0 B17R0.43 C(CCCCCCCBr)CCCCCCC(=O)O TS77281 [0,0,0,0,0,0|1,0,0]=1 1 B17R0.43 C(CCCCCCCO)CCCCCCC(=O)O TS68180 [0,0,0,0,0,0|1,0,0]=1 2 B17R0.43 CCC=CCCCCCCCCCCOC(=O)C TS67633 [0,0,0,0,0,0|2,0,2]=4 3 B17R0.43 CCC=CCCCCCCCCCCOC(=O)C TS67638 [0,0,0,0,0,0|2,0,2]=4 4 B17R0.43 CCCCC=CCCCCCCCCOC(=O)C TS67637 [0,0,0,0,0,0|2,0,2]=4 5 B17R0.43 CCCCCCC=CCCCCCCCC(=O)Cl TS33451 [0,0,0,0,0,0|1,0,2]=3 6 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O TS67643 [0,0,0,0,0,0|0,0,2]=2 7 B17R0.43 CCCCCCCCC#CC#CCCCC(=O)O TS27806 [0,0,0,0,0,0|0,0,4]=4 8 B17R0.43 CCCCCCCCC=CCCCCOC(=O)C TS67646 [0,0,0,0,0,0|2,0,2]=4 9 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O TS67634 [0,0,0,0,0,0|0,0,2]=2 10 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl TS33653 [0,0,0,0,0,0|1,0,0]=1 11 B17R0.43 CCCCCCCCCCCCCCCC(=O)N TS28822 [0,0,0,0,0,0|1,0,0]=1 12 B17R0.43 CCCCCCCCCCCCCCCC(=O)O TS28971 [0,0,0,0,0,0|0,0,0]=0 13 B17R0.43 CCCCCCCCCCCCCCCC(=O)O TS29099 [0,0,0,0,0,0|0,0,0]=0 14 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS29823 [0,0,0,0,0,0|0,0,1]=1 15 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS54183 [0,0,0,0,0,0|0,0,1]=1 16 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS58506 [0,0,0,0,0,0|0,0,1]=1 17 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS75420 [0,0,0,0,0,0|0,0,1]=1 18 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS83940 [0,0,0,0,0,0|0,0,1]=1 19 B17R0.43 CCCCCCCCCCCCCCCC(=S)O TS57976 [0,0,0,0,0,0|0,1,0]=1 20 B17R0.43 CCCCCCCCCCCCCCCC(C)C TS28689 [0,0,0,0,0,0|2,0,1]=3 21 B17R0.43 CCCCCCCCCCCCCCOC(=O)Cl TS31186 [0,0,0,0,0,0|2,0,0]=2 22 B16R0.274 B(CCCCCCCCCCCCCC)(O)O TS57662 [1,0,0,0,0,0|1,0,1]=3 23 B16R0.274 CCCCC=CCCCCCCCCC(=O)O TS57448 [1,0,0,0,0,0|0,0,2]=3 24 B16R0.274 CCCCCCCCCCCCCCC(=O)C TS26585 [1,0,0,0,0,0|1,0,0]=2 25 B16R0.274 CCCCCCCCCCCCCCC(=O)Cl TS68439 [1,0,0,0,0,0|1,0,0]=2 26 B16R0.274 CCCCCCCCCCCCCCC(=O)O TS57761 [1,0,0,0,0,0|0,0,0]=1 27 B16R0.274 CCCCCCCCCCCCCCC(C)C TS26589 [1,0,0,0,0,0|2,0,1]=4 28 B16R0.274 CCCCCCCCCCCCCCC(C)O TS57772 [1,0,0,0,0,0|1,0,1]=3 29 B16R0.274 CCCCCCCCCCCCCCN(C)C TS26731 [1,0,0,0,0,0|3,0,0]=4 30 B16R0.274 CCCCCCCCCCCCCOC(=O)C TS57758 [1,0,0,0,0,0|2,0,0]=3 31 B16R0.303 C#CCCCCCCCCCCCCCCO TS57151 [1,0,0,0,0,0|0,0,3]=4 32 B16R0.303 C(CCCCCCCO)CCCCCCCBr TS34610 [1,0,0,0,0,0|1,0,1]=3 33 B16R0.303 C(CCCCCCCO)CCCCCCCO TS46752 [1,0,0,0,0,0|1,0,1]=3 34 B16R0.303 CCCCC#CCCCCCCCCCCO TS57149 [1,0,0,0,0,0|0,0,3]=4 35 B16R0.303 CCCCCCC#CCCCCCCCCO TS57146 [1,0,0,0,0,0|0,0,3]=4 36 B16R0.303 CCCCCCC=CCCCCCCCCO TS26581 [1,0,0,0,0,0|0,0,3]=4 37 B16R0.303 CCCCCCCCC#CCCCCCCO TS57148 [1,0,0,0,0,0|0,0,3]=4 38 B16R0.303 CCCCCCCCCCCCCCCC#C TS25957 [1,0,0,0,0,0|1,0,1]=3 39 B16R0.303 CCCCCCCCCCCCCCCC=C TS26263 [1,0,0,0,0,0|1,0,0]=2 40 B16R0.303 CCCCCCCCCCCCCCCCBr TS00418 [1,0,0,0,0,0|1,0,1]=3 41 B16R0.303 CCCCCCCCCCCCCCCCC TS26591 [1,0,0,0,0,0|1,0,1]=3 42 B16R0.303 CCCCCCCCCCCCCCCCC TS61610 [1,0,0,0,0,0|1,0,1]=3 43 B16R0.303 CCCCCCCCCCCCCCCCCl TS68440 [1,0,0,0,0,0|1,0,1]=3 44 B16R0.303 CCCCCCCCCCCCCCCCI TS64816 [1,0,0,0,0,0|1,0,1]=3 45 B16R0.303 CCCCCCCCCCCCCCCCN TS26730 [1,0,0,0,0,0|1,0,1]=3 46 B16R0.303 CCCCCCCCCCCCCCCCN TS29702 [1,0,0,0,0,0|1,0,1]=3 47 B16R0.303 CCCCCCCCCCCCCCCCO TS57773 [1,0,0,0,0,0|0,0,1]=2 48 B16R0.303 CCCCCCCCCCCCCCCCS TS29269 [1,0,0,0,0,0|0,1,1]=3 49 B16R0.303 CCCCCCCCCCCCCCC[Mg]Br TS61241 [1,0,0,0,0,0|2,0,0]=3 50 B16R0.303 CCCCCCCCCCCCCCN=C=O TS57276 [1,0,0,0,0,0|1,0,1]=3 51 B16R0.303 CCCCCCCCCCCCCCN=C=S TS67762 [1,0,0,0,0,0|1,1,1]=4 52 B16R0.303 CCCCCCCCCCCCNCCC#N TS26257 [1,0,0,0,0,0|2,0,1]=4 53 B16R0.303 CCCCCCCCCCCCOCCCN TS27055 [1,0,0,0,0,0|2,0,1]=4 54 B16R0.303 CCCCCCCCNCCCCCCCC TS26728 [1,0,0,0,0,0|2,0,1]=4 55 B16R0.303 CCCCCCCCOCCCCCCCC TS57768 [1,0,0,0,0,0|2,0,1]=4 56 B16R0.303 CCCCCCCCSCCCCCCCC TS29270 [1,0,0,0,0,0|2,0,1]=4 57 B16R0.303 CCCCCCCC[Sn+2]CCCCCCCC TS82646 [1,0,0,0,0,0|2,0,1]=4 58 B18R0.114 CCC(C)CCCCCCCCCCCCC(=O)O TS30861 [0,1,0,0,0,0|0,0,0]=1 59 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC TS73795 [0,1,0,0,0,0|0,0,2]=3 60 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC TS73797 [0,1,0,0,0,0|0,0,2]=3 61 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC TS30864 [0,1,0,0,0,0|0,0,0]=1 62 B18R0.171 CCCCCCCCCCCCCCCC(C)CC TS30595 [0,1,0,0,0,0|2,0,1]=4 63 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)Br TS78191 [0,1,0,0,0,0|0,0,0]=1 64 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)F TS33624 [0,1,0,0,0,0|0,0,0]=1 65 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)N TS09109 [0,1,0,0,0,0|0,0,0]=1 66 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)O TS33425 [0,1,0,0,0,0|0,0,0]=1 67 B18R0.174 CCCCCCCCCCCCCCC(C)C(=O)O TS30869 [0,1,0,0,0,0|0,0,0]=1 68 B18R0.176 B(CCCCCCCCCCCCCCCC)(O)O TS30805 [0,1,0,0,0,0|1,0,1]=3 69 B18R0.176 C(CCCCCCCC(=O)O)CCCCCCCBr TS78192 [0,1,0,0,0,0|0,0,0]=1 70 B18R0.176 C(CCCCCCCC(=O)O)CCCCCCCO TS33422 [0,1,0,0,0,0|0,0,0]=1 71 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O TS73793 [0,1,0,0,0,0|0,0,1]=2 72 B18R0.176 CC(C)CCCCCCCCCCCCCCCO TS30876 [0,1,0,0,0,0|2,0,1]=4 73 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O TS73796 [0,1,0,0,0,0|0,0,1]=2 74 B18R0.176 CCCCCCCCCCC#CC#CCCC(=O)O TS29837 [0,1,0,0,0,0|0,0,3]=4 75 B18R0.176 CCCCCCCCCCCCC#CC#CC(=O)O TS29838 [0,1,0,0,0,0|0,0,3]=4 76 B18R0.176 CCCCCCCCCCCCCCCCC(=O)C TS73808 [0,1,0,0,0,0|1,0,0]=2 77 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl TS57984 [0,1,0,0,0,0|1,0,0]=2 78 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O TS30871 [0,1,0,0,0,0|0,0,0]=1 79 B18R0.176 CCCCCCCCCCCCCCCCC(C)C TS30594 [0,1,0,0,0,0|2,0,1]=4 80 B18R0.176 CCCCCCCCCCCCCCCCC(C)O TS30878 [0,1,0,0,0,0|1,0,1]=3 81 B18R0.176 CCCCCCCCCCCCCCCCN(C)C TS73922 [0,1,0,0,0,0|3,0,0]=4 82 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C TS30862 [0,1,0,0,0,0|1,0,0]=2 83 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)[O-] TS76727 [0,1,0,0,0,0|1,0,1]=3 84 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] TS61296 [0,1,0,0,0,0|2,0,1]=4 85 B18R0.220 CCCCCCCCCCCCCC(CC(=O)O)O TS33424 [0,1,0,0,0,0|0,0,0]=1 86 B18R0.974 C(CCCCCCC(=O)O)CCCCCCC(=O)O TS00238 [0,1,0,0,0,0|1,0,1]=3 87 B18R0.974 CC(C)CCCCCCCCCCCCCC(=O)O TS30870 [0,1,0,0,0,0|0,0,0]=1 88 B18R1.13035 CCCCCCCCCCCCCOCC1CO1 TS28970 [0,0,0,1,0,0|2,0,1]=4 89 B18R1.13791 C1CCCCC(=O)OCCCCCOCCCC1 TS28962 [0,0,0,1,0,0|1,0,0]=2 90 B18R1.13791 C1CCCCCCCC(=O)OCCCCCCC1 TS67636 [0,0,0,1,0,0|0,0,0]=1 91 B18R1.13791 C1CCCCCOCCCCOC(=O)CCCC1 TS28963 [0,0,0,1,0,0|1,0,0]=2 92 B18R1.13791 C1CCCCOCCCCCCOC(=O)CCC1 TS28960 [0,0,0,1,0,0|1,0,0]=2 93 B18R1.17255 C1CCCCCC(=O)C(CCCC1)CCC(=O)O TS28669 [0,0,0,1,0,0|1,0,1]=3 94 B15R0.70 C#CCCCCCCCCCCCCCO TS50542 [2,0,0,0,0,0|0,0,2]=4 95 B15R0.70 C(CCCCCCCBr)CCCCCCBr TS79320 [2,0,0,0,0,0|2,0,0]=4 96 B15R0.70 C(CCCCCCCBr)CCCCCCO TS35606 [2,0,0,0,0,0|1,0,0]=3 97 B15R0.70 C(CCCCCCCO)CCCCCCO TS53079 [2,0,0,0,0,0|1,0,0]=3 98 B15R0.70 CCCCCCCCCCCCCCC#C TS23552 [2,0,0,0,0,0|0,0,2]=4 99 B15R0.70 CCCCCCCCCCCCCCC#N TS50359 [2,0,0,0,0,0|1,0,1]=4 100 B15R0.70 CCCCCCCCCCCCCCC=C TS23899 [2,0,0,0,0,0|0,0,1]=3 101 B15R0.70 CCCCCCCCCCCCCCC=O TS24250 [2,0,0,0,0,0|0,0,0]=2 102 B15R0.70 CCCCCCCCCCCCCCCBr TS58178 [2,0,0,0,0,0|1,0,0]=3 103 B15R0.70 CCCCCCCCCCCCCCCC TS24264 [2,0,0,0,0,0|0,0,1]=3 104 B15R0.70 CCCCCCCCCCCCCCCN TS24410 [2,0,0,0,0,0|1,0,0]=3 105 B15R0.70 CCCCCCCCCCCCCCCO TS24593 [2,0,0,0,0,0|0,0,0]=2 106 B15R0.70 CCCCCCCCCCCCCCCS TS62076 [2,0,0,0,0,0|0,1,0]=3 107 B15R0.70 CCCCCCCCCCCCCCSC TS62075 [2,0,0,0,0,0|1,0,1]=4 108 B15R0.70 CCCCCCCCCCCCOCCO TS24954 [2,0,0,0,0,0|1,0,0]=3 109 B15R0.164 CCCCC=CCCCCCCCC(=O)O TS52383 [2,0,0,0,0,0|0,0,2]=4 110 B15R0.164 CCCCC=CCCCCCCCC(=O)O TS52385 [2,0,0,0,0,0|0,0,2]=4 111 B15R0.164 CCCCCCCCCCCCCC(=C)C TS23898 [2,0,0,0,0,0|2,0,0]=4 112 B15R0.164 CCCCCCCCCCCCCC(=O)Cl TS27545 [2,0,0,0,0,0|1,0,0]=3 113 B15R0.164 CCCCCCCCCCCCCC(=O)N TS24401 [2,0,0,0,0,0|1,0,0]=3 114 B15R0.164 CCCCCCCCCCCCCC(=O)O TS53074 [2,0,0,0,0,0|0,0,0]=2 115 B15R0.164 CCCCCCCCCCCCCC(=O)O TS65246 [2,0,0,0,0,0|0,0,0]=2 116 