0 B16R0.274 B(CCCCCCCCCCCCCC)(O)O TS57662 [0,0,0,0,0,0|1,0,1]=2 1 B16R0.274 CCCCC=CCCCCCCCCC(=O)O TS57448 [0,0,0,0,0,0|0,0,2]=2 2 B16R0.274 CCCCCCCCC=CCCCOC(=O)C TS57441 [0,0,0,0,0,0|2,0,2]=4 3 B16R0.274 CCCCCCCCC=CCCCOC(=O)C TS57447 [0,0,0,0,0,0|2,0,2]=4 4 B16R0.274 CCCCCCCCCCC#CC#CC(=O)O TS56525 [0,0,0,0,0,0|0,0,4]=4 5 B16R0.274 CCCCCCCCCCC=CCOC(=O)C TS57443 [0,0,0,0,0,0|2,0,2]=4 6 B16R0.274 CCCCCCCCCCCCCCC(=O)C TS26585 [0,0,0,0,0,0|1,0,0]=1 7 B16R0.274 CCCCCCCCCCCCCCC(=O)Cl TS68439 [0,0,0,0,0,0|1,0,0]=1 8 B16R0.274 CCCCCCCCCCCCCCC(=O)O TS57761 [0,0,0,0,0,0|0,0,0]=0 9 B16R0.274 CCCCCCCCCCCCCCC(C)C TS26589 [0,0,0,0,0,0|2,0,1]=3 10 B16R0.274 CCCCCCCCCCCCCCC(C)O TS57772 [0,0,0,0,0,0|1,0,1]=2 11 B16R0.274 CCCCCCCCCCCCCCN(C)C TS26731 [0,0,0,0,0,0|3,0,0]=3 12 B16R0.274 CCCCCCCCCCCCCOC(=O)C TS57758 [0,0,0,0,0,0|2,0,0]=2 13 B16R0.274 CCCCCCCCCCCCCOC([O-])[O-] TS83028 [0,0,0,0,0,0|1,0,3]=4 14 B16R0.274 CCCCCCCCCCCCCOP([O-])[O-] TS72710 [0,0,0,0,0,0|2,0,2]=4 15 B15R0.70 C#CCCCCCCCCCCCCCO TS50542 [1,0,0,0,0,0|0,0,3]=4 16 B15R0.70 C(CCCCCCCBr)CCCCCCBr TS79320 [1,0,0,0,0,0|2,0,1]=4 17 B15R0.70 C(CCCCCCCBr)CCCCCCO TS35606 [1,0,0,0,0,0|1,0,1]=3 18 B15R0.70 C(CCCCCCCO)CCCCCCO TS53079 [1,0,0,0,0,0|1,0,1]=3 19 B15R0.70 CCCCCCCCCCCCCCC#C TS23552 [1,0,0,0,0,0|1,0,1]=3 20 B15R0.70 CCCCCCCCCCCCCCC#N TS50359 [1,0,0,0,0,0|1,0,1]=3 21 B15R0.70 CCCCCCCCCCCCCCC=C TS23899 [1,0,0,0,0,0|1,0,0]=2 22 B15R0.70 CCCCCCCCCCCCCCC=O TS24250 [1,0,0,0,0,0|0,0,0]=1 23 B15R0.70 CCCCCCCCCCCCCCCBr TS58178 [1,0,0,0,0,0|1,0,1]=3 24 B15R0.70 CCCCCCCCCCCCCCCC TS24264 [1,0,0,0,0,0|1,0,1]=3 25 B15R0.70 CCCCCCCCCCCCCCCN TS24410 [1,0,0,0,0,0|1,0,1]=3 26 B15R0.70 CCCCCCCCCCCCCCCO TS24593 [1,0,0,0,0,0|0,0,1]=2 27 B15R0.70 CCCCCCCCCCCCCCCS TS62076 [1,0,0,0,0,0|0,1,1]=3 28 B15R0.70 CCCCCCCCCCCCCCSC TS62075 [1,0,0,0,0,0|2,0,0]=3 29 B15R0.70 CCCCCCCCCCCCOCCO TS24954 [1,0,0,0,0,0|1,0,1]=3 30 B15R0.70 CCCCCCCCCCCCSCC#N TS26724 [1,0,0,0,0,0|2,0,1]=4 31 B15R0.164 B(O)(O)OCCCCCCCCCCCC TS24841 [1,0,0,0,0,0|2,0,1]=4 32 B15R0.164 CCCCC=CCCCCCCCC(=O)O TS52383 [1,0,0,0,0,0|0,0,2]=3 33 B15R0.164 