCCOC(=S)[S-] P160308 [1,0,1,0,0,0|1,1,0]=4 110 B8R0.7 CCCCCO[N+](=O)[O-] A165297 [1,0,1,0,0,0|2,0,0]=4 111 B8R0.7 CCOCCOC(=O)C E105181 [1,0,1,0,0,0|0,0,0]=2 112 B8R0.7 CCOCCOC(=O)C E105183 [1,0,1,0,0,0|0,0,0]=2 113 B8R0.7 CCOCCOC(=O)C E105184 [1,0,1,0,0,0|0,0,0]=2 114 B8R0.9 CC(=O)OCC(CO)O M158754 [1,0,1,0,0,0|1,0,0]=3 115 B8R0.9 CCC(C)CCC(=O)O M138303 [1,0,1,0,0,0|2,0,0]=4 116 B8R0.9 CCC(C)COC(=O)C M111920 [1,0,1,0,0,0|0,0,0]=2 117 B8R0.1 CCCC(C)COC=O M158009 [1,0,1,0,0,0|1,0,0]=3 118 B8R0.1 CCCCC(CCC)O O159906 [1,0,1,0,0,0|1,0,1]=4 119 B8R1.8 C1CC(OC1)CC#N T161719 [2,0,0,0,0,0|1,0,1]=4 120 B8R1.8 C=CCC1CCCC1 A332839 [2,0,0,0,0,0|1,0,1]=4 121 B8R1.8 CNCC1OCCO1 M349963 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.8 COCC1CCCN1 M121135 [2,0,0,0,0,0|1,0,0]=3 123 B8R1.8 COCC1CCCN1 M121139 [2,0,0,0,0,0|1,0,0]=3 124 B10R0.3 CC(CCC=C(C)C)CCO C102066 [0,1,1,0,0,0|2,0,0]=4 125 B10R0.3 CC(CCC=C(C)C)CCO C102068 [0,1,1,0,0,0|2,0,0]=4 126 B10R0.3 CC(CCC=C(C)C)CCO C111343 [0,1,1,0,0,0|2,0,0]=4 127 B10R0.3 CC(CCCC(=C)C)CCO R485524 [0,1,1,0,0,0|2,0,0]=4 128 B10R0.3 CCCC(CCOC(=O)C)S M158207 [0,1,1,0,0,0|1,0,0]=3 129 B10R0.4 C(CCCC(=O)O)CCCO H473772 [0,1,1,0,0,0|2,0,0]=4 130 B10R0.4 C(COCCOCC(=O)O)N A405690 [0,1,1,0,0,0|2,0,0]=4 131 B10R0.4 CCCCCCC=CC(=O)C D154240 [0,1,1,0,0,0|2,0,0]=4 132 B10R0.4 CCCCCCCCC(=O)C D139185 [0,1,1,0,0,0|2,0,0]=4 133 B10R0.4 CCCCCCCCC(=O)C D139186 [0,1,1,0,0,0|2,0,0]=4 134 B10R0.4 CCCCCCCCC(=O)C D464910 [0,1,1,0,0,0|2,0,0]=4 135 B10R0.4 CCCCCCCOC(=O)C H157248 [0,1,1,0,0,0|1,0,0]=3 136 B10R0.4 CCCCCCCOC(=O)Cl H156985 [0,1,1,0,0,0|2,0,0]=4 137 B10R0.4 CCCCOCCOC(=O)C B111057 [0,1,1,0,0,0|0,0,0]=2 138 B10R0.22 CCCCCCOS(=O)(=O)C H157015 [0,1,1,0,0,0|2,0,0]=4 139 B10R0.74 CCC=CCCOC(=O)CC H117504 [0,1,1,0,0,0|1,0,1]=4 140 B10R0.74 CCCC=CCOC(=O)CC T161809 [0,1,1,0,0,0|1,0,1]=4 141 B10R0.74 CCCCCCCC(=O)CC D154228 [0,1,1,0,0,0|2,0,0]=4 142 B10R0.74 