0 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CCCCCCCC(C)Br S438758 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.2 CCCNOCCC(=O)C S581321 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.2 COCCCCCC(=O)O CBR00492 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.4 C#CCCCCC=CC T304468 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.4 C(=C/CCCCCO)\C T264652 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.4 C(=O)NCCOCCO S405213 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.4 CC#CCCCCCO T264709 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.4 CCCCCCCSC S570729 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.4 CCCCCCC[Hg]Cl S572500 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.4 CCCCNCCCC S367869 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.4 CCCCNCCCC S503894 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.4 CCCCNCCCC S566152 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.4 CCNCCCCCO PH007898 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.4 CSCCCCCCO S931667 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.4 CSCCCCCSC S375896 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.7 C(=O)OCCCC(=O)C R396036 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.7 CC(=CCCCCBr)C PH009497 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.7 CC(=O)NCCCCN CDS021099 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.7 CC(C)CCCCCN CDS001505 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.7 CCCCCCC(C)C S430935 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.7 CCCCCCC(C)Cl S564516 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.7 CCCCCOC(=O)Cl CDS000346 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.7 CCCCOCC(=O)O CDS008145 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.7 CCCCSCC(C)C S570567 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.7 CCCC[Hg]OC(=O)C S814512 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.7 CCCNCCC(=O)O OTV000481 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.7 CCSCCCC(=O)O PH008798 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.7 CN(C)CCCCCN CDS002923 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.7 NC(=O)CCCCCBr CDS003086 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.7 NCCCCCC(=O)N CDS015235 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.7 NCCSCCC(=O)O PH011733 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.7 O=C(O)CCNCCO S888699 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.7 O=C(O)CCOCCO CDS021155 [1,0,0,0,0,0|3,0,0]=4 36 B10R0.4 C=C(C)COCOCCOC S890952 [0,1,0,0,0,0|3,0,0]=4 37 B10R0.4 CC(=CCCCCCCBr)C S793051 [0,1,0,0,0,0|2,0,0]=3 38 B10R0.4 