CCCCC=CCCCCCCCC(=O)O TS52385 [1,0,0,0,0,0|0,0,2]=3 34 B15R0.164 CCCCCCCCCCCCCC(=C)C TS23898 [1,0,0,0,0,0|2,0,0]=3 35 B15R0.164 CCCCCCCCCCCCCC(=O)Cl TS27545 [1,0,0,0,0,0|1,0,0]=2 36 B15R0.164 CCCCCCCCCCCCCC(=O)N TS24401 [1,0,0,0,0,0|1,0,0]=2 37 B15R0.164 CCCCCCCCCCCCCC(=O)O TS53074 [1,0,0,0,0,0|0,0,0]=1 38 B15R0.164 CCCCCCCCCCCCCC(=O)O TS65246 [1,0,0,0,0,0|0,0,0]=1 39 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] TS62893 [1,0,0,0,0,0|0,0,1]=2 40 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] TS72380 [1,0,0,0,0,0|0,0,1]=2 41 B15R0.164 CCCCCCCCCCCCCC(C)C TS24263 [1,0,0,0,0,0|2,0,1]=4 42 B15R0.164 CCCCCCCCCCCCCC(C)O TS24595 [1,0,0,0,0,0|1,0,1]=3 43 B15R0.164 CCCCCCCCCCCCCN(C)C TS24409 [1,0,0,0,0,0|3,0,0]=4 44 B15R0.164 CCCCCCCCCCCCNC(=N)N TS35087 [1,0,0,0,0,0|3,0,0]=4 45 B15R0.164 CCCCCCCCCCCCOC(=O)C TS52722 [1,0,0,0,0,0|2,0,0]=3 46 B15R0.164 CCCCCCCCCCCCOC(=O)Cl TS62665 [1,0,0,0,0,0|2,0,0]=3 47 B15R0.164 CCCCCCCCCCCCSC(=N)N TS34267 [1,0,0,0,0,0|3,0,0]=4 48 B15R0.164 CCCCCCCCCCCSCC(=O)O TS62339 [1,0,0,0,0,0|1,0,0]=2 49 B15R0.164 CCCCCCCCCCOCCC(=O)O TS53063 [1,0,0,0,0,0|1,0,0]=2 50 B15R0.164 CCCOCCCCCCCCCC(=O)O TS53056 [1,0,0,0,0,0|1,0,0]=2 51 B15R0.164 CNCCCCCCCCCCCC(=O)O TS52890 [1,0,0,0,0,0|1,0,0]=2 52 B15R0.164 COCCCCCCCCCCCC(=O)O TS53064 [1,0,0,0,0,0|1,0,0]=2 53 B17R0.43 C(CCCCCCCBr)CCCCCCC(=O)O TS77281 [0,1,0,0,0,0|0,0,0]=1 54 B17R0.43 C(CCCCCCCO)CCCCCCC(=O)O TS68180 [0,1,0,0,0,0|0,0,0]=1 55 B17R0.43 CCC=CCCCCCCCCCCOC(=O)C TS67633 [0,1,0,0,0,0|1,0,2]=4 56 B17R0.43 CCC=CCCCCCCCCCCOC(=O)C TS67638 [0,1,0,0,0,0|1,0,2]=4 57 B17R0.43 CCCCC=CCCCCCCCCOC(=O)C TS67637 [0,1,0,0,0,0|1,0,2]=4 58 B17R0.43 CCCCCCC=CCCCCCCCC(=O)Cl TS33451 [0,1,0,0,0,0|1,0,1]=3 59 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O TS67643 [0,1,0,0,0,0|0,0,1]=2 60 B17R0.43 CCCCCCCCC#CC#CCCCC(=O)O TS27806 [0,1,0,0,0,0|0,0,3]=4 61 B17R0.43 CCCCCCCCC=CCCCCOC(=O)C TS67646 [0,1,0,0,0,0|1,0,2]=4 62 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O TS67634 [0,1,0,0,0,0|0,0,1]=2 63 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl TS33653 [0,1,0,0,0,0|1,0,0]=2 