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] TS62893 [2,0,0,0,0,0|0,0,1]=3 117 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] TS72380 [2,0,0,0,0,0|0,0,1]=3 118 B15R0.164 CCCCCCCCCCCCCC(C)O TS24595 [2,0,0,0,0,0|1,0,1]=4 119 B15R0.164 CCCCCCCCCCCCOC(=O)C TS52722 [2,0,0,0,0,0|2,0,0]=4 120 B15R0.164 CCCCCCCCCCCCOC(=O)Cl TS62665 [2,0,0,0,0,0|2,0,0]=4 121 B15R0.164 CCCCCCCCCCCSCC(=O)O TS62339 [2,0,0,0,0,0|1,0,0]=3 122 B15R0.164 CCCCCCCCCCOCCC(=O)O TS53063 [2,0,0,0,0,0|1,0,0]=3 123 B15R0.164 CCCOCCCCCCCCCC(=O)O TS53056 [2,0,0,0,0,0|1,0,0]=3 124 B15R0.164 CNCCCCCCCCCCCC(=O)O TS52890 [2,0,0,0,0,0|1,0,0]=3 125 B15R0.164 COCCCCCCCCCCCC(=O)O TS53064 [2,0,0,0,0,0|1,0,0]=3 126 B17R0.116 CCCCCCCCCCCCC(CC(=O)O)O TS68179 [1,1,0,0,0,0|0,0,0]=2 127 B17R0.195 CCCCC=CCCCCCCCCC(=O)OC TS67635 [1,1,0,0,0,0|0,0,2]=4 128 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr TS61493 [1,1,0,0,0,0|1,0,0]=3 129 B17R0.195 CCCCCCCCCCCCCCC(=O)OC TS67897 [1,1,0,0,0,0|0,0,0]=2 130 B17R0.195 CCCCCCCCCCCCCCC(CO)O TS68196 [1,1,0,0,0,0|0,0,2]=4 131 B17R0.195 CCCCCCCCCCCCCC[C@@H](CO)O TS68193 [1,1,0,0,0,0|0,0,2]=4 132 B17R0.195 CCCCCCCCCCCCCC[C@H](CO)O TS68195 [1,1,0,0,0,0|0,0,2]=4 133 B17R0.195 CCCCCCCCCCCCCOC(=O)C=C TS67632 [1,1,0,0,0,0|2,0,0]=4 134 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O TS18787 [1,1,0,0,0,0|1,0,0]=3 135 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] TS74628 [1,1,0,0,0,0|1,0,1]=4 136 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)O TS29253 [1,1,0,0,0,0|1,0,1]=4 137 B17R0.1713 C(CCCCCCC(=O)O)CCCCCC(=O)O TS39960 [1,1,0,0,0,0|1,0,1]=4 138 B17R0.1713 CC(=O)CCCCCCCCCCCCC(=O)C TS67641 [1,1,0,0,0,0|1,0,1]=4 139 B17R0.1713 CC(C)CCCCCCCCCCCCC(=O)O TS67896 [1,1,0,0,0,0|0,0,0]=2 140 B17R0.14245 CCCCCCCCCCCCCC(C(=O)O)Br TS61644 [1,1,0,0,0,0|0,0,0]=2 141 B17R0.14245 CCCCCCCCCCCCCC(C(=O)O)O TS68183 [1,1,0,0,0,0|0,0,0]=2 142 B17R0.14245 CCCCCCCCCCCCCC(C)C(=O)O TS67905 [1,1,0,0,0,0|0,0,0]=2 143 B17R0.14363 CCC(C)CCCCCCCCCCCC(=O)O TS67899 [1,1,0,0,0,0|0,0,0]=2 144 B17R0.104 CCCCCCCCC(CCCCCCCC)O TS67916 [1,1,0,0,0,0|1,0,1]=4 145 B17R0.117 C(CCCCCCCCBr)CCCCCCCBr TS67302 [1,1,0,0,0,0|1,0,1]=4 146 B17R0.117 C(CCCCCCCCBr)CCCCCCCO TS77296 [1,1,0,0,0,0|0,0,1]=3 147 B17R0.117 C(CCCCCCCCO)CCCCCCCO TS68194 [1,1,0,0,0,0|0,0,1]=3 148 B17R0.117 C(CCCCCCCCS)CCCCCCCO TS30958 [1,1,0,0,0,0|0,0,1]=3 149 B17R0.117 CCCCCCCCCCCCCCCCC#C TS62915 [1,1,0,0,0,0|1,0,1]=4 150 B17R0.117 CCCCCCCCCCCCCCCCC#N TS63027 [1,1,0,0,0,0|1,0,1]=4 151 B17R0.117 CCCCCCCCCCCCCCCCC=C TS28386 [1,1,0,0,0,0|1,0,0]=3 152 B17R0.117 CCCCCCCCCCCCCCCCCBr TS61503 [1,1,0,0,0,0|1,0,1]=4 153 B17R0.117 CCCCCCCCCCCCCCCCCC TS28692 [1,1,0,0,0,0|1,0,1]=4 154 B17R0.117 CCCCCCCCCCCCCCCCCN TS67766 [1,1,0,0,0,0|1,0,1]=4 155 B17R0.117 CCCCCCCCCCCCCCCCCO TS67917 [1,1,0,0,0,0|0,0,1]=3 156 B17R0.117 CCCCCCCCCCCCCCCCCS TS74293 [1,1,0,0,0,0|0,1,1]=4 157 B17R0.117 CCCCCCCCCCCCCCCCC[Na] TS79456 [1,1,0,0,0,0|1,0,1]=4 158 B17R0.117 CCCCCCCCCCCCCCCCSC TS74292 [1,1,0,0,0,0|0,1,1]=4 159 B17R0.117 CCCCCCCCCCCCCCOCCO TS68192 [1,1,0,0,0,0|0,0,1]=3 160 B17R0.250 CCCCCCCCCCCCCC(CCC)O TS67919 [1,1,0,0,0,0|1,0,1]=4 161 B19R0.2958 C#CCCC[C@H](CCCCCCCCCCC(=O)O)O TS30590 [0,2,0,0,0,0|0,0,1]=3 162 B19R0.21221 CCC(C)CCCCCCCCCCCCC(=O)OC TS34780 [0,2,0,0,0,0|0,0,0]=2 163 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC TS54557 [0,2,0,0,0,0|0,0,1]=3 164 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC TS54778 [0,2,0,0,0,0|0,0,0]=2 165 B19R0.148 CCCCCCCCCCCCCCCC[C@@H](CO)O TS54958 [0,2,0,0,0,0|0,0,2]=4 166 B19R0.148 CCCCCCCCCCCCCCCC[C@H](CO)O TS54962 [0,2,0,0,0,0|0,0,2]=4 167 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr TS78974 [0,2,0,0,0,0|0,0,0]=2 168 B19R0.182 CCCCCCC=CCCCCCCCC(=O)OCC TS54561 [0,2,0,0,0,0|0,0,2]=4 169 B19R0.182 CCCCCCC=CCCCCCCCC(=O)OCC TS54563 [0,2,0,0,0,0|0,0,2]=4 170 B19R0.182 CCCCCCCCCCCCCCCC(=O)OC=C TS54560 [0,2,0,0,0,0|0,0,0]=2 171 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC TS34776 [0,2,0,0,0,0|0,0,0]=2 172 B19R0.21384 CC(C)CCCCCCCCCCCCCC(=O)OC TS54777 [0,2,0,0,0,0|0,0,0]=2 173 B19R0.21384 CCC(C)CCCCCCCCCCCCCC(=O)O TS34781 [0,2,0,0,0,0|0,0,0]=2 174 B19R0.25811 CCCCCCCCCCCCCCCC(OC)OC TS54960 [0,2,0,0,0,0|0,0,2]=4 175 B19R0.25812 [2H]C([2H])(CCCCCCCCCCCCCC)C(=O)[O-] TS58686 [0,2,0,0,0,0|0,0,1]=3 176 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O TS54369 [0,2,0,0,0,0|0,0,0]=2 177 B19R0.149 C(CCCCCCCCBr)CCCCCCCC(=O)O TS78975 [0,2,0,0,0,0|0,0,0]=2 178 B19R0.149 C(CCCCCCCCI)CCCCCCCC(=O)O TS69125 [0,2,0,0,0,0|0,0,0]=2 179 B19R0.149 C(CCCCCCCCO)CCCCCCCC(=O)O TS34993 [0,2,0,0,0,0|0,0,0]=2 180 B19R0.149 CCCCC#CCCCCCCCCCCOC(=O)C TS54367 [0,2,0,0,0,0|1,0,1]=4 181 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O TS54555 [0,2,0,0,0,0|0,0,0]=2 182 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O TS54556 [0,2,0,0,0,0|0,0,0]=2 183 B19R0.149 CCCCC=CCCCCCCCCCCOC(=O)C TS54554 [0,2,0,0,0,0|1,0,1]=4 184 B19R0.149 CCCCCC=CC=CCCCCCCCCC(=O)O TS93589 [0,2,0,0,0,0|0,0,2]=4 185 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O TS39920 [0,2,0,0,0,0|0,0,2]=4 186 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O TS54366 [0,2,0,0,0,0|0,0,2]=4 187 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O TS70086 [0,2,0,0,0,0|0,0,2]=4 188 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)Cl TS74657 [0,2,0,0,0,0|1,0,0]=3 