0 B10R1.18 B(CC1CCCCC1)(O)O C335897 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.18 C1CC(CNC1)CC(=O)O P177340 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 C1CCC(CC1)CC(=O)O C153818 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.18 C1CCC(CC1)NC(=O)N C153499 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 C1CCC(CC1)NC(=S)N C153741 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.18 C1CCN(CC1)CC(=O)O D303438 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 C1CCNC(C1)CC(=O)O P168289 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.18 C1COCCN1CC(=O)O M137089 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 C1COCCN1CC(=O)O M192727 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 CC(=O)CC1CCCCC1 C478562 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.18 CC(=O)NC1CCCNC1 A151172 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 CC(=O)NC1CCNCC1 A139032 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.18 CC(=O)OC1CCCCC1 C153425 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 CC(C)CC1CCCCC1 I157550 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.18 CC(C)NC1CCCCC1 N159075 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.18 CC(CN1CCOCC1)O H168534 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.8 C#CCC1CCCCC1 C111193 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.8 C1CCC(CC1)CC#N C589137 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.8 C1CCC(CC1)CCBr B113782 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 C1CCC(CC1)CCN C153966 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 C1CCC(CC1)CCO C153306 [1,0,0,0,0,0|0,0,1]=2 21 B9R1.8 C1CCC(CC1)N=C=S C140271 [1,0,0,0,0,0|1,1,1]=4 22 B9R1.8 C1CCC(CC1)NC=O N159269 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 C1CCC(CC1)OCCl C153433 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 C1CCN(CC1)CC#N C153872 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 C1CCN(CC1)CCCl C113518 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 C1CCN(CC1)CCN A113914 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 C1CCN(CC1)CCN P189302 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 C1CCN(CC1)CCO H113280 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 C1CCNC(C1)CCO P160104 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.8 C1CCNC(C1)CCO R195067 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.8 C1CCNC(C1)CCO S186630 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.8 C1CCNC(C1)CCO S189442 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.8 C1CN(CCN1)CCO H101744 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 C1CNCCC1CCO P121582 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.8 C1CNCCC1CCO P590668 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.8 C1COCCC1CCN A184236 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 C1COCCC1CCN A482649 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 C1COCCN1CCO H100457 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 C=CCC1CCCCC1 A151092 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.8 C=CCN1CCNCC1 A167179 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 C=CCN1CCOCC1 A151028 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 C=COC1CCCCC1 C135586 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 CCCC1CCCCC1 P160285 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 CCNC1CCCCC1 E124549 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 COCC1CCNCC1 M176390 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 COCC1CCNCC1 M195826 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.20 C1CC(=O)CCC1CC(=O)O O589355 [0,1,0,0,0,0|0,0,1]=2 48 B11R1.20 C1CC(CCC1CC(=O)O)O H404576 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.20 CC(=O)NC1CCC(=O)CC1 A103054 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.20 CC(=O)NC1CCC(CC1)O A151058 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.20 CN1CCN(CC1)CC(=O)O M193870 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.36 C1CCC(CC1)C(=O)C(=O)O C176484 [0,1,0,0,0,0|0,0,1]=2 53 B11R1.36 C1CCC(CC1)C(C(=O)O)N C115877 [0,1,0,0,0,0|0,0,0]=1 