64 B17R0.43 CCCCCCCCCCCCCCCC(=O)N TS28822 [0,1,0,0,0,0|1,0,0]=2 65 B17R0.43 CCCCCCCCCCCCCCCC(=O)O TS28971 [0,1,0,0,0,0|0,0,0]=1 66 B17R0.43 CCCCCCCCCCCCCCCC(=O)O TS29099 [0,1,0,0,0,0|0,0,0]=1 67 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS29823 [0,1,0,0,0,0|0,0,1]=2 68 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS54183 [0,1,0,0,0,0|0,0,1]=2 69 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS58506 [0,1,0,0,0,0|0,0,1]=2 70 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS75420 [0,1,0,0,0,0|0,0,1]=2 71 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS83940 [0,1,0,0,0,0|0,0,1]=2 72 B17R0.43 CCCCCCCCCCCCCCCC(=S)O TS57976 [0,1,0,0,0,0|0,1,0]=2 73 B17R0.43 CCCCCCCCCCCCCCCC(C)C TS28689 [0,1,0,0,0,0|2,0,1]=4 74 B17R0.43 CCCCCCCCCCCCCCOC(=O)Cl TS31186 [0,1,0,0,0,0|1,0,0]=2 75 B17R0.116 CCCCCCCCCCCCC(CC(=O)O)O TS68179 [0,1,0,0,0,0|0,0,0]=1 76 B17R0.195 CCCCC=CCCCCCCCCC(=O)OC TS67635 [0,1,0,0,0,0|0,0,2]=3 77 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr TS61493 [0,1,0,0,0,0|1,0,0]=2 78 B17R0.195 CCCCCCCCCCCCCCC(=O)OC TS67897 [0,1,0,0,0,0|0,0,0]=1 79 B17R0.195 CCCCCCCCCCCCCCC(C)CC TS28691 [0,1,0,0,0,0|2,0,1]=4 80 B17R0.195 CCCCCCCCCCCCCCC(CO)O TS68196 [0,1,0,0,0,0|0,0,2]=3 81 B17R0.195 CCCCCCCCCCCCCC[C@@H](CO)O TS68193 [0,1,0,0,0,0|0,0,2]=3 82 B17R0.195 CCCCCCCCCCCCCC[C@H](CO)O TS68195 [0,1,0,0,0,0|0,0,2]=3 83 B17R0.195 CCCCCCCCCCCCCOC(=O)C=C TS67632 [0,1,0,0,0,0|2,0,0]=3 84 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O TS18787 [0,1,0,0,0,0|1,0,0]=2 85 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] TS74628 [0,1,0,0,0,0|1,0,1]=3 86 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C TS35448 [0,1,0,0,0,0|3,0,0]=4 87 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C TS78280 [0,1,0,0,0,0|3,0,0]=4 88 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C TS93089 [0,1,0,0,0,0|3,0,0]=4 89 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)[O-] TS29104 [0,1,0,0,0,0|2,0,1]=4 90 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)O TS29253 [0,1,0,0,0,0|1,0,1]=3 91 B17R0.1713 