CC(C)CCCCCCCO PH008704 [0,1,0,0,0,0|2,0,1]=4 39 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,1,0,0,0,0|2,0,1]=4 40 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,1,0,0,0,0|2,0,0]=3 41 B10R0.4 CCCCCCCCC(=N)N PH012190 [0,1,0,0,0,0|3,0,0]=4 42 B10R0.4 CCCCCCCCC(=O)N S595268 [0,1,0,0,0,0|2,0,0]=3 43 B10R0.4 CCCCCCCCC(C)N T151068 [0,1,0,0,0,0|2,0,1]=4 44 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [0,1,0,0,0,0|3,0,0]=4 45 B10R0.4 CCCCCCCNC(=O)C R704377 [0,1,0,0,0,0|1,0,0]=2 46 B10R0.4 CCCCCCCNC(=O)N S516643 [0,1,0,0,0,0|2,0,0]=3 47 B10R0.4 COCCOCCOC(=O)C S705659 [0,1,0,0,0,0|1,0,0]=2 48 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [0,1,0,0,0,0|2,0,1]=4 49 B10R0.6 CCCCCC(C)NC(C)C PH013772 [0,1,0,0,0,0|2,0,1]=4 50 B10R0.6 CCCCCC(O)CC(C)C S417432 [0,1,0,0,0,0|2,0,1]=4 51 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [0,1,0,0,0,0|2,0,1]=4 52 B10R0.6 CCCOCC(C)OC(=O)C S84450 [0,1,0,0,0,0|1,0,0]=2 53 B10R0.22 CCCCCCOS(=O)(=O)[O-] S617164 [0,1,0,0,0,0|2,0,0]=3 54 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,1,0,0,0,0|1,0,0]=2 55 B10R0.74 C(=O)/C(=C/C=C/CCCC)/C S881708 [0,1,0,0,0,0|1,0,2]=4 56 B10R0.74 CCCCCC#CC(=O)CC S128325 [0,1,0,0,0,0|1,0,1]=3 57 B10R0.74 CCCCCCCC(=O)CC S544043 [0,1,0,0,0,0|1,0,0]=2 58 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,1,0,0,0,0|2,0,0]=3 59 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,1,0,0,0,0|2,0,0]=3 60 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,1,0,0,0,0|1,0,2]=4 61 B10R0.74 CCCCCCNC(=O)NC S892793 [0,1,0,0,0,0|1,0,0]=2 62 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,1,0,0,0,0|0,0,0]=1 63 B10R0.74 CCCCCCOC(=S)S[K] S394122 [0,1,0,0,0,0|1,1,0]=3 64 B10R0.75 CCCCCCC(=O)C(C)C S350575 [0,1,0,0,0,0|2,0,1]=4 65 B10R0.75 CCCCCCC(C)N(C)C S336998 [0,1,0,0,0,0|3,0,0]=4 66 B10R0.75 CCCCCCC(O)C(C)C S417424 [0,1,0,0,0,0|2,0,1]=4 67 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [0,1,0,0,0,0|3,0,0]=4 68 B10R0.78 C=C(C)CCC(O)COCC S312150 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [0,0,0,1,0,0|2,0,0]=3 70 B10R1.16 C=CCCC1CCC(=O)C1 T221252 [0,0,0,1,0,0|1,0,2]=4 71 B10R1.18 CC(=CN1CCCCC1)C S354880 [0,0,0,1,0,0|3,0,0]=4 72 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,0,0,1,0,0|1,0,0]=2 73 B10R1.18 CC(=O)CN1CCCCC1 R433675 [0,0,0,1,0,0|2,0,0]=3 74 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [0,0,0,1,0,0|3,0,0]=4 75 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,0,0,1,0,0|1,0,0]=2 76 B10R1.18 CC(=O)NC1CCNCC1 CDS000127 [0,0,0,1,0,0|2,0,0]=3 77 B10R1.18 CC(C)CC1CCCCC1 S564869 [0,0,0,1,0,0|2,0,1]=4 78 B10R1.18 CC(C)OC1CCCCO1 T332879 [0,0,0,1,0,0|2,0,1]=4 79 B10R1.18 CN(C)NC1CCCCC1 PH001375 [0,0,0,1,0,0|3,0,0]=4 80 B10R1.18 N=C(N)NC1CCCCC1 