54 B11R1.36 C1CCC(CC1)C(C(=O)O)N C119123 [0,1,0,0,0,0|0,0,0]=1 55 B11R1.36 C1CCC(CC1)C(C(=O)O)O C348615 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.36 CC(C1CCCCC1)C(=O)O C589625 [0,1,0,0,0,0|0,0,0]=1 57 B11R1.40 C1CCC(CC1)NC(=S)NN C478831 [0,1,0,0,0,0|2,1,0]=4 58 B11R1.40 C=CC(=O)OC1CCCCC1 C154000 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.40 COC(=O)CC1CCCCC1 M133230 [0,1,0,0,0,0|0,0,0]=1 60 B11R1.40 COC(=O)CC1CCCCC1 M491852 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.40 COC(=O)CC1CCNCC1 M121568 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.509 C1CCC(CC1)NS(=O)(=O)O C129435 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.509 C1CCC(CC1)NS(=O)(=O)[O-] S109885 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.509 C1CCC(CC1)NS(=O)(=O)[O-] S109886 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.928 C1CCC(CC1)(CC(=O)O)N A169998 [0,1,0,0,0,0|0,0,0]=1 66 B9R0.2 C#CCCCCCC(=O)O O491862 [0,0,1,0,0,0|0,0,2]=3 67 B9R0.2 C(CCCBr)CCC(=O)O B138642 [0,0,1,0,0,0|1,0,0]=2 68 B9R0.2 C(CCCN)CCC(=O)O A151309 [0,0,1,0,0,0|1,0,0]=2 69 B9R0.2 C(CCCN)CCC(=O)O A334272 [0,0,1,0,0,0|1,0,0]=2 70 B9R0.2 C(CCCO)CCC(=O)O H334249 [0,0,1,0,0,0|1,0,0]=2 71 B9R0.2 C(CCCO)CCC(=O)[O-] H333362 [0,0,1,0,0,0|1,0,1]=3 72 B9R0.2 C(CCN=[N+]=[N-])CC(=O)O A151193 [0,0,1,0,0,0|3,0,0]=4 73 B9R0.2 C=CCCCCCC(=O)O O168152 [0,0,1,0,0,0|0,0,2]=3 74 B9R0.2 CC(=O)NCCCCCN N159177 [0,0,1,0,0,0|3,0,0]=4 75 B9R0.2 CC(=O)NCCCCCN N423313 [0,0,1,0,0,0|3,0,0]=4 76 B9R0.2 CC(=O)OCCCCCBr B152865 [0,0,1,0,0,0|3,0,0]=4 77 B9R0.2 CCCCCC#CC(=O)O B301308 [0,0,1,0,0,0|0,0,2]=3 78 B9R0.2 CCCCCC=CC(=O)C N302867 [0,0,1,0,0,0|1,0,2]=4 79 B9R0.2 CCCCCC=CC(=O)O T162199 [0,0,1,0,0,0|0,0,2]=3 80 B9R0.2 CCCCCC=CC(=O)O T422289 [0,0,1,0,0,0|0,0,2]=3 81 B9R0.2 CCCCCCCC(=O)C N105585 [0,0,1,0,0,0|1,0,0]=2 82 B9R0.2 CCCCCCCC(=O)Cl O101697 [0,0,1,0,0,0|1,0,0]=2 83 B9R0.2 CCCCCCCC(=O)N N159412 [0,0,1,0,0,0|1,0,0]=2 84 B9R0.2 CCCCCCCC(=O)O N421038 [0,0,1,0,0,0|0,0,0]=1 85 B9R0.2 CCCCCCCC(=O)O O108276 [0,0,1,0,0,0|0,0,0]=1 86 B9R0.2 CCCCCCCC(=O)O O108277 [0,0,1,0,0,0|0,0,0]=1 87 B9R0.2 CCCCCCCC(=O)O O108278 [0,0,1,0,0,0|0,0,0]=1 88 B9R0.2 CCCCCCCC(=O)O O108279 [0,0,1,0,0,0|0,0,0]=1 89 B9R0.2 CCCCCCCC(=O)O O431649 [0,0,1,0,0,0|0,0,0]=1 90 B9R0.2 CCCCCCCC(=O)O R113304 [0,0,1,0,0,0|0,0,0]=1 91 B9R0.2 CCCCCCCC(=O)[O-] L340331 [0,0,1,0,0,0|0,0,1]=2 92 B9R0.2 CCCCCCCC(=O)[O-] S113206 [0,0,1,0,0,0|0,0,1]=2 93 B9R0.2 CCCCCCCC(=O)[O-] S117847 [0,0,1,0,0,0|0,0,1]=2 94 B9R0.2 CCCCCCCC(=O)[O-] S491233 [0,0,1,0,0,0|0,0,1]=2 95 B9R0.2 CCCCCCCC(C)C M158518 [0,0,1,0,0,0|2,0,1]=4 96 B9R0.2 CCCCCCCC(C)C M406711 [0,0,1,0,0,0|2,0,1]=4 97 B9R0.2 CCCCCCCC(C)O N159697 [0,0,1,0,0,0|1,0,1]=3 98 B9R0.2 CCCCCCCC(C)O N298586 [0,0,1,0,0,0|1,0,1]=3 99 B9R0.2 CCCCCCOC(=O)C H111061 [0,0,1,0,0,0|2,0,0]=3 100 B9R0.2 CCCCCCOC(=O)C H111062 [0,0,1,0,0,0|2,0,0]=3 101 B9R0.2 CCCCCCOC(=O)C H111063 [0,0,1,0,0,0|2,0,0]=3 102 B9R0.2 CCCCCCOC(=O)Cl H139072 [0,0,1,0,0,0|2,0,0]=3 103 B9R0.2 COCCCCCC(=O)O M170253 [0,0,1,0,0,0|1,0,0]=2 104 B9R0.4 CCCCC(CC(=O)O)N A165644 [0,0,1,0,0,0|1,0,0]=2 105 B11R2.10 C1CCC2C(C1)NC(=O)N2 C341579 [0,0,0,1,0,0|2,0,0]=3 106 B11R2.10 C1CCC2C(C1)NC(=S)N2 O357074 [0,0,0,1,0,0|2,1,0]=4 107 B11R2.703 C1CNCCC12CC(=O)C2 A173831 [0,0,0,1,0,0|2,0,0]=3 108 B11R2.703 C1CNCCC12CC(C2)O A176872 [0,0,0,1,0,0|2,0,1]=4 109 B9R1.6 B(C1CCCCC1)(O)O C120310 [0,0,0,0,1,0|1,0,1]=3 110 B9R1.6 C1CC(CC=C1)C(=O)O C102409 [0,0,0,0,1,0|0,0,2]=3 111 B9R1.6 C1CC(CC=C1)C(=O)O R176823 [0,0,0,0,1,0|0,0,2]=3 112 B9R1.6 C1CC(CC=C1)C(=O)O S161048 [0,0,0,0,1,0|0,0,2]=3 113 B9R1.6 C1CC(CNC1)C(=O)N P121557 [0,0,0,0,1,0|2,0,0]=3 114 B9R1.6 C1CC(CNC1)C(=O)O P113283 [0,0,0,0,1,0|1,0,0]=2 115 B9R1.6 C1CC(CNC1)C(=O)O P119071 [0,0,0,0,1,0|1,0,0]=2 116 B9R1.6 C1CC(CNC1)C(=O)O P119075 [0,0,0,0,1,0|1,0,0]=2 117 B9R1.6 C1CC(CNC1)C(=O)O R195578 [0,0,0,0,1,0|1,0,0]=2 118 B9R1.6 C1CCC(=CC1)C(=O)O C106976 [0,0,0,0,1,0|0,0,2]=3 119 B9R1.6 C1CCC(CC1)C(=O)Cl B115115 [0,0,0,0,1,0|1,0,0]=2 120 B9R1.6 C1CCC(CC1)C(=O)N C131942 [0,0,0,0,1,0|1,0,0]=2 121 B9R1.6 C1CCC(CC1)C(=O)O C110756 [0,0,0,0,1,0|0,0,0]=1 122 B9R1.6 C1CCN(CC1)C(=O)Cl P468726 [0,0,0,0,1,0|2,0,0]=3 123 B9R1.6 C1CCN(CC1)C(=S)N P299899 [0,0,0,0,1,0|2,1,0]=4 124 B9R1.6 C1CCNC(C1)C(=O)N P160119 [0,0,0,0,1,0|2,0,0]=3 125 B9R1.6 C1CCNC(C1)C(=O)O D331240 [0,0,0,0,1,0|1,0,0]=2 126 B9R1.6 C1CCNC(C1)C(=O)O D358401 [0,0,0,0,1,0|1,0,0]=2 127 B9R1.6 C1CCNC(C1)C(=O)O D424577 [0,0,0,0,1,0|1,0,0]=2 128 B9R1.6 C1CCNC(C1)C(=O)O H100528 [0,0,0,0,1,0|1,0,0]=2 129 B9R1.6 C1CCNC(C1)C(=O)O P101393 [0,0,0,0,1,0|1,0,0]=2 130 B9R1.6 C1CCNC(C1)C(=O)O P106214 [0,0,0,0,1,0|1,0,0]=2 131 B9R1.6 C1CCNC(C1)C(=O)O S136371 [0,0,0,0,1,0|1,0,0]=2 132 B9R1.6 C1CCNC(C1)C(=O)O S192036 [0,0,0,0,1,0|1,0,0]=2 133 B9R1.6 C1CNC(CN1)C(=O)O P119067 [0,0,0,0,1,0|2,0,0]=3 134 B9R1.6 C1CNC(CN1)C(=O)O P119070 [0,0,0,0,1,0|2,0,0]=3 135 B9R1.6 C1CNC(CN1)C(=O)O P124229 [0,0,0,0,1,0|2,0,0]=3 136 B9R1.6 C1CNC(CN1)C(=O)O P124230 [0,0,0,0,1,0|2,0,0]=3 137 B9R1.6 C1CNCC(=C1)C(=O)O G579450 [0,0,0,0,1,0|1,0,2]=4 138 B9R1.6 C1CNCCC1C(=O)N P122896 [0,0,0,0,1,0|2,0,0]=3 139 B9R1.6 C1CNCCC1C(=O)O I109586 [0,0,0,0,1,0|1,0,0]=2 140 B9R1.6 C1COC(CO1)C(=O)O D187857 [0,0,0,0,1,0|2,0,0]=3 141 B9R1.6 C1COC(CO1)C(=O)O S587772 [0,0,0,0,1,0|2,0,0]=3 142 B9R1.6 C1COCC(N1)C(=O)O M194498 [0,0,0,0,1,0|2,0,0]=3 143 B9R1.6 C1COCCC1C(=O)Cl T170160 [0,0,0,0,1,0|2,0,0]=3 144 B9R1.6 C1COCCC1C(=O)O T161847 [0,0,0,0,1,0|1,0,0]=2 145 B9R1.6 C1COCCC1S(=O)[O-] S486732 [0,0,0,0,1,0|2,0,1]=4 146 B9R1.6 C1COCCN1C(=O)Cl M157857 [0,0,0,0,1,0|3,0,0]=4 147 B9R1.6 C1CSCCC1C(=O)O T178063 [0,0,0,0,1,0|1,0,0]=2 148 B9R1.6 CC(=O)C1CCCCC1 C139296 [0,0,0,0,1,0|1,0,0]=2 149 B9R1.6 CC(=O)N1CCCCC1 A151604 [0,0,0,0,1,0|2,0,0]=3 150 B9R1.6 CC(=O)N1CCNCC1 A111059 [0,0,0,0,1,0|3,0,0]=4 151 B9R1.6 CC(=O)N1CCOCC1 A112972 [0,0,0,0,1,0|3,0,0]=4 152 B9R1.6 CC(C)C1CCCCC1 I157551 [0,0,0,0,1,0|2,0,1]=4 153 B9R1.6 CC(C1CCCCC1)N R160854 [0,0,0,0,1,0|2,0,1]=4 154 B9R1.6 CC(C1CCCCC1)N S161320 [0,0,0,0,1,0|2,0,1]=4 155 B9R1.6 CC(C1CCCCC1)O C166344 [0,0,0,0,1,0|1,0,1]=3 156 B9R1.6 CN(C)C1CCCCC1 D103895 [0,0,0,0,1,0|3,0,0]=4 157 B9R1.13 C1CC(C=C1)CC(=O)O C167097 [0,0,0,0,1,0|0,0,2]=3 158 B9R1.13 C1CC(NC1)CC(=O)O L465252 [0,0,0,0,1,0|1,0,0]=2 159 B9R1.13 C1CC(OC1)CC(=O)O T354856 [0,0,0,0,1,0|1,0,0]=2 160 B9R1.13 C1CCC(C1)CC(=O)O C113786 [0,0,0,0,1,0|0,0,0]=1 161 B9R1.13 C1CCC(C1)OC(=O)Cl C184850 [0,0,0,0,1,0|2,0,0]=3 162 B9R1.13 C1CCC(C1)OC(=O)Cl C299675 [0,0,0,0,1,0|2,0,0]=3 163 B9R1.13 C1CCN(C1)CC(=O)O P345179 [0,0,0,0,1,0|1,0,0]=2 164 B9R1.13 CC(=O)NC1CCNC1 A405598 [0,0,0,0,1,0|3,0,0]=4 165 B9R1.13 CC(=O)NC1CCNC1 N172909 [0,0,0,0,1,0|3,0,0]=4 166 B9R1.13 CC(=O)NC1CCNC1 R160861 [0,0,0,0,1,0|3,0,0]=4 167 B11R1.91 C1CCC(CC1)C=CC(=O)O E589499 [0,0,0,0,0,1|0,0,1]=2 168 B11R1.91 C1CCC(CC1)CCC(=O)O C106974 [0,0,0,0,0,1|0,0,0]=1 169 B11R1.91 C1CN(CCN1)CCC(=O)O P169191 [0,0,0,0,0,1|2,0,0]=3 170 B11R1.91 C1COCCN1CCC(=O)O M304219 [0,0,0,0,0,1|2,0,0]=3 171 B8R0.4 C(CCCN)CCCO A493194 [1,0,1,0,0,0|1,0,1]=4 172 B8R0.4 C(CCCO)CCCBr B132089 [1,0,1,0,0,0|1,0,1]=4 173 B8R0.4 C(CCCO)CCCO H136447 [1,0,1,0,0,0|1,0,1]=4 174 B8R0.4 C=CCCCCCCBr B134900 [1,0,1,0,0,0|2,0,0]=4 175 B8R0.4 C=CCCCCCCO O159908 [1,0,1,0,0,0|2,0,0]=4 176 B8R0.4 CCCCCC=CC=O O105936 [1,0,1,0,0,0|0,0,2]=4 177 B8R0.4 CCCCCC=CC=O O303154 [1,0,1,0,0,0|0,0,2]=4 178 B8R0.4 CCCCCCCC#C N100831 [1,0,1,0,0,0|1,0,1]=4 179 B8R0.4 CCCCCCCC=C N109555 [1,0,1,0,0,0|1,0,0]=3 180 B8R0.4 CCCCCCCC=C N110481 [1,0,1,0,0,0|1,0,0]=3 181 B8R0.4 CCCCCCCC=O O106930 [1,0,1,0,0,0|0,0,0]=2 182 B8R0.4 CCCCCCCC=O O106931 [1,0,1,0,0,0|0,0,0]=2 183 B8R0.4 CCCCCCCC=O O345608 [1,0,1,0,0,0|0,0,0]=2 184 B8R0.4 CCCCCCCCBr B105260 [1,0,1,0,0,0|1,0,1]=4 185 B8R0.4 CCCCCCCCC N103391 [1,0,1,0,0,0|1,0,1]=4 186 B8R0.4 CCCCCCCCC N103392 [1,0,1,0,0,0|1,0,1]=4 187 B8R0.4 CCCCCCCCC N103393 [1,0,1,0,0,0|1,0,1]=4 188 B8R0.4 CCCCCCCCC N119711 [1,0,1,0,0,0|1,0,1]=4 189 B8R0.4 CCCCCCCCCl C111401 [1,0,1,0,0,0|1,0,1]=4 190 B8R0.4 CCCCCCCCCl C111402 [1,0,1,0,0,0|1,0,1]=4 191 B8R0.4 CCCCCCCCF F170468 [1,0,1,0,0,0|1,0,1]=4 192 B8R0.4 CCCCCCCCI I157580 [1,0,1,0,0,0|1,0,1]=4 193 B8R0.4 CCCCCCCCN N159007 [1,0,1,0,0,0|1,0,1]=4 194 B8R0.4 CCCCCCCCN N159690 [1,0,1,0,0,0|1,0,1]=4 195 B8R0.4 CCCCCCCCN O110545 [1,0,1,0,0,0|1,0,1]=4 196 B8R0.4 CCCCCCCCN O110546 [1,0,1,0,0,0|1,0,1]=4 197 B8R0.4 CCCCCCCCN O491873 [1,0,1,0,0,0|1,0,1]=4 198 B8R0.4 CCCCCCCCN O492190 [1,0,1,0,0,0|1,0,1]=4 199 B8R0.4 CCCCCCCCO O103324 [1,0,1,0,0,0|0,0,1]=3 200 B8R0.4 CCCCCCCCO O103325 [1,0,1,0,0,0|0,0,1]=3 201 B8R0.4 CCCCCCCCO O103326 [1,0,1,0,0,0|0,0,1]=3 202 B8R0.4 CCCCCCCCO O119018 [1,0,1,0,0,0|0,0,1]=3 203 B8R0.4 CCCCCCCCO O119679 [1,0,1,0,0,0|0,0,1]=3 204 B8R0.4 CCCCCCCCO O491594 [1,0,1,0,0,0|0,0,1]=3 205 B8R0.4 CCCCCCCCS O105587 [1,0,1,0,0,0|0,1,1]=4 206 B8R0.4 CCCCCCCC[CH2-] N332405 [1,0,1,0,0,0|1,0,1]=4 207 B8R0.4 CCCCCCCC[NH3+] N290338 [1,0,1,0,0,0|1,0,1]=4 208 B8R0.4 CCCCCCCSC H157103 [1,0,1,0,0,0|2,0,0]=4 209 B8R0.4 CCCCCCN=C=O H157416 [1,0,1,0,0,0|1,0,1]=4 210 B8R0.4 CCCCCCOC=O H113684 [1,0,1,0,0,0|1,0,0]=3 211 B8R0.4 CCCCCCON=O H157340 [1,0,1,0,0,0|2,0,0]=4 212 B8R0.7 B(CCCCCC)(O)O H299977 [1,0,1,0,0,0|1,0,1]=4 213 B8R0.7 C#CCCCCC(=O)O H107741 [1,0,1,0,0,0|0,0,2]=4 214 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [1,0,1,0,0,0|2,0,0]=4 215 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [1,0,1,0,0,0|2,0,0]=4 216 B8R0.7 C(CCC(=O)N)CCBr B185341 [1,0,1,0,0,0|2,0,0]=4 217 B8R0.7 C(CCC(=O)O)CCBr B104555 [1,0,1,0,0,0|1,0,0]=3 218 B8R0.7 C(CCC(=O)O)CCCl C121729 [1,0,1,0,0,0|1,0,0]=3 219 B8R0.7 C(CCC(=O)O)CCN A306000 [1,0,1,0,0,0|1,0,0]=3 220 B8R0.7 C(CCC(=O)O)CCN A433060 [1,0,1,0,0,0|1,0,0]=3 221 B8R0.7 C(CCC(=O)O)CCO H302536 [1,0,1,0,0,0|1,0,0]=3 222 B8R0.7 C(CCC(=O)O)CCS M292991 [1,0,1,0,0,0|1,0,0]=3 223 B8R0.7 C(CCC(=O)O)CCS M345400 [1,0,1,0,0,0|1,0,0]=3 224 B8R0.7 C(CCC(=O)[O-])CCO P192074 [1,0,1,0,0,0|1,0,1]=4 225 B8R0.7 C(CN)CNCC(=O)O N159195 [1,0,1,0,0,0|2,0,0]=4 226 B8R0.7 C(COCCN)C(=O)O A412738 [1,0,1,0,0,0|2,0,0]=4 227 B8R0.7 CCCC=CCC(=O)O H303362 [1,0,1,0,0,0|0,0,2]=4 228 B8R0.7 CCCCC#CC(=O)O H157081 [1,0,1,0,0,0|0,0,2]=4 229 B8R0.7 CCCCC=CC(=O)O H305279 [1,0,1,0,0,0|0,0,2]=4 230 B8R0.7 CCCCCCC(=O)C O111186 [1,0,1,0,0,0|1,0,0]=3 231 B8R0.7 CCCCCCC(=O)C O111187 [1,0,1,0,0,0|1,0,0]=3 232 B8R0.7 CCCCCCC(=O)Cl H102418 [1,0,1,0,0,0|1,0,0]=3 233 B8R0.7 CCCCCCC(=O)O H103518 [1,0,1,0,0,0|0,0,0]=2 234 B8R0.7 CCCCCCC(=O)O H103519 [1,0,1,0,0,0|0,0,0]=2 235 B8R0.7 CCCCCCC(=O)O H103520 [1,0,1,0,0,0|0,0,0]=2 236 B8R0.7 CCCCCCC(=O)O H431469 [1,0,1,0,0,0|0,0,0]=2 237 B8R0.7 CCCCCCC(=O)[O-] S161315 [1,0,1,0,0,0|0,0,1]=3 238 B8R0.7 CCCCCCC(C)O O111525 [1,0,1,0,0,0|1,0,1]=4 239 B8R0.7 CCCCCCC(C)O O111526 [1,0,1,0,0,0|1,0,1]=4 240 B8R0.7 CCCCCCC(C)O O111527 [1,0,1,0,0,0|1,0,1]=4 241 B8R0.7 CCCCCCC(C)O O111528 [1,0,1,0,0,0|1,0,1]=4 242 B8R0.7 CCCCCCC(C)O R160889 [1,0,1,0,0,0|1,0,1]=4 243 B8R0.7 CCCCCCC(C)O S161171 [1,0,1,0,0,0|1,0,1]=4 244 B8R0.7 CCCCCOC(=O)C A103450 [1,0,1,0,0,0|2,0,0]=4 245 B8R0.7 CCCCCOC(=O)C A103451 [1,0,1,0,0,0|2,0,0]=4 246 B8R0.7 CCCCCOC(=O)C A103452 [1,0,1,0,0,0|2,0,0]=4 247 B8R0.7 CCCCCOC(=O)Cl A139129 [1,0,1,0,0,0|2,0,0]=4 248 B8R0.7 CCCCOCC(=O)O B152317 [1,0,1,0,0,0|1,0,0]=3 249 B8R0.7 COCCOCC(=O)O M138320 [1,0,1,0,0,0|2,0,0]=4 250 B8R0.5 CCCC(C)CC(=C)C D155264 [1,0,1,0,0,0|2,0,0]=4 251 B8R0.16 CCN(CC)CC(=O)C D167701 [1,0,1,0,0,0|2,0,0]=4 252 B8R0.16 CCN(CC)CC(=O)[O-] N159199 [1,0,1,0,0,0|1,0,1]=4 253 B8R0.22 CCCC(CC)CCC E156246 [1,0,1,0,0,0|1,0,1]=4 254 B8R0.22 CCCC(CCO)SC M102904 [1,0,1,0,0,0|1,0,1]=4 255 B8R1.2 C#CC1CCCCC1 C334521 [2,0,0,0,0,0|0,0,2]=4 256 B8R1.2 C1CC(CC=C1)C=O C154037 [2,0,0,0,0,0|0,0,2]=4 257 B8R1.2 C1CC(CC=C1)CO C131788 [2,0,0,0,0,0|0,0,2]=4 258 B8R1.2 C1CC(CNC1)CN A151610 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.2 C1CC(CNC1)CO P160105 [2,0,0,0,0,0|1,0,0]=3 260 B8R1.2 C1CC(CNC1)CO S586410 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.2 C1CC(CNC1)CO S587257 [2,0,0,0,0,0|1,0,0]=3 262 B8R1.2 C1CC(COC1)CO O174328 [2,0,0,0,0,0|1,0,0]=3 263 B8R1.2 C1CCC(=CC1)C=O C468613 [2,0,0,0,0,0|0,0,2]=4 264 B8R1.2 C1CCC(=NO)CC1 C109682 [2,0,0,0,0,0|1,0,1]=4 265 B8R1.2 C1CCC(CC1)C#N C194969 [2,0,0,0,0,0|1,0,1]=4 266 B8R1.2 C1CCC(CC1)C=O C109681 [2,0,0,0,0,0|0,0,0]=2 267 B8R1.2 C1CCC(CC1)CBr B121199 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.2 C1CCC(CC1)CN C138894 [2,0,0,0,0,0|1,0,0]=3 269 B8R1.2 C1CCC(CC1)CN C303051 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.2 