C(CCCCCCC(=O)O)CCCCCC(=O)O TS39960 [0,1,0,0,0,0|1,0,1]=3 92 B17R0.1713 CC(=O)CCCCCCCCCCCCC(=O)C TS67641 [0,1,0,0,0,0|1,0,1]=3 93 B17R0.1713 CC(C)CCCCCCCCCCCCC(=O)O TS67896 [0,1,0,0,0,0|0,0,0]=1 94 B17R0.14245 CCCCCCCCCCCCCC(C(=O)O)Br TS61644 [0,1,0,0,0,0|0,0,0]=1 95 B17R0.14245 CCCCCCCCCCCCCC(C(=O)O)O TS68183 [0,1,0,0,0,0|0,0,0]=1 96 B17R0.14245 CCCCCCCCCCCCCC(C)C(=O)O TS67905 [0,1,0,0,0,0|0,0,0]=1 97 B17R0.14363 CCC(C)CCCCCCCCCCCC(=O)O TS67899 [0,1,0,0,0,0|0,0,0]=1 98 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 TS57150 [0,0,0,1,0,0|1,0,0]=2 99 B17R1.11298 C1CCCCCCCC(=O)CCCCCCC1 TS56862 [0,0,0,1,0,0|1,0,0]=2 100 B17R1.11298 C1CCCCCCCOC(=O)CCCCCC1 TS57446 [0,0,0,1,0,0|0,0,0]=1 101 B17R1.29093 CCCCCCCCCCCCCCC1CO1 TS26588 [0,0,0,1,0,0|1,0,1]=3 102 B17R1.29093 CCCCCCCCCCCCCC[C@@H]1CO1 TS26587 [0,0,0,1,0,0|1,0,1]=3 103 B17R1.29093 CCCCCCCCCCCCOCC1CO1 TS57756 [0,0,0,1,0,0|2,0,1]=4 104 B14R0.392 C#CCCCCCCCCCCCCO TS21004 [2,0,0,0,0,0|0,0,2]=4 105 B14R0.392 C(CCCCCCO)CCCCCCBr TS54225 [2,0,0,0,0,0|1,0,0]=3 106 B14R0.392 C(CCCCCCO)CCCCCCO TS46751 [2,0,0,0,0,0|1,0,0]=3 107 B14R0.392 CCC=CCCCCCCCCCC=O TS20999 [2,0,0,0,0,0|0,0,2]=4 108 B14R0.392 CCC=CCCCCCCCCCC=O TS43871 [2,0,0,0,0,0|0,0,2]=4 109 B14R0.392 CCC=CCCCCCCCCCCO TS44246 [2,0,0,0,0,0|0,0,2]=4 110 B14R0.392 CCCCC#CCCCCCCCCO TS21003 [2,0,0,0,0,0|0,0,2]=4 111 B14R0.392 CCCCC=CCCCCCCCC=O TS21005 [2,0,0,0,0,0|0,0,2]=4 112 B14R0.392 CCCCC=CCCCCCCCCO TS44245 [2,0,0,0,0,0|0,0,2]=4 113 B14R0.392 CCCCCCC#CCCCCCCO TS43872 [2,0,0,0,0,0|0,0,2]=4 114 B14R0.392 CCCCCCC=CCCCCCC=O TS21002 [2,0,0,0,0,0|0,0,2]=4 115 B14R0.392 CCCCCCCCCCC#CCCO TS21001 [2,0,0,0,0,0|0,0,2]=4 116 B14R0.392 CCCCCCCCCCCC=CC=O TS21000 [2,0,0,0,0,0|0,0,2]=4 117 B14R0.392 CCCCCCCCCCCCCC#C TS20648 [2,0,0,0,0,0|0,0,2]=4 118 B14R0.392 CCCCCCCCCCCCCC#N TS20787 [2,0,0,0,0,0|1,0,1]=4 119 B14R0.392 CCCCCCCCCCCCCC=C TS43882 [2,0,0,0,0,0|0,0,1]=3 120 B14R0.392 CCCCCCCCCCCCCCBr TS00042 [2,0,0,0,0,0|1,0,0]=3 121 B14R0.392 CCCCCCCCCCCCCCC TS21396 [2,0,0,0,0,0|0,0,1]=3 122 B14R0.392 CCCCCCCCCCCCCCCl TS25312 [2,0,0,0,0,0|1,0,0]=3 123 B14R0.392 