CCCCCCCC(=O)OC M158053 [0,1,1,0,0,0|2,0,0]=4 143 B10R0.74 CCCCCCCC(=O)OC M158158 [0,1,1,0,0,0|2,0,0]=4 144 B10R0.74 CCCCCCOC(=O)C=C H156906 [0,1,1,0,0,0|1,0,1]=4 145 B10R0.74 CCCCCCOC(=O)CC H157249 [0,1,1,0,0,0|1,0,0]=3 146 B10R0.74 COC(=O)CCCCCCBr M303935 [0,1,1,0,0,0|2,0,0]=4 147 B10R0.74 COC(=O)CCCCCCN M191642 [0,1,1,0,0,0|2,0,0]=4 148 B10R0.78 CCCOC(=O)CCC(=O)C P404929 [0,1,1,0,0,0|1,0,1]=4 149 B10R0.97 CC(=O)CCCCCC(=O)O O472248 [0,1,1,0,0,0|1,0,1]=4 150 B10R0.96 CC(COC(=O)C)OC(=O)C D155571 [0,1,1,0,0,0|0,0,1]=3 151 B10R1.21 C1CC(OC1)COCCO T121212 [1,1,0,0,0,0|0,0,1]=3 152 B10R1.23 C1CCC(C1)C(C(=O)O)N L133201 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.54 C1C(CNC1CC(=O)O)O L344985 [0,1,0,0,1,0|2,0,0]=4 154 B10R1.54 CC(=O)OC1CC(C=C1)O R176918 [0,1,0,0,1,0|1,0,1]=4 155 B10R1.64 C1CC(C(=O)C1)CC(=O)O O167346 [0,1,0,0,1,0|2,0,0]=4 156 B12R1.264 CC(=C)C(=O)OCC1CCCO1 T118371 [0,1,0,0,0,1|1,0,0]=3 157 B12R1.51 C1CC(OC1)CNC(=O)CC#N C353902 [0,2,0,0,0,0|1,0,0]=3 158 B12R1.51 CCCC(=O)OCC1CCCO1 T161754 [0,2,0,0,0,0|0,0,0]=2 159 B10R1.18 CC(=O)CC1CCCCC1 C478562 [0,0,1,1,0,0|2,0,0]=4 160 B10R1.18 CC(=O)NC1CCCNC1 A151172 [0,0,1,1,0,0|2,0,0]=4 161 B10R1.18 CC(=O)OC1CCCCC1 C153425 [0,0,1,1,0,0|1,0,0]=3 162 B10R1.61 C1CCC(C(C1)C(=O)O)O H157379 [0,0,1,1,0,0|2,0,0]=4 163 B10R1.78 C1CCCC(=O)NCCC1 O159932 [0,0,1,1,0,0|2,0,0]=4 164 B10R1.1 CCCC1CCC(=O)CC1 P115524 [0,0,1,1,0,0|2,0,0]=4 165 B10R1.113 C1CC(CC(C1)O)C(=O)O H157380 [0,0,1,1,0,0|2,0,0]=4 166 B10R1.113 CC1CCCN(C1)C(=O)C A474323 [0,0,1,1,0,0|2,0,0]=4 167 B10R2.178 C1CC(=O)C2OCC1O2 C478499 [1,0,0,1,0,0|2,0,0]=4 168 B10R2.71 C1CC2CC(=O)CC1N2 N119961 [0,0,0,1,1,0|1,0,0]=3 169 B12R2.24 C1CCC2CC(=O)CCC2C1 B301259 [0,0,0,1,0,1|2,0,0]=4 170 B12R2.1392 CC(=O)C1CC2CCC1CC2 B192220 [0,0,0,1,0,1|2,0,0]=4 171 B12R2.2918 C1CCC2(CC1)CC(=O)NC2 P160364 [0,0,0,1,0,1|2,0,0]=4 172 B12R2.2918 C1CNCCC12CC(=O)NC2 D176799 [0,0,0,1,0,1|2,0,0]=4 