C1CCC(CC1)CN C493236 [2,0,0,0,0,0|1,0,0]=3 271 B8R1.2 C1CCC(CC1)CO C106975 [2,0,0,0,0,0|0,0,0]=2 272 B8R1.2 C1CCC(CC1)NN C135804 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 C1CCC(CC1)NO I169027 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.2 C1CCN(CC1)C=O F106773 [2,0,0,0,0,0|1,0,0]=3 275 B8R1.2 C1CCNC(C1)CN P132846 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 C1CCNC(C1)CO P124723 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 C1CCOC(C1)CBr B169755 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 C1CCOC(C1)CO T161846 [2,0,0,0,0,0|1,0,0]=3 279 B8R1.2 C1CN(CCN1)C=O F109560 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 C1CN(CCN1)C=O F140420 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 C1CN(CCN1)C=O F165274 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 C1CN(CCN1)C=O F639111 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 C1CNCCC1CN A136022 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 C1CNCCC1CO P113833 [2,0,0,0,0,0|1,0,0]=3 285 B8R1.2 C1COC(CN1)CO M586197 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 C1COC(CO1)CO S193283 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 C1COCC(N1)CO H179128 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 C1COCC(N1)CO M178522 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 C1COCCC1C=O F184847 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.2 C1COCCC1CBr B172996 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 C1COCCC1CN A151618 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 C1COCCC1CN A184237 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 C1COCCC1CO T161848 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.2 C1COCCN1C=O F111002 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 C=CC1CCCCC1 V162939 [2,0,0,0,0,0|0,0,1]=3 296 B8R1.2 CCC1CCCCC1 E108913 [2,0,0,0,0,0|0,0,1]=3 297 B8R1.2 CCC1CCCCC1 E108914 [2,0,0,0,0,0|0,0,1]=3 298 B8R1.2 CCC1CCCCN1 E156420 [2,0,0,0,0,0|1,0,1]=4 299 B8R1.2 CCC1CCCCN1 S467334 [2,0,0,0,0,0|1,0,1]=4 300 B8R1.2 CCC1CCNCC1 E169556 [2,0,0,0,0,0|1,0,1]=4 301 B8R1.2 CCN1CCCCC1 E110307 [2,0,0,0,0,0|1,0,1]=4 302 B8R1.2 CNC1CCCCC1 M124516 [2,0,0,0,0,0|1,0,1]=4 303 B8R1.2 COC1CCCCC1 M158042 [2,0,0,0,0,0|1,0,1]=4 304 B8R1.2 [C-]#[N+]C1CCCCC1 C153258 [2,0,0,0,0,0|1,0,1]=4 305 B10R0.3 CCCC(=O)CCCC(=O)O O303557 [0,1,1,0,0,0|0,0,1]=3 306 B10R0.3 CCCC(CCOC(=O)C)S M158207 [0,1,1,0,0,0|2,0,0]=4 307 B10R0.3 CCOC(=O)CCCC(=O)O M158393 [0,1,1,0,0,0|1,0,1]=4 308 B10R0.4 B(CCCCCCCC)(O)O N404820 [0,1,1,0,0,0|1,0,1]=4 309 B10R0.4 C(CCC(=O)O)CCN=[N+]=[N-] A479506 [0,1,1,0,0,0|2,0,0]=4 310 B10R0.4 C(CCCC(=O)O)CCCBr B135312 [0,1,1,0,0,0|0,0,0]=2 311 B10R0.4 C(CCCC(=O)O)CCCN A165345 [0,1,1,0,0,0|0,0,0]=2 312 B10R0.4 C(CCCC(=O)O)CCCO H473772 [0,1,1,0,0,0|0,0,0]=2 313 B10R0.4 C(COCCOCC(=O)O)N A405690 [0,1,1,0,0,0|2,0,0]=4 314 B10R0.4 C=CCCCCCCC(=O)O N404785 [0,1,1,0,0,0|0,0,1]=3 315 B10R0.4 CCCCCCC=CC(=O)C D154240 [0,1,1,0,0,0|1,0,1]=4 316 B10R0.4 CCCCCCC=CC(=O)O N303594 [0,1,1,0,0,0|0,0,1]=3 317 B10R0.4 CCCCCCCCC(=O)C D139185 [0,1,1,0,0,0|1,0,0]=3 318 B10R0.4 CCCCCCCCC(=O)C D139186 [0,1,1,0,0,0|1,0,0]=3 319 B10R0.4 CCCCCCCCC(=O)C D464910 [0,1,1,0,0,0|1,0,0]=3 320 B10R0.4 CCCCCCCCC(=O)Cl N158955 [0,1,1,0,0,0|1,0,0]=3 321 B10R0.4 CCCCCCCCC(=O)Cl N158958 [0,1,1,0,0,0|1,0,0]=3 322 B10R0.4 CCCCCCCCC(=O)O N110892 [0,1,1,0,0,0|0,0,0]=2 323 B10R0.4 CCCCCCCCC(=O)O N110893 [0,1,1,0,0,0|0,0,0]=2 324 B10R0.4 CCCCCCCCC(=O)O N110894 [0,1,1,0,0,0|0,0,0]=2 325 B10R0.4 CCCCCCCCC(=O)O N110895 [0,1,1,0,0,0|0,0,0]=2 326 B10R0.4 CCCCCCCCC(=O)O N196934 [0,1,1,0,0,0|0,0,0]=2 327 B10R0.4 CCCCCCCCC(=O)O N420639 [0,1,1,0,0,0|0,0,0]=2 328 B10R0.4 CCCCCCCCC(=O)[O-] S161312 [0,1,1,0,0,0|0,0,1]=3 329 B10R0.4 CCCCCCCCC(C)O D154355 [0,1,1,0,0,0|1,0,1]=4 330 B10R0.4 CCCCCCCOC(=O)C H157248 [0,1,1,0,0,0|1,0,0]=3 331 B10R0.4 CCCCCCCOC(=O)Cl H156985 [0,1,1,0,0,0|1,0,0]=3 332 B10R0.4 CCCCOCCOC(=O)C B111057 [0,1,1,0,0,0|2,0,0]=4 333 B10R0.6 C(CCN)CC(CC(=O)O)N L183473 [0,1,1,0,0,0|1,0,0]=3 334 B10R0.6 CCCCCC(CC(=O)O)O H275940 [0,1,1,0,0,0|0,0,0]=2 335 B10R0.22 CCCCCCCP(=O)(O)O H157407 [0,1,1,0,0,0|1,0,0]=3 336 