CCCCCCCCCCCCCCF TS49162 [2,0,0,0,0,0|1,0,0]=3 124 B14R0.392 CCCCCCCCCCCCCCI TS61813 [2,0,0,0,0,0|1,0,0]=3 125 B14R0.392 CCCCCCCCCCCCCCN TS21547 [2,0,0,0,0,0|1,0,0]=3 126 B14R0.392 CCCCCCCCCCCCCCO TS44583 [2,0,0,0,0,0|0,0,0]=2 127 B14R0.392 CCCCCCCCCCCCCCS TS24969 [2,0,0,0,0,0|0,1,0]=3 128 B14R0.392 CCCCCCCCCCCCN=C=O TS44052 [2,0,0,0,0,0|1,0,1]=4 129 B14R0.392 CCCCCCCCCCCCOC=C TS44242 [2,0,0,0,0,0|1,0,1]=4 130 B14R0.392 CCCCCCCCCCOCCCN TS21918 [2,0,0,0,0,0|2,0,0]=4 131 B14R0.392 CCCCCCCCOCCOCCO TS49495 [2,0,0,0,0,0|2,0,0]=4 132 B14R0.392 CCCCCCCNCCCCCCC TS21546 [2,0,0,0,0,0|1,0,1]=4 133 B14R0.392 CCCCCCCOCCCCCCC TS44586 [2,0,0,0,0,0|1,0,1]=4 134 B14R0.392 CCCCCCCSCCCCCCC TS24968 [2,0,0,0,0,0|1,0,1]=4 135 B14R0.394 C#CCCCCCCCCCCC(=O)O TS43867 [2,0,0,0,0,0|0,0,2]=4 136 B14R0.394 C(CCCCCC(=O)O)CCCCC#N TS21166 [2,0,0,0,0,0|1,0,1]=4 137 B14R0.394 C(CCCCCC(=O)O)CCCCCBr TS54218 [2,0,0,0,0,0|1,0,0]=3 138 B14R0.394 C(CCCCCC(=O)O)CCCCCN TS21909 [2,0,0,0,0,0|1,0,0]=3 139 B14R0.394 C(CCCCCC(=O)O)CCCCCO TS22107 [2,0,0,0,0,0|1,0,0]=3 140 B14R0.394 C=CCCCCCCCCCCC(=O)O TS44228 [2,0,0,0,0,0|0,0,2]=4 141 B14R0.394 CCCCCCCCCCC=CC(=O)O TS44233 [2,0,0,0,0,0|0,0,2]=4 142 B14R0.394 CCCCCCCCCCCCC(=O)C TS44248 [2,0,0,0,0,0|1,0,0]=3 143 B14R0.394 CCCCCCCCCCCCC(=O)Cl TS25311 [2,0,0,0,0,0|1,0,0]=3 144 B14R0.394 CCCCCCCCCCCCC(=O)O TS21757 [2,0,0,0,0,0|0,0,0]=2 145 B14R0.394 CCCCCCCCCCCCC(C)O TS44581 [2,0,0,0,0,0|1,0,1]=4 146 B14R0.394 CCCCCCCCCCCCS(=O)C TS53380 [2,0,0,0,0,0|2,0,0]=4 147 B14R0.394 CCCCCCCCCCCC[N+](=O)[O-] TS21912 [2,0,0,0,0,0|1,0,1]=4 148 B14R0.394 CCCCCCCCCCCOC(=O)C TS21754 [2,0,0,0,0,0|2,0,0]=4 149 B16R0.61 CCCCCCCCCCCCC(C)CCC TS26590 [1,1,0,0,0,0|1,0,1]=4 150 B16R0.61 CCCCCCCCCCCCC(CCC)O TS57770 [1,1,0,0,0,0|1,0,1]=4 151 B16R0.136 CCCCCCCCC(CCCCCCC)O TS57769 [1,1,0,0,0,0|1,0,1]=4 152 B16R0.303 C#CCCCCCCCCCCCCCCO TS57151 [1,1,0,0,0,0|0,0,2]=4 153 B16R0.303 C(CCCCCCCO)CCCCCCCBr TS34610 [1,1,0,0,0,0|0,0,1]=3 154 B16R0.303 C(CCCCCCCO)CCCCCCCO TS46752 [1,1,0,0,0,0|0,0,1]=3 155 B16R0.303 CCCCC#CCCCCCCCCCCO TS57149 [1,1,0,0,0,0|0,0,2]=4 156 B16R0.303 