189 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)O TS54564 [0,2,0,0,0,0|0,0,0]=2 190 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O TS54553 [0,2,0,0,0,0|0,0,0]=2 191 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O TS54370 [0,2,0,0,0,0|0,0,0]=2 192 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl TS74658 [0,2,0,0,0,0|1,0,0]=3 193 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl TS74659 [0,2,0,0,0,0|1,0,0]=3 194 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N TS34358 [0,2,0,0,0,0|1,0,0]=3 195 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS54559 [0,2,0,0,0,0|0,0,0]=2 196 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS54562 [0,2,0,0,0,0|0,0,0]=2 197 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS64263 [0,2,0,0,0,0|0,0,0]=2 198 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS66790 [0,2,0,0,0,0|0,0,0]=2 199 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS80992 [0,2,0,0,0,0|0,0,0]=2 200 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS81972 [0,2,0,0,0,0|0,0,0]=2 201 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS84962 [0,2,0,0,0,0|0,0,0]=2 202 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS61613 [0,2,0,0,0,0|0,0,1]=3 203 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS74547 [0,2,0,0,0,0|0,0,1]=3 204 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS74974 [0,2,0,0,0,0|0,0,1]=3 205 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS75115 [0,2,0,0,0,0|0,0,1]=3 206 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS75769 [0,2,0,0,0,0|0,0,1]=3 207 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS81457 [0,2,0,0,0,0|0,0,1]=3 208 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS84004 [0,2,0,0,0,0|0,0,1]=3 209 B19R0.149 CCCCCCCCCCC#CC#CCCCC(=O)O TS33853 [0,2,0,0,0,0|0,0,2]=4 210 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)O TS54558 [0,2,0,0,0,0|0,0,0]=2 211 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)O TS54565 [0,2,0,0,0,0|0,0,0]=2 212 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)[O-] TS75768 [0,2,0,0,0,0|0,0,1]=3 213 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C TS34461 [0,2,0,0,0,0|1,0,0]=3 214 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl TS74824 [0,2,0,0,0,0|1,0,0]=3 215 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N TS34659 [0,2,0,0,0,0|1,0,0]=3 216 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS34775 [0,2,0,0,0,0|0,0,0]=2 217 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS54859 [0,2,0,0,0,0|0,0,0]=2 218 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS64393 [0,2,0,0,0,0|0,0,0]=2 219 