B10R0.22 CCCCCCCS(=O)(=O)[O-] S104933 [0,1,1,0,0,0|1,0,1]=4 337 B10R0.22 CCCCCCCS(=O)(=O)[O-] S104934 [0,1,1,0,0,0|1,0,1]=4 338 B10R0.22 CCCCCCCS(=O)(=O)[O-] S189072 [0,1,1,0,0,0|1,0,1]=4 339 B10R0.22 CCCCCCCS(=O)(=O)[O-] S475289 [0,1,1,0,0,0|1,0,1]=4 340 B10R0.55 COC(=O)CCCCC(=O)O M102995 [0,1,1,0,0,0|1,0,1]=4 341 B10R0.74 CCCCCC#CC(=O)OC M107624 [0,1,1,0,0,0|0,0,2]=4 342 B10R0.74 CCCCCC=CC(=O)OC M158154 [0,1,1,0,0,0|0,0,2]=4 343 B10R0.74 CCCCCCCC(=O)CC D154228 [0,1,1,0,0,0|1,0,0]=3 344 B10R0.74 CCCCCCCC(=O)NN N159466 [0,1,1,0,0,0|1,0,0]=3 345 B10R0.74 CCCCCCCC(=O)NO O123988 [0,1,1,0,0,0|0,0,0]=2 346 B10R0.74 CCCCCCCC(=O)N[O-] S303820 [0,1,1,0,0,0|0,0,1]=3 347 B10R0.74 CCCCCCCC(=O)OC M158053 [0,1,1,0,0,0|0,0,0]=2 348 B10R0.74 CCCCCCCC(=O)OC M158158 [0,1,1,0,0,0|0,0,0]=2 349 B10R0.74 CCCCCCCC(C=C)O D154363 [0,1,1,0,0,0|1,0,1]=4 350 B10R0.74 CCCCCCCC(CC)O D154380 [0,1,1,0,0,0|1,0,1]=4 351 B10R0.74 CCCCCCOC(=O)C=C H156906 [0,1,1,0,0,0|2,0,0]=4 352 B10R0.74 CCCCCCOC(=O)CC H157249 [0,1,1,0,0,0|2,0,0]=4 353 B10R0.74 COC(=O)CCCCCCBr M303935 [0,1,1,0,0,0|1,0,0]=3 354 B10R0.74 COC(=O)CCCCCCN M191642 [0,1,1,0,0,0|1,0,0]=3 355 B10R0.75 C(CO)CSCC(C(=O)O)N F129236 [0,1,1,0,0,0|2,0,0]=4 356 B10R0.75 C(CO)CSCC(C(=O)O)N F421233 [0,1,1,0,0,0|2,0,0]=4 357 B10R0.75 CCCCCCC(=O)C(=O)O O300763 [0,1,1,0,0,0|0,0,1]=3 358 B10R0.75 CCCCCCC(C(=O)O)Br B152296 [0,1,1,0,0,0|0,0,0]=2 359 B10R0.75 CCCCCCC(C(=O)O)N S134525 [0,1,1,0,0,0|0,0,0]=2 360 B10R0.75 CCCCCCC(C(=O)O)N S189878 [0,1,1,0,0,0|0,0,0]=2 361 B10R0.75 CCCCCCC(C(=O)O)O X139091 [0,1,1,0,0,0|0,0,0]=2 362 B10R0.78 CCCCC(C)CCC(=O)O M103013 [0,1,1,0,0,0|0,0,0]=2 363 B10R0.97 C(CCC(=O)O)CCC(=O)O P110547 [0,1,1,0,0,0|1,0,1]=4 364 B10R0.97 CC(=O)CCCCCC(=O)O O472248 [0,1,1,0,0,0|0,0,1]=3 365 B10R0.18 CCCCC(=O)CC(=O)OC M158508 [0,1,1,0,0,0|1,0,1]=4 366 B10R0.96 CC(CCC(=O)O)CC(=O)O M158387 [0,1,1,0,0,0|1,0,1]=4 367 B10R0.79 C(CO)N(CCO)CC(=O)O B110905 [0,1,1,0,0,0|2,0,0]=4 368 B10R0.79 C(CO)N(CCO)CC(=O)O B110906 [0,1,1,0,0,0|2,0,0]=4 369 B10R1.1 C1CC(CCC1CCN)O A151059 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.1 C1CC(CCC1CCO)N A151060 [1,1,0,0,0,0|0,0,1]=3 371 B10R1.1 CC1CCC(CC1)N=C=O M140073 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.1 CCCC1CCC(CC1)O P160707 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.1 CN1CCC(CC1)CCO M175713 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.4 C=CCC1CCCCC1=O A151742 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.15 C1CCC(CC1)C(CO)N S590298 [1,1,0,0,0,0|0,0,1]=3 376 B10R1.15 CCC(C1CCCCC1)N S489475 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.17 C1CCC(CC1)CCC=O C479079 [1,1,0,0,0,0|0,0,0]=2 378 B10R1.17 C1CCC(CC1)CCCN C170358 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.17 C1CCC(CC1)CCCO C153386 [1,1,0,0,0,0|0,0,1]=3 380 B10R1.17 C1CCC(CC1)CN=C=O C352465 [1,1,0,0,0,0|0,0,1]=3 381 B10R1.17 C1CCC(CC1)CN=C=S C140404 [1,1,0,0,0,0|0,1,1]=4 382 B10R1.17 C1CCC(CC1)NCCO N140389 [1,1,0,0,0,0|0,0,1]=3 383 B10R1.17 C1CCN(CC1)CCCO P132596 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.17 C=CCNC1CCCCC1 B301357 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.17 C=CCOC1CCCCO1 A102086 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.17 CCCCC1CCCCC1 B152699 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.13 C1CC(=O)CCC1C(=O)O O177831 [0,1,0,0,1,0|0,0,1]=3 388 B10R1.13 C1CC(CCC1C(=O)O)N A124585 [0,1,0,0,1,0|0,0,0]=2 389 B10R1.13 C1CC(CCC1C(=O)O)N C153750 [0,1,0,0,1,0|0,0,0]=2 390 B10R1.13 C1CC(CCC1C(=O)O)N I135100 [0,1,0,0,1,0|0,0,0]=2 391 B10R1.13 C1CC(CCC1C(=O)O)O C154122 [0,1,0,0,1,0|0,0,0]=2 392 B10R1.13 C1CC(CCC1C(=O)O)O H132286 [0,1,0,0,1,0|0,0,0]=2 393 B10R1.13 C1CC(CCC1C(=O)O)O T161443 [0,1,0,0,1,0|0,0,0]=2 394 B10R1.13 C1CC(NCC1O)C(=O)O S176988 [0,1,0,0,1,0|1,0,0]=3 395 B10R1.13 CC(=O)N1CCC(CC1)N A168578 [0,1,0,0,1,0|2,0,0]=4 396 B10R1.13 CC(=O)N1CCC(CC1)N A482506 [0,1,0,0,1,0|2,0,0]=4 397 B10R1.13 CC(=O)N1CCC(CC1)O E176408 [0,1,0,0,1,0|2,0,0]=4 398 B10R1.13 CC1CCC(CC1)C(=O)O M158294 [0,1,0,0,1,0|0,0,0]=2 399 B10R1.13 CC1CCC(CC1)C(=O)O T472827 [0,1,0,0,1,0|0,0,0]=2 400 B10R1.28 C1CCC(CC1)S(=O)(=O)Cl C170559 [0,1,0,0,1,0|1,0,1]=4 