CCCCCCC#CCCCCCCCCO TS57146 [1,1,0,0,0,0|0,0,2]=4 157 B16R0.303 CCCCCCC=CCCCCCCCCO TS26581 [1,1,0,0,0,0|0,0,2]=4 158 B16R0.303 CCCCCCCCC#CCCCCCCO TS57148 [1,1,0,0,0,0|0,0,2]=4 159 B16R0.303 CCCCCCCCCCCCCCCC#C TS25957 [1,1,0,0,0,0|1,0,1]=4 160 B16R0.303 CCCCCCCCCCCCCCCC=C TS26263 [1,1,0,0,0,0|1,0,0]=3 161 B16R0.303 CCCCCCCCCCCCCCCCBr TS00418 [1,1,0,0,0,0|1,0,1]=4 162 B16R0.303 CCCCCCCCCCCCCCCCC TS26591 [1,1,0,0,0,0|1,0,1]=4 163 B16R0.303 CCCCCCCCCCCCCCCCC TS61610 [1,1,0,0,0,0|1,0,1]=4 164 B16R0.303 CCCCCCCCCCCCCCCCCl TS68440 [1,1,0,0,0,0|1,0,1]=4 165 B16R0.303 CCCCCCCCCCCCCCCCI TS64816 [1,1,0,0,0,0|1,0,1]=4 166 B16R0.303 CCCCCCCCCCCCCCCCN TS26730 [1,1,0,0,0,0|1,0,1]=4 167 B16R0.303 CCCCCCCCCCCCCCCCN TS29702 [1,1,0,0,0,0|1,0,1]=4 168 B16R0.303 CCCCCCCCCCCCCCCCO TS57773 [1,1,0,0,0,0|0,0,1]=3 169 B16R0.303 CCCCCCCCCCCCCCCCS TS29269 [1,1,0,0,0,0|0,1,1]=4 170 B16R0.303 CCCCCCCCCCCCCCC[Mg]Br TS61241 [1,1,0,0,0,0|1,0,1]=4 171 B16R0.303 CCCCCCCCCCCCCCN=C=O TS57276 [1,1,0,0,0,0|0,0,1]=3 172 B16R0.303 CCCCCCCCCCCCCCN=C=S TS67762 [1,1,0,0,0,0|0,1,1]=4 173 B16R0.303 CCCCCCCCCCCCNCCC#N TS26257 [1,1,0,0,0,0|1,0,1]=4 174 B16R0.303 CCCCCCCCCCCCOCCCN TS27055 [1,1,0,0,0,0|1,0,1]=4 175 B16R0.303 CCCCCCCCNCCCCCCCC TS26728 [1,1,0,0,0,0|1,0,1]=4 176 B16R0.303 CCCCCCCCOCCCCCCCC TS57768 [1,1,0,0,0,0|1,0,1]=4 177 B16R0.303 CCCCCCCCSCCCCCCCC TS29270 [1,1,0,0,0,0|1,0,1]=4 178 B16R0.303 CCCCCCCC[Sn+2]CCCCCCCC TS82646 [1,1,0,0,0,0|1,0,1]=4 179 B16R0.165 CCC(C)CCCCCCCCCCC(=O)O TS57762 [1,1,0,0,0,0|0,0,0]=2 180 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O TS62042 [1,1,0,0,0,0|1,0,1]=4 181 B16R0.224 CCCCCCCCCCCCC(C(=O)O)Br TS60651 [1,1,0,0,0,0|0,0,0]=2 182 B16R0.224 CCCCCCCCCCCCC(C(=O)O)O TS27214 [1,1,0,0,0,0|0,0,0]=2 183 B16R0.302 CCCCCCCCCCCC(CC(=O)O)O TS27215 [1,1,0,0,0,0|0,0,0]=2 184 B16R0.1188 CCCCCCCCCCCCCN(=O)(C)C TS27056 [1,1,0,0,0,0|2,0,0]=4 185 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O TS66875 [1,1,0,0,0,0|2,0,0]=4 186 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O TS67421 [1,1,0,0,0,0|2,0,0]=4 187 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O