L255009 [0,0,0,1,0,0|3,0,0]=4 81 B10R1.18 N=C(N)SC1CCCCC1 S822655 [0,0,0,1,0,0|2,1,0]=4 82 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [0,0,0,1,0,0|3,0,0]=4 83 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [0,0,0,1,0,0|3,0,0]=4 84 B10R1.18 NC(=O)NC1CCCCC1 S375047 [0,0,0,1,0,0|2,0,0]=3 85 B10R1.18 NC(=S)NC1CCCCC1 PH002195 [0,0,0,1,0,0|2,1,0]=4 86 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,0,0,1,0,0|3,0,0]=4 87 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,0,0,1,0,0|3,0,0]=4 89 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,0,0,1,0,0|3,0,0]=4 90 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,0,0,1,0,0|3,0,0]=4 91 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,0,0,1,0,0|3,0,0]=4 92 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,0,0,1,0,0|3,0,0]=4 93 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,0,0,1,0,0|3,0,0]=4 94 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [0,0,0,1,0,0|3,0,0]=4 95 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [0,0,0,1,0,0|2,0,0]=3 96 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [0,0,0,1,0,0|3,0,0]=4 97 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [0,0,0,1,0,0|3,0,0]=4 98 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,0,0,1,0,0|3,0,0]=4 100 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,0,0,1,0,0|2,0,1]=4 101 B10R1.64 CC(=O)OC1CCC=C1O PH001829 [0,0,0,1,0,0|1,0,2]=4 102 B10R1.64 CN1CCCC1CC(=O)O PH018759 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.78 CC1CCCCCCCC1 T187364 [0,0,0,1,0,0|2,0,1]=4 106 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,0,0,1,0,0|1,0,1]=3 107 B10R1.348 NC(=S)N1CCCCCC1 CBR01182 [0,0,0,1,0,0|2,1,0]=4 108 B10R1.348 O=[N+]([O-])C1CCCCCC1 S919098 [0,0,0,1,0,0|3,0,0]=4 109 B7R0.1 C(=O)NCCCOC S363286 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.1 C/C=C\CCCCO S310700 [2,0,0,0,0,0|1,0,1]=4 111 B7R0.1 C=CCCCCCO S303445 [2,0,0,0,0,0|1,0,1]=4 112 B7R0.1 CCCCCC[Hg]Cl S572519 [2,0,0,0,0,0|2,0,0]=4 113 B7R0.1 CCCCCON=O CDS000385 [2,0,0,0,0,0|1,0,0]=3 114 B7R0.1 CCCCSCCC S367192 [2,0,0,0,0,0|1,0,1]=4 115 B7R0.1 CNCCCCCO PH007838 [2,0,0,0,0,0|2,0,0]=4 116 B7R0.1 COCCCCCO PH003271 [2,0,0,0,0,0|1,0,0]=3 117 B7R0.1 COCCOCCN CDS022898 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.1 COCCSCCO PH010752 [2,0,0,0,0,0|2,0,0]=4 119 B7R0.4 C=CCCOC(=O)C S510343 [2,0,0,0,0,0|0,0,2]=4 120 B7R0.4 CC(=O)NCCCO OTV000276 [2,0,0,0,0,0|2,0,0]=4 121 B7R0.4 CC(=O)OCCCS S786683 [2,0,0,0,0,0|1,0,0]=3 122 B7R0.4 CCC/C=C/C(=O)C CDS001219 [2,0,0,0,0,0|0,0,2]=4 123 B7R0.4 CCCCCC(=N)N CBR01197 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.4 CCCCCC(C)Cl CDS000285 [2,0,0,0,0,0|1,0,1]=4 125 B7R0.4 