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS78613 [0,2,0,0,0,0|0,0,0]=2 220 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS93617 [0,2,0,0,0,0|0,0,0]=2 221 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS35317 [0,2,0,0,0,0|0,0,1]=3 222 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS65225 [0,2,0,0,0,0|0,0,1]=3 223 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS73332 [0,2,0,0,0,0|0,0,1]=3 224 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS75132 [0,2,0,0,0,0|0,0,1]=3 225 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS75317 [0,2,0,0,0,0|0,0,1]=3 226 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS75527 [0,2,0,0,0,0|0,0,1]=3 227 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS76135 [0,2,0,0,0,0|0,0,1]=3 228 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS84124 [0,2,0,0,0,0|0,0,1]=3 229 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS84270 [0,2,0,0,0,0|0,0,1]=3 230 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS84909 [0,2,0,0,0,0|0,0,1]=3 231 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O TS34788 [0,2,0,0,0,0|1,0,1]=4 232 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl TS64871 [0,2,0,0,0,0|1,0,0]=3 233 B19R0.149 CCCCCCCCCSCCCCCCCC(=O)O TS74817 [0,2,0,0,0,0|0,0,0]=2 234 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)O TS54855 [0,2,0,0,0,0|0,0,1]=3 235 B19R0.443 C(CCCCCCCC(=O)O)CCCCCCC(=O)O TS34974 [0,2,0,0,0,0|0,0,1]=3 236 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O TS54776 [0,2,0,0,0,0|0,0,0]=2 237 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(O)O TS60603 [0,2,0,0,0,0|1,0,0]=3 238 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl TS61860 [0,2,0,0,0,0|1,0,1]=4 239 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] TS77772 [0,2,0,0,0,0|1,0,1]=4 240 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 TS57150 [1,0,0,1,0,0|1,0,0]=3 241 B17R1.11298 C1CCCCCCCC(=O)CCCCCCC1 TS56862 [1,0,0,1,0,0|1,0,0]=3 242 B17R1.11298 C1CCCCCCCOC(=O)CCCCCC1 TS57446 [1,0,0,1,0,0|0,0,0]=2 243 B17R1.29093 CCCCCCCCCCCCCCC1CO1 TS26588 [1,0,0,1,0,0|1,0,1]=4 244 B17R1.29093 CCCCCCCCCCCCCC[C@@H]1CO1 TS26587 [1,0,0,1,0,0|1,0,1]=4 245 B17R1.1045 C1CCCCCC(=O)C(CCCC1)CCC#N TS56705 [1,0,0,1,0,0|1,0,1]=4 246 B17R1.1242 CCCCCCCCCCCC1CCCCC1 TS26265 [1,0,0,1,0,0|1,0,1]=4 247 B17R1.1425 CCCCCCCCCCCCC1CCCC1 TS84245 [1,0,0,1,0,0|1,0,1]=4 248 B17R1.5249 CCCCCCCCCCCCC1CCC1=O TS57147 [1,0,0,1,0,0|0,0,0]=2 249 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 TS73804 [0,1,0,1,0,0|1,0,1]=4 250 B19R1.195866 C1CCCCCC(=O)OCCOC(=O)CCCCC1 TS30847 [0,1,0,1,0,0|1,0,1]=4 251 B19R1.27382 CCCCCCCCCCN1C[C@@H](C[C@H]1C(=O)O)O TS74151 [0,1,0,1,0,0|1,0,0]=3