TS69745 [1,1,0,0,0,0|2,0,0]=4 188 B16R0.3288 C(CCCCCC(=O)O)CCCCCC(=O)O TS00287 [1,1,0,0,0,0|1,0,1]=4 189 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O TS57759 [1,1,0,0,0,0|0,0,0]=2 190 B18R0.114 CC(C)CCCCCCCCCCCCC(=O)OC TS30868 [0,2,0,0,0,0|0,0,0]=2 191 B18R0.114 CCC(C)CCCCCCCCCCCCC(=O)O TS30861 [0,2,0,0,0,0|0,0,0]=2 192 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC TS73795 [0,2,0,0,0,0|0,0,1]=3 193 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC TS73797 [0,2,0,0,0,0|0,0,1]=3 194 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC TS30864 [0,2,0,0,0,0|0,0,0]=2 195 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)Br TS78191 [0,2,0,0,0,0|0,0,0]=2 196 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)F TS33624 [0,2,0,0,0,0|0,0,0]=2 197 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)N TS09109 [0,2,0,0,0,0|0,0,0]=2 198 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)O TS33425 [0,2,0,0,0,0|0,0,0]=2 199 B18R0.174 CCCCCCCCCCCCCCC(C)C(=O)O TS30869 [0,2,0,0,0,0|0,0,0]=2 200 B18R0.174 CCCCCCCCCCCCCOC(=O)C(=C)C TS73794 [0,2,0,0,0,0|2,0,0]=4 201 B18R0.176 B(CCCCCCCCCCCCCCCC)(O)O TS30805 [0,2,0,0,0,0|1,0,1]=4 202 B18R0.176 C(CCCCCCCC(=O)O)CCCCCCCBr TS78192 [0,2,0,0,0,0|0,0,0]=2 203 B18R0.176 C(CCCCCCCC(=O)O)CCCCCCCO TS33422 [0,2,0,0,0,0|0,0,0]=2 204 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O TS73793 [0,2,0,0,0,0|0,0,0]=2 205 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O TS73796 [0,2,0,0,0,0|0,0,0]=2 206 B18R0.176 CCCCCCCCCCC#CC#CCCC(=O)O TS29837 [0,2,0,0,0,0|0,0,2]=4 207 B18R0.176 CCCCCCCCCCCCC#CC#CC(=O)O TS29838 [0,2,0,0,0,0|0,0,2]=4 208 B18R0.176 CCCCCCCCCCCCCCCCC(=O)C TS73808 [0,2,0,0,0,0|1,0,0]=3 209 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl TS57984 [0,2,0,0,0,0|1,0,0]=3 210 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O TS30871 [0,2,0,0,0,0|0,0,0]=2 211 B18R0.176 CCCCCCCCCCCCCCCCC(C)O TS30878 [0,2,0,0,0,0|1,0,1]=4 212 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C TS30862 [0,2,0,0,0,0|1,0,0]=3 213 