401 B10R1.61 C1CC(C(=O)NC1)C(=O)O O170260 [0,1,0,0,1,0|1,0,1]=4 402 B10R1.61 C1CCC(C(C1)C(=O)O)N C349166 [0,1,0,0,1,0|0,0,0]=2 403 B10R1.61 C1CCC(C(C1)C(=O)O)O H157379 [0,1,0,0,1,0|0,0,0]=2 404 B10R1.61 CC(=O)C1CCCCC1=O A151668 [0,1,0,0,1,0|1,0,1]=4 405 B10R1.61 CC1C(CCCN1)C(=O)O M190173 [0,1,0,0,1,0|1,0,0]=3 406 B10R1.61 CC1CCCCC1C(=O)O M492419 [0,1,0,0,1,0|0,0,0]=2 407 B10R1.113 C1CC(CC(=O)C1)C(=O)O O191300 [0,1,0,0,1,0|0,0,1]=3 408 B10R1.113 C1CC(CC(C1)N)C(=O)O A133090 [0,1,0,0,1,0|0,0,0]=2 409 B10R1.113 C1CC(CC(C1)N)C(=O)O C153901 [0,1,0,0,1,0|0,0,0]=2 410 B10R1.113 C1CC(CC(C1)O)C(=O)O H157380 [0,1,0,0,1,0|0,0,0]=2 411 B10R1.113 C1CC(NC(=O)C1)C(=O)O O121564 [0,1,0,0,1,0|1,0,1]=4 412 B10R1.113 C1CC(NC(=O)C1)C(=O)O O349934 [0,1,0,0,1,0|1,0,1]=4 413 B10R1.113 CC1CCCC(C1)C(=O)O M299842 [0,1,0,0,1,0|0,0,0]=2 414 B10R1.113 CC1CCCC(C1)C(=O)O M472837 [0,1,0,0,1,0|0,0,0]=2 415 B10R1.113 CC1CCCN(C1)C(=O)C A474323 [0,1,0,0,1,0|2,0,0]=4 416 B10R1.113 CC1CCNC(C1)C(=O)O R194886 [0,1,0,0,1,0|1,0,0]=3 417 B10R1.363 C1CCC(CC1)(C(=O)O)N A101237 [0,1,0,0,1,0|0,0,0]=2 418 B10R1.363 CC1(CCCCC1)C(=O)Cl M169298 [0,1,0,0,1,0|1,0,0]=3 419 B10R1.363 CC1(CCCCC1)C(=O)O M157925 [0,1,0,0,1,0|0,0,0]=2 420 B10R1.23 C1CCC(C1)C(C(=O)O)N L133201 [0,1,0,0,1,0|0,0,0]=2 421 B10R1.54 C1C(CNC1CC(=O)O)O L344985 [0,1,0,0,1,0|1,0,0]=3 422 B10R1.64 C1CC(=O)N(C1)CC(=O)O O193821 [0,1,0,0,1,0|1,0,1]=4 423 B10R1.64 C1CC(C(=O)C1)CC(=O)O O167346 [0,1,0,0,1,0|0,0,1]=3 424 B12R1.27 COC(=O)CCN1CCOCC1 M169674 [0,1,0,0,0,1|2,0,0]=4 425 B12R1.43 C1CCC(CC1)CC(C(=O)O)N C133510 [0,1,0,0,0,1|0,0,0]=2 426 B12R1.43 C1CCC(CC1)CC(C(=O)O)N I169446 [0,1,0,0,0,1|0,0,0]=2 427 B12R1.107 C1COCCN1C(=O)CC(=O)O M165676 [0,1,0,0,0,1|2,0,0]=4 428 B12R1.34 COC(=O)C(C1CCCCC1)N H167279 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.34 COC(=O)C(C1CCCCC1)N M134297 [0,2,0,0,0,0|0,0,0]=2 430 B12R1.32 CCCC(=O)OC1CCCCC1 C154073 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.32 CCOC(=O)CC1CCCCC1 E156524 [0,2,0,0,0,0|0,0,0]=2 432 B12R1.32 CCOC(=O)CC1CCCNC1 E167800 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.32 CCOC(=O)CC1CCNCC1 E191463 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.32 CCOC(=O)CN1CCCCC1 E168907 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.32 CCOC(=O)CN1CCNCC1 N137591 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.3862 C1CCC(CC1)(CC(=O)O)CN E129603 [0,2,0,0,0,0|0,0,0]=2 437 B12R1.3862 C1CCC(CC1)(CC(=O)O)CN G122413 [0,2,0,0,0,0|0,0,0]=2 438 B12R1.3862 C1CCC(CC1)(CC(=O)O)CN G424996 [0,2,0,0,0,0|0,0,0]=2 439 B12R1.3862 C1CCC(CC1)(CC(=O)O)CN G424997 [0,2,0,0,0,0|0,0,0]=2 440 B10R1.16 CCCCC1CCC(=O)O1 O117514 [0,0,1,1,0,0|0,0,0]=2 441 B10R1.39 CCN1CCCC1C(=O)N R404393 [0,0,1,1,0,0|2,0,0]=4 442 B10R1.39 CCN1CCCC1C(=O)N S161270 [0,0,1,1,0,0|2,0,0]=4 443 B10R1.66 C1CCC(C1)CCC(=O)Cl C102472 [0,0,1,1,0,0|1,0,0]=3 444 B10R1.66 C1CCC(C1)CCC(=O)O W132385 [0,0,1,1,0,0|0,0,0]=2 445 B10R1.78 C1CCCC(=O)NCCC1 O159932 [0,0,1,1,0,0|1,0,0]=3 446 B10R1.348 C1CCCC(CC1)C(=O)Cl C589802 [0,0,1,1,0,0|1,0,0]=3 447 B10R1.348 C1CCCC(CC1)C(=O)O C121819 [0,0,1,1,0,0|0,0,0]=2 448 B10R2.7 C1CCC2CNCC2C1 C153994 [1,0,0,1,0,0|2,0,0]=4 449 B10R2.7 C1CCC2CNCC2C1 C181874 [1,0,0,1,0,0|2,0,0]=4 450 B10R2.7 C1CCC2CNCC2C1 O192077 [1,0,0,1,0,0|2,0,0]=4 451 B10R2.62 C1CC2CCC1C(=O)N2 A176151 [1,0,0,1,0,0|1,0,0]=3 452 B10R2.62 C1CN2CCC1C(=O)C2 Q109701 [1,0,0,1,0,0|1,0,0]=3 453 B10R2.351 C1C2C(C2C(=O)O)CO1 O194616 [0,0,0,1,1,0|1,0,0]=3 454 B10R2.71 C1CC2CC(=O)CC1N2 N119961 [0,0,0,1,1,0|2,0,0]=4 455 B12R2.24 C1CCC2CC(=O)CCC2C1 B301259 [0,0,0,1,0,1|1,0,0]=3 456 B12R2.24 C1CCC2CC(CCC2C1)O D154359 [0,0,0,1,0,1|1,0,1]=4 457 B12R2.1392 C1CN2CCC1CC2C(=O)O A589366 [0,0,0,1,0,1|1,0,0]=3 458 B12R2.1392 CC(=O)C1CC2CCC1CC2 B192220 [0,0,0,1,0,1|1,0,0]=3 459 B12R2.2918 C1CCC2(CC1)CC(=O)NC2 P160364 [0,0,0,1,0,1|1,0,0]=3 460 B12R2.2918 C1CCC2(CC1)OCC(=O)O2 P160682 [0,0,0,1,0,1|0,0,0]=2 461 B12R2.2918 C1CNCCC12CC(=O)NC2 D176799 [0,0,0,1,0,1|2,0,0]=4 462 B12R2.1154 CN1C2CCCC1CC(=O)C2 P465324 [0,1,0,1,0,0|2,0,0]=4 463 B8R0.8 C(CC(C(=O)O)N)CN L350090 [0,0,1,0,1,0|2,0,0]=4 464 B8R0.8 C(CC(C(=O)O)N)CN L413185 [0,0,1,0,1,0|2,0,0]=4 