CCCCNC(=O)C CDS013581 [2,0,0,0,0,0|1,0,0]=3 126 B7R0.4 CCOCCC(=O)O S448745 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.4 CNCCCC(=O)O PH006886 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.4 COCCCC(=O)O CDS021485 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.4 CSCCCC(=O)O OTV000795 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.4 CSCCOC(=O)C S375721 [2,0,0,0,0,0|1,0,0]=3 131 B7R0.4 NC(=O)CCCCO S441481 [2,0,0,0,0,0|2,0,0]=4 132 B9R0.5 C=CCC(O)CCCCC S417475 [1,1,0,0,0,0|1,0,1]=4 133 B9R0.5 CCCCCC(C)CCC S431648 [1,1,0,0,0,0|1,0,1]=4 134 B9R0.5 CCCCOC(C)OCC S240214 [1,1,0,0,0,0|1,0,1]=4 135 B9R0.18 CCOCC(O)COCC S433292 [1,1,0,0,0,0|1,0,1]=4 136 B9R0.45 CCCCCCC#CCBr PH009441 [1,1,0,0,0,0|1,0,1]=4 137 B9R0.45 CCCCCCCCNC CDS003222 [1,1,0,0,0,0|1,0,1]=4 138 B9R0.45 CCCCCCOCC#N S240370 [1,1,0,0,0,0|0,0,2]=4 139 B9R0.45 CCCCCCSCCO S362344 [1,1,0,0,0,0|0,1,1]=4 140 B9R0.45 CCCCCNCCCC OTV000733 [1,1,0,0,0,0|1,0,1]=4 141 B9R0.45 CCSCCCCSCC S347833 [1,1,0,0,0,0|0,1,1]=4 142 B9R0.45 CSCCCCCCSC S347825 [1,1,0,0,0,0|2,0,0]=4 143 B9R0.45 N#CCCCCCCC=O PH008272 [1,1,0,0,0,0|1,0,1]=4 144 B9R0.1 CCC(C)CCCC(C)C S765406 [1,1,0,0,0,0|1,0,1]=4 145 B9R0.1 COC(C)CCOC(=O)C CDS000509 [1,1,0,0,0,0|1,0,0]=3 146 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [1,1,0,0,0,0|0,0,1]=3 147 B9R0.4 CCCCC(=O)CC(=O)C S839590 [1,1,0,0,0,0|0,0,1]=3 148 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [1,1,0,0,0,0|1,0,0]=3 149 B9R0.4 CCCNC(=O)CC(=O)C R466107 [1,1,0,0,0,0|1,0,1]=4 150 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [1,1,0,0,0,0|1,0,1]=4 151 B9R0.38 CCCCCCS(=O)(=O)[O-] R426628 [1,1,0,0,0,0|2,0,0]=4 152 B9R0.47 CCCCCC(O)C(C)C S431656 [1,1,0,0,0,0|1,0,1]=4 153 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [1,1,0,0,0,0|1,0,0]=3 154 B11R0.6 CC(=CCCC(C)CC(C)O)C S311332 [0,2,0,0,0,0|2,0,0]=4 155 B11R0.6 CC(=O)OCCC(C)OC(=O)C S507261 [0,2,0,0,0,0|1,0,1]=4 156 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C T291226 [0,2,0,0,0,0|0,0,2]=4 157 B11R0.2 CCCCCCC(C)CC(=O)O CDS011550 [0,2,0,0,0,0|2,0,0]=4 158 B11R0.30 CC(=O)NCCCCCC(=O)O PH010928 [0,2,0,0,0,0|1,0,1]=4 159 B11R0.42 CCCCCC/C=C(/C)\C(=O)O S489905 [0,2,0,0,0,0|1,0,0]=3 160 B11R0.42 CCCCCCCC(=O)C(C)C S561193 [0,2,0,0,0,0|1,0,0]=3 161 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [0,2,0,0,0,0|2,0,0]=4 162 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [0,2,0,0,0,0|1,0,1]=4 163 B11R0.42 CCCCCCOC(=O)C(Cl)Cl PH008761 [0,2,0,0,0,0|0,0,0]=2 164 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [0,2,0,0,0,0|2,0,0]=4 165 B11R0.148 C(=C/CCOC(=O)C)\CCCI T165999 [0,2,0,0,0,0|0,0,1]=3 166 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [0,2,0,0,0,0|0,0,0]=2 167 B11R0.148 