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)[O-] TS76727 [0,2,0,0,0,0|1,0,1]=4 214 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] TS61296 [0,2,0,0,0,0|1,0,1]=4 215 B18R0.220 CCCCCCCCCCCCCC(CC(=O)O)O TS33424 [0,2,0,0,0,0|0,0,0]=2 216 B18R0.974 C(CCCCCCC(=O)O)CCCCCCC(=O)O TS00238 [0,2,0,0,0,0|0,0,1]=3 217 B18R0.974 CC(C)CCCCCCCCCCCCCC(=O)O TS30870 [0,2,0,0,0,0|0,0,0]=2 218 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(=O)O TS74152 [0,2,0,0,0,0|1,0,1]=4 219 B18R0.186 CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O TS74153 [0,2,0,0,0,0|1,0,1]=4 220 B18R0.186 CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O TS74154 [0,2,0,0,0,0|1,0,1]=4 221 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC TS30867 [0,2,0,0,0,0|0,0,0]=2 222 B18R0.110 CCCCCCCCCCCCCOC(=O)CCS TS57975 [0,2,0,0,0,0|1,1,0]=4 223 B18R0.15765 COC(=O)CCCCCCCCCCCC(=O)OC TS74277 [0,2,0,0,0,0|1,0,1]=4 224 B16R1.662 CCCCCCCCN1CCCCCC1=O TS24046 [1,0,0,1,0,0|1,0,0]=3 225 B16R1.6680 CCCCCCCCCCC1CCOC1=O TS52392 [1,0,0,1,0,0|1,0,0]=3 226 B16R1.8816 C1CCCCCC(=O)CCC=CCCCC1 TS50207 [1,0,0,1,0,0|0,0,2]=4 227 B16R1.8816 C1CCCCCCCC(=O)CCCCCC1 TS50543 [1,0,0,1,0,0|0,0,0]=2 228 B16R1.8816 C1CCCCCCCC(CCCCCC1)O TS24252 [1,0,0,1,0,0|0,0,1]=3 229 B16R1.17455 CCCCCCCCCCCCC[C@@H]1CO1 TS24251 [1,0,0,1,0,0|0,0,1]=3 230 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 TS52388 [1,0,0,1,0,0|0,0,0]=2 231 B16R1.18167 CC(=O)OC1CCCCCCCCCCC1 TS52384 [1,0,0,1,0,0|2,0,0]=4 232 B18R1.17255 C1CCCCCC(=O)C(CCCC1)CCC(=O)O TS28669 [0,1,0,1,0,0|0,0,1]=3 233 B18R1.13035 CCCCCCCCCCCCCOCC1CO1 TS28970 [0,1,0,1,0,0|1,0,1]=4 234 B18R1.13791 C1CCCCC(=O)OCCCCCOCCCC1 TS28962 [0,1,0,1,0,0|0,0,0]=2 235 B18R1.13791 C1CCCCCCCC(=O)OCCCCCCC1 TS67636 [0,1,0,1,0,0|0,0,0]=2 236 B18R1.13791 C1CCCCCOCCCCOC(=O)CCCC1 TS28963 [0,1,0,1,0,0|0,0,0]=2 237 B18R1.13791 C1CCCCOCCCCCCOC(=O)CCC1 TS28960 [0,1,0,1,0,0|0,0,0]=2 238 B18R1.101472 C1CCCCCC(=O)OCCOC(=O)CCCC1 TS67884 [0,1,0,1,0,0|1,0,1]=4 239 B18R2.556536 C1CCC2C(C1)CCCC2CCCCC(=O)O TS26253 [0,0,0,2,0,0|0,0,0]=2 240 B18R2.32207 CCCCC1CCC2CCCCC2C1C(=O)O TS57126 [0,0,0,2,0,0|0,0,0]=2