173 B12R2.1661 CC(=O)OC1CC2CC1C=C2 N101935 [0,0,0,1,0,1|1,0,1]=4 174 B12R2.1175 C1CC2(CCC1=O)OCCO2 D106973 [0,1,0,1,0,0|2,0,0]=4 175 B8R0.16 CC(=O)CC(OC)OC D100739 [0,0,1,0,1,0|1,0,0]=3 176 B8R0.16 CC(=O)CC(OC)OC D498461 [0,0,1,0,1,0|1,0,0]=3 177 B8R0.16 CCN(CC)CC(=O)C D167701 [0,0,1,0,1,0|2,0,0]=4 178 B8R0.5 CC(COC)OC(=O)C P106790 [0,0,1,0,1,0|2,0,0]=4 179 B8R0.5 CC(COC)OC(=O)C P299435 [0,0,1,0,1,0|2,0,0]=4 180 B8R0.5 CCCC(C)CC(=C)C D155264 [0,0,1,0,1,0|2,0,0]=4 181 B8R0.5 CCOC(=O)CC(=O)C E103937 [0,0,1,0,1,0|1,0,1]=4 182 B8R0.5 CCOC(=O)CC(=O)C E103939 [0,0,1,0,1,0|1,0,1]=4 183 B8R0.5 CCOC(=O)CC(=O)C E474098 [0,0,1,0,1,0|1,0,1]=4 184 B8R1.7 C1CC(NC1)C(=O)N P105976 [0,0,0,0,2,0|2,0,0]=4 185 B8R1.7 C1CC(NC1)C(=O)N P121653 [0,0,0,0,2,0|2,0,0]=4 186 B8R1.7 C1CC(NC1)C(=O)N S136613 [0,0,0,0,2,0|2,0,0]=4 187 B8R1.7 C1CC(NC1)C(=O)O D423511 [0,0,0,0,2,0|2,0,0]=4 188 B8R1.7 C1CC(NC1)C(=O)O L421729 [0,0,0,0,2,0|2,0,0]=4 189 B8R1.7 C1CC(NC1)C(=O)O P105590 [0,0,0,0,2,0|2,0,0]=4 190 B8R1.7 C1CC(NC1)C(=O)O P108709 [0,0,0,0,2,0|2,0,0]=4 191 B8R1.7 C1CC(NC1)C(=O)O P111001 [0,0,0,0,2,0|2,0,0]=4 192 B8R1.7 C1CC(NC1)C(=O)O P120032 [0,0,0,0,2,0|2,0,0]=4 193 B8R1.7 C1CC(NC1)C(=O)O P140375 [0,0,0,0,2,0|2,0,0]=4 194 B8R1.7 C1CC(NC1)C(=O)O P477766 [0,0,0,0,2,0|2,0,0]=4 195 B8R1.7 C1CC(OC1)C(=O)N S469270 [0,0,0,0,2,0|1,0,0]=3 196 B8R1.7 C1CC(OC1)C(=O)O R160850 [0,0,0,0,2,0|1,0,0]=3 197 B8R1.7 C1CC(OC1)C(=O)O S161338 [0,0,0,0,2,0|1,0,0]=3 198 B8R1.7 C1CC(OC1)C(=O)O T161757 [0,0,0,0,2,0|1,0,0]=3 199 B8R1.7 C1CCC(C1)C(=O)Cl C138861 [0,0,0,0,2,0|2,0,0]=4 200 B8R1.7 C1CCC(C1)C(=O)N C357646 [0,0,0,0,2,0|2,0,0]=4 201 B8R1.7 C1CCC(C1)C(=O)O C104489 [0,0,0,0,2,0|2,0,0]=4 202 B8R1.7 CC(=O)C1CCCC1 C194132 [0,0,0,0,2,0|1,0,0]=3 203 B8R1.7 CC(=O)N1CCCC1 A151303 [0,0,0,0,2,0|2,0,0]=4 204 B8R1.35 CC(C)OCC1CO1 G156843 [0,0,0,0,2,0|1,0,1]=4 205 B10R1.17 C1CCC(CC1)CCC=O C479079 [1,0,0,0,0,1|2,0,0]=4