CCCCCC#CCCC(=O)C S884901 [0,2,0,0,0,0|1,0,0]=3 168 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,2,0,0,0,0|2,0,0]=4 169 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,2,0,0,0,0|2,0,0]=4 170 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,2,0,0,0,0|2,0,0]=4 171 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,2,0,0,0,0|1,0,0]=3 172 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,2,0,0,0,0|2,0,0]=4 173 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,2,0,0,0,0|2,0,0]=4 174 B11R0.159 CCCCCCCNS(=O)(=O)C T170321 [0,2,0,0,0,0|2,0,0]=4 175 B11R0.176 CCCC(=O)OCCCC(=O)C R396044 [0,2,0,0,0,0|1,0,1]=4 176 B11R0.154 CCCCCC(C)NC(=O)CCl S380253 [0,2,0,0,0,0|1,0,0]=3 177 B11R0.31 CC(=O)NCCCNC(C)(C)C PH012640 [0,2,0,0,0,0|2,0,0]=4 178 B11R0.31 CC(C)(C)CCCCCC(=O)O CDS003253 [0,2,0,0,0,0|2,0,0]=4 179 B11R0.22 CCN(CC)CCCNC(=O)C S380199 [0,2,0,0,0,0|2,0,0]=4 180 B11R0.93 CC(=O)OC[C@@H](C)C[C@@H](C)CO T257168 [0,2,0,0,0,0|1,0,0]=3 181 B11R0.4 CCCCCC#CC(=O)OCC S414107 [0,2,0,0,0,0|1,0,1]=4 182 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,2,0,0,0,0|1,0,0]=3 183 B11R0.4 CCCCCCCC(=O)OCCl PH007966 [0,2,0,0,0,0|1,0,0]=3 184 B11R0.4 CCOC(=O)CCCCCCO R174513 [0,2,0,0,0,0|2,0,0]=4 185 B11R0.76 CCCCCCC(CC)C(=O)O PH002681 [0,2,0,0,0,0|2,0,0]=4 186 B11R0.125 CCCCCCC(C)(C)C(=O)O PH000145 [0,2,0,0,0,0|2,0,0]=4 187 B11R0.85 CC(=O)OCC(C)CCC(=O)O PH015210 [0,2,0,0,0,0|1,0,1]=4 188 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.8 CCOC1CCCCO1 S359033 [1,0,0,1,0,0|1,0,1]=4 190 B9R1.8 CCOC1CCNCC1 CBR01194 [1,0,0,1,0,0|1,0,1]=4 191 B9R1.8 CNCC1CCOCC1 CDS009689 [1,0,0,1,0,0|1,0,1]=4 192 B9R1.8 N1CCC(CC1)CCC S409944 [1,0,0,1,0,0|1,0,1]=4 193 B9R1.8 NCCC1CCOCC1 CDS006180 [1,0,0,1,0,0|1,0,1]=4 194 B9R1.12 NCCCC1CCOC1 T325317 [1,0,0,1,0,0|1,0,1]=4 195 B9R1.12 O=CCCC1CCCC1 CDS023037 [1,0,0,1,0,0|1,0,0]=3 196 B9R1.33 C=CCC1CCOC1=O T230685 [1,0,0,1,0,0|0,0,2]=4 197 B9R1.33 NCCN1CCOC1=O CBR01024 [1,0,0,1,0,0|2,0,0]=4 198 B9R1.33 O=C1OCCN1CCO CDS013723 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.89 C(=O)N1CCCCCC1 S430455 [1,0,0,1,0,0|1,0,0]=3 200 B9R1.89 CCC1CCCNCC1 CBR01788 [1,0,0,1,0,0|1,0,1]=4 201 B9R1.89 CNC1CCCCCC1 CBR00882 [1,0,0,1,0,0|2,0,0]=4 202 B9R1.89 O=CC1CCCCCC1 PH015086 [1,0,0,1,0,0|1,0,0]=3 203 B9R1.2 CCC1COCC(=O)N1 CBR01631 [1,0,0,1,0,0|2,0,0]=4 204 B9R1.6 CC(=O)C1CCCCC1 PH000084 [1,0,0,1,0,0|0,0,0]=2 205 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [1,0,0,1,0,0|1,0,0]=3 206 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [1,0,0,1,0,0|2,0,0]=4 207 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [1,0,0,1,0,0|2,0,0]=4 208 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [1,0,0,1,0,0|2,0,0]=4 209 