465 B8R0.8 C(CC(C(=O)O)N)CN L423300 [0,0,1,0,1,0|2,0,0]=4 466 B8R0.8 C(CC(C(=O)O)N)CN L425600 [0,0,1,0,1,0|2,0,0]=4 467 B8R0.8 C(CC(C(=O)O)N)CN L432617 [0,0,1,0,1,0|2,0,0]=4 468 B8R0.8 C(CC(C(=O)O)N)CN O101048 [0,0,1,0,1,0|2,0,0]=4 469 B8R0.8 C(CC(C(=O)O)N)CN O108803 [0,0,1,0,1,0|2,0,0]=4 470 B8R0.8 C(CC(C(=O)O)N)CN S161189 [0,0,1,0,1,0|2,0,0]=4 471 B8R0.8 C(CC(C(=O)O)N)CN S161190 [0,0,1,0,1,0|2,0,0]=4 472 B8R0.8 C(CC(C(=O)O)N)CN S589622 [0,0,1,0,1,0|2,0,0]=4 473 B8R0.8 CCCCC(C(=O)O)Br B152316 [0,0,1,0,1,0|1,0,0]=3 474 B8R0.8 CCCCC(C(=O)O)N L485252 [0,0,1,0,1,0|1,0,0]=3 475 B8R0.8 CCCCC(C(=O)O)N N105991 [0,0,1,0,1,0|1,0,0]=3 476 B8R0.8 CCCCC(C(=O)O)N N109230 [0,0,1,0,1,0|1,0,0]=3 477 B8R0.8 CCCCC(C(=O)O)N S136235 [0,0,1,0,1,0|1,0,0]=3 478 B8R0.8 CCCCC(C(=O)O)O H300379 [0,0,1,0,1,0|1,0,0]=3 479 B8R0.8 CCCCC(C(=O)O)O H425022 [0,0,1,0,1,0|1,0,0]=3 480 B8R0.8 CCCCC(C)C(=O)O M158388 [0,0,1,0,1,0|0,0,0]=2 481 B8R0.8 CCCCC(C)C(=O)O M424064 [0,0,1,0,1,0|0,0,0]=2 482 B8R0.8 CSCCC(C(=O)O)N D423548 [0,0,1,0,1,0|2,0,0]=4 483 B8R0.8 CSCCC(C(=O)O)N D424961 [0,0,1,0,1,0|2,0,0]=4 484 B8R0.8 CSCCC(C(=O)O)N L133003 [0,0,1,0,1,0|2,0,0]=4 485 B8R0.8 CSCCC(C(=O)O)N L425234 [0,0,1,0,1,0|2,0,0]=4 486 B8R0.8 CSCCC(C(=O)O)N M101130 [0,0,1,0,1,0|2,0,0]=4 487 B8R0.8 CSCCC(C(=O)O)N M101131 [0,0,1,0,1,0|2,0,0]=4 488 B8R0.8 CSCCC(C(=O)O)N M104886 [0,0,1,0,1,0|2,0,0]=4 489 B8R0.8 CSCCC(C(=O)O)N M109223 [0,0,1,0,1,0|2,0,0]=4 490 B8R0.8 CSCCC(C(=O)O)O H194065 [0,0,1,0,1,0|2,0,0]=4 491 B8R0.8 C[Se]CCC(C(=O)O)N L423306 [0,0,1,0,1,0|2,0,0]=4 492 B8R0.8 C[Se]CCC(C(=O)O)N S130045 [0,0,1,0,1,0|2,0,0]=4 493 B8R0.8 C[Se]CCC(C(=O)O)N S161192 [0,0,1,0,1,0|2,0,0]=4 494 B8R1.8 C1CCC(C1)CCO C154115 [1,0,0,0,1,0|0,0,1]=3 495 B8R1.8 C1CCC(C1)N=C=O C153263 [1,0,0,0,1,0|1,0,1]=4 496 B8R1.8 C1CCN(C1)CCO H140439 [1,0,0,0,1,0|1,0,1]=4 497 B8R1.8 C=CCC1CCCC1 A332839 [1,0,0,0,1,0|1,0,0]=3 498 B8R1.7 B(C1CCCC1)(O)O C171252 [0,0,0,0,2,0|1,0,1]=4 499 B8R1.7 C1C(NCS1)C(=O)O T137734 [0,0,0,0,2,0|2,0,0]=4 500 B8R1.7 C1C(NCS1)C(=O)O T303731 [0,0,0,0,2,0|2,0,0]=4 501 B8R1.7 C1C(NCS1)C(=O)O T424020 [0,0,0,0,2,0|2,0,0]=4 502 B8R1.7 C1C=CCC1C(=O)O C153744 [0,0,0,0,2,0|0,0,2]=4 503 B8R1.7 C1CC(NC1)C(=O)N P105976 [0,0,0,0,2,0|2,0,0]=4 504 B8R1.7 C1CC(NC1)C(=O)N P121653 [0,0,0,0,2,0|2,0,0]=4 505 B8R1.7 C1CC(NC1)C(=O)N S136613 [0,0,0,0,2,0|2,0,0]=4 506 B8R1.7 C1CC(NC1)C(=O)O D423511 [0,0,0,0,2,0|1,0,0]=3 507 B8R1.7 C1CC(NC1)C(=O)O L421729 [0,0,0,0,2,0|1,0,0]=3 508 B8R1.7 C1CC(NC1)C(=O)O P105590 [0,0,0,0,2,0|1,0,0]=3 509 B8R1.7 C1CC(NC1)C(=O)O P108709 [0,0,0,0,2,0|1,0,0]=3 510 B8R1.7 C1CC(NC1)C(=O)O P111001 [0,0,0,0,2,0|1,0,0]=3 511 B8R1.7 C1CC(NC1)C(=O)O P120032 [0,0,0,0,2,0|1,0,0]=3 512 B8R1.7 C1CC(NC1)C(=O)O P140375 [0,0,0,0,2,0|1,0,0]=3 513 B8R1.7 C1CC(NC1)C(=O)O P477766 [0,0,0,0,2,0|1,0,0]=3 514 B8R1.7 C1CC(OC1)C(=O)N S469270 [0,0,0,0,2,0|2,0,0]=4 515 B8R1.7 C1CC(OC1)C(=O)O R160850 [0,0,0,0,2,0|1,0,0]=3 516 B8R1.7 C1CC(OC1)C(=O)O S161338 [0,0,0,0,2,0|1,0,0]=3 517 B8R1.7 C1CC(OC1)C(=O)O T161757 [0,0,0,0,2,0|1,0,0]=3 518 B8R1.7 C1CC=C(C1)C(=O)O C153747 [0,0,0,0,2,0|0,0,2]=4 519 B8R1.7 C1CCC(C1)C(=O)Cl C138861 [0,0,0,0,2,0|1,0,0]=3 520 B8R1.7 C1CCC(C1)C(=O)N C357646 [0,0,0,0,2,0|1,0,0]=3 521 B8R1.7 C1CCC(C1)C(=O)O C104489 [0,0,0,0,2,0|0,0,0]=2 522 B8R1.7 C1CNCC1C(=O)O P176886 [0,0,0,0,2,0|1,0,0]=3 523 B8R1.7 C1CNCC1C(=O)O P196048 [0,0,0,0,2,0|1,0,0]=3 524 B8R1.7 C1CNCC1C(=O)O S134732 [0,0,0,0,2,0|1,0,0]=3 525 B8R1.7 C1CNCC1C(=O)O S137345 [0,0,0,0,2,0|1,0,0]=3 526 B8R1.7 C1COCC1C(=O)O R194491 [0,0,0,0,2,0|1,0,0]=3 527 B8R1.7 C1COCC1C(=O)O T135700 [0,0,0,0,2,0|1,0,0]=3 528 B8R1.7 C1CSC(N1)C(=O)O T162356 [0,0,0,0,2,0|2,0,0]=4 529 B8R1.7 CC(=O)C1CCCC1 C194132 [0,0,0,0,2,0|1,0,0]=3 530 B8R1.7 CC(=O)N1CCCC1 A151303 [0,0,0,0,2,0|2,0,0]=4 531 B8R1.7 CC(C1CCCC1)O C349965 [0,0,0,0,2,0|1,0,1]=4 532 B10R1.85 C1CCCC(CC1)CCN C170395 [1,0,0,0,0,1|1,0,1]=4 533 B10R1.85 C1CCCN(CC1)CCO H168438 [1,0,0,0,0,1|1,0,1]=4 534 B12R1.252 C1CCC(CC1)CCCC(=O)O C153556 [0,0,0,0,0,2|0,0,0]=2 535 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] S171238 [0,0,0,0,0,2|0,0,1]=3 536 B12R1.252 C1CNCCC1CCCC(=O)O P471630 [0,0,0,0,0,2|1,0,0]=3