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [1,0,0,1,0,0|2,0,0]=4 210 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [1,0,0,1,0,0|2,0,0]=4 211 B9R1.13 CC(=O)C=C1CCCC1 L170097 [1,0,0,1,0,0|0,0,2]=4 212 B9R1.13 CC(=O)CC1CCCC1 L162353 [1,0,0,1,0,0|0,0,0]=2 213 B9R1.13 CC(=O)CC1OCCO1 S561088 [1,0,0,1,0,0|2,0,0]=4 214 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [1,0,0,1,0,0|0,0,0]=2 215 B9R1.13 NC(=O)NC1CCCC1 S345148 [1,0,0,1,0,0|2,0,0]=4 216 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [1,0,0,1,0,0|1,0,0]=3 217 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [1,0,0,1,0,0|2,0,0]=4 218 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.13 O=C(O)CN1CCCC1 L481092 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [1,0,0,1,0,0|0,0,2]=4 221 B9R1.148 CC1(CCCCCC1)O S411949 [1,0,0,1,0,0|0,0,2]=4 222 B11R1.172 O=C(O)COCC1CCCN1 CBR01410 [0,1,0,1,0,0|2,0,0]=4 223 B11R1.24 NCCCN1CCNC(=O)C1 CBR02386 [0,1,0,1,0,0|2,0,0]=4 224 B11R1.86 CC(=O)CN1CCCCC1C R433667 [0,1,0,1,0,0|1,0,0]=3 225 B11R1.86 CC(C)OC1CCCCC1O S672734 [0,1,0,1,0,0|1,0,1]=4 226 B11R1.86 CC1CCCCC1CC(=O)O L127892 [0,1,0,1,0,0|2,0,0]=4 227 B11R1.86 CC\1CCCC/C1=C\C(=O)O L128546 [0,1,0,1,0,0|2,0,0]=4 228 B11R1.91 C=C(C)CNC1CCCCC1 PH012104 [0,1,0,1,0,0|2,0,0]=4 229 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,1,0,1,0,0|1,0,0]=3 230 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [0,1,0,1,0,0|1,0,0]=3 231 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [0,1,0,1,0,0|1,0,0]=3 232 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,1,0,1,0,0|0,0,0]=2 233 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [0,1,0,1,0,0|2,0,0]=4 234 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [0,1,0,1,0,0|2,0,0]=4 235 B11R1.91 NC(=O)CCC1CCNCC1 CBR02356 [0,1,0,1,0,0|2,0,0]=4 236 B11R1.91 NC(=O)COC1CCCNC1 PH019145 [0,1,0,1,0,0|2,0,0]=4 237 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [0,1,0,1,0,0|2,0,0]=4 238 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [0,1,0,1,0,0|2,0,0]=4 239 B11R1.101 O=C1C=CCCCCCCC1 T231835 [0,1,0,1,0,0|1,0,0]=3 240 B11R1.101 O=C1CCC=CCCCCC1 S939781 [0,1,0,1,0,0|1,0,1]=4 241 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,1,0,1,0,0|1,0,0]=3 242 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [0,1,0,1,0,0|2,0,0]=4 243 B11R1.706 CC(=C1CCCCCCC1)C T187453 [0,1,0,1,0,0|2,0,0]=4 244 B11R1.742 CC(=O)OC1CCC=CCC1 T166618 [0,1,0,1,0,0|0,0,1]=3 245 B11R1.742 NC(=O)NC1CCCCCC1 S344907 [0,1,0,1,0,0|2,0,0]=4 246 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,1,0,1,0,0|2,0,0]=4 247 B11R1.156 CC(=O)N1C(CCCC1C)C PH000406 [0,1,0,1,0,0|1,0,0]=3 248 B11R1.928 CC(=O)NC1(CCCCC1)C PH011306 [0,1,0,1,0,0|1,0,0]=3 249 B11R1.928 O=C(O)CC1(CCCCC1)O CDS001976 [0,1,0,1,0,0|2,0,0]=4 250 B11R1.20 CC(=O)NC1CCC(CC1)O CDS000512 [0,1,0,1,0,0|1,0,0]=3 251 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)N PH018847 [0,1,0,1,0,0|1,0,0]=3 252 B11R1.20 CC(=O)OC1CCC(CC1)O S722197 [0,1,0,1,0,0|0,0,0]=2 253 B11R1.20 CN1CCC(CC1)OC(=O)N PH012385 [0,1,0,1,0,0|2,0,0]=4 254 B11R1.75 CC(=O)CCC1CCC(=O)C1 T242535 [0,1,0,1,0,0|1,0,1]=4 255 B11R1.25 COC(=O)CCC1CCCC1 EME00045 [0,1,0,1,0,0|1,0,0]=3 256 B11R1.25 O=C(CCl)NCC1CCCO1 PH015169 [0,1,0,1,0,0|2,0,0]=4 257 B11R1.40 C(=C1CCCCC1)C(=O)OC T184454 [0,1,0,1,0,0|1,0,1]=4 258 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [0,1,0,1,0,0|1,0,0]=3 259 B11R1.40 CNC(=O)NC1CCCCC1 S604569 [0,1,0,1,0,0|1,0,0]=3 260 B11R1.40 CNC(=S)NC1CCCCC1 PH010046 [0,1,0,1,0,0|1,1,0]=4 261 B11R1.40 COC(=O)CC1CCNCC1 CDS003616 [0,1,0,1,0,0|2,0,0]=4 262 B11R1.40 O=C(CBr)OC1CCCCC1 PH001483 [0,1,0,1,0,0|0,0,0]=2 263 B11R1.40 O=C(CCl)OC1CCCCC1 PH009865 [0,1,0,1,0,0|0,0,0]=2 264 B11R1.40 O=C(CI)NC1CCCCC1 PH006183 [0,1,0,1,0,0|1,0,0]=3 265 B11R1.40 O=C(NO)NC1CCCCC1 PH008314 [0,1,0,1,0,0|2,0,0]=4 266 B11R1.222 CC1CCCCN1C(=O)CCl PH011442 [0,1,0,1,0,0|1,0,0]=3 267 B11R1.222 COC(=O)C1CCCCC1O S764612 [0,1,0,1,0,0|2,0,0]=4 268 B11R1.381 CCC1CNCCC(=O)N1C PH018620 [0,1,0,1,0,0|2,0,0]=4 269 B11R1.852 O=C(CCl)N1CCCCCC1 PH010548 [0,1,0,1,0,0|1,0,0]=3 270 B11R1.36 CC(=O)C(C)C1CCCCC1 S497606 [0,1,0,1,0,0|1,0,0]=3 271 B11R1.737 O=C(O)C1(CCCCCC1)O S459178 [0,1,0,1,0,0|2,0,0]=4 272 B11R2.106 [C@@H]12CCCC(=C)[C@@H]1CCC2 T172464 [0,0,0,2,0,0|2,0,0]=4 273 B11R2.106 [C@@H]12CCCC(=O)[C@@H]1CCC2 T167339 [0,0,0,2,0,0|1,0,0]=3 274 B11R2.678 O=C1CC2CCCC(C1)C2 T293415 [0,0,0,2,0,0|1,0,0]=3 275 B11R2.1 O=C1CCC2C1CCCC2 T181331 [0,0,0,2,0,0|1,0,0]=3 276 B11R2.1 O=C1OC[C@H]2[C@@H]1CCOC2 PH016417 [0,0,0,2,0,0|1,0,0]=3 277 B11R2.1 [C@@H]12CCCC[C@@H]1C(=O)CC2 T181420 [0,0,0,2,0,0|1,0,0]=3 278 B11R2.10 O=C1C=C2CCCCC2C1 S58549 [0,0,0,2,0,0|1,0,1]=4 279 B11R2.10 O=C1CC2CC=CC[C@@H]2O1 S330272 [0,0,0,2,0,0|0,0,2]=4 280 B11R2.10 [C@H]12CCCC[C@@H]1CC(=O)N2 T299146 [0,0,0,2,0,0|1,0,0]=3 281 B11R2.845 CC(=O)C1CC2CCC1C2 S240249 [0,0,0,2,0,0|1,0,0]=3 282 B11R2.845 O=C(O)C1CC2CCC1C2 S37738 [0,0,0,2,0,0|2,0,0]=4 283 B11R2.135 [C@H]12CCCCC(=C)C[C@H]1C2 T179760 [0,0,0,2,0,0|2,0,0]=4 284 B11R2.135 [C@H]12CCCCC(=O)C[C@H]1C2 T179965 [0,0,0,2,0,0|1,0,0]=3 285 B11R2.9 C[C@]12CCCC1=CC(=O)C2 T202371 [0,0,0,2,0,0|1,0,1]=4 286 B11R2.432 CN1C2CCC1CC(=O)C2 S439436 [0,0,0,2,0,0|2,0,0]=4 287 B11R2.111 O=C1C=CCC2CC2CC1 T198935 [0,0,0,2,0,0|1,0,1]=4 288 B11R2.513 [C@@H]12CCCCCC(=O)C1C2 T172456 [0,0,0,2,0,0|1,0,0]=3 289 B11R2.513 [C@@H]12CCCCCC(=O)[C@@H]1C2 T172480 [0,0,0,2,0,0|1,0,0]=3 290 B11R2.61 [C@H]12C=CC(=O)CCC1CC2 T182117 [0,0,0,2,0,0|1,0,1]=4