0 B10R0.78 CC(=O)NCC(CCCCl)Cl TS53956 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.78 CCCCC(C)CCC(=O)O TS41944 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.78 CCCCC(CCC(C)C)O TS11063 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.2 C(CCCBr)CCC(=O)Cl TS24416 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.2 C(CCCN)CCC(=O)O TS48161 [1,0,0,0,0,0|1,0,0]=2 7 B9R0.2 C(CCCN)CCC(=O)O TS59742 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.2 C(CCCO)CCC(=O)O TS55677 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.2 CC(=O)OCCCCCBr TS20687 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.2 CC(=O)OCCCCCCl TS11956 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.2 CCCCC=CCC(=O)O TS37609 [1,0,0,0,0,0|0,0,2]=3 12 B9R0.2 CCCCCC#CC(=O)O TS37382 [1,0,0,0,0,0|0,0,2]=3 13 B9R0.2 CCCCCC=CC(=O)O TS06694 [1,0,0,0,0,0|0,0,2]=3 14 B9R0.2 CCCCCCCC(=C)C TS06520 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.2 CCCCCCCC(=O)C TS06758 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.2 CCCCCCCC(=O)Cl TS11637 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.2 CCCCCCCC(=O)N TS40110 [1,0,0,0,0,0|1,0,0]=2 18 B9R0.2 CCCCCCCC(=O)O TS40219 [1,0,0,0,0,0|0,0,0]=1 19 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [1,0,0,0,0,0|0,0,1]=2 20 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [1,0,0,0,0,0|0,0,1]=2 21 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [1,0,0,0,0,0|0,0,1]=2 22 B9R0.2 CCCCCCCC(C)Br TS39158 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.2 CCCCCCCC(C)C TS37672 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.2 CCCCCCC[C@H](C)N TS06890 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.2 CCCCCCNC(=S)N TS11310 [1,0,0,0,0,0|2,1,0]=4 27 B9R0.2 CCCCCCOC(=O)C TS40201 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.2 CCCCCCOC(=O)Cl TS11953 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.2 CCCCCCOC(=S)[S-] TS49163 [1,0,0,0,0,0|1,2,0]=4 30 B9R0.2 CCCCNCCC(=O)N TS07002 [1,0,0,0,0,0|2,0,0]=3 31 B9R0.2 CCCCNCCC(=O)O TS40320 [1,0,0,0,0,0|1,0,0]=2 32 B9R0.18 CCCCC(C)CCCC TS06794 [1,0,0,0,0,0|1,0,1]=3 33 B9R0.18 CCCCC(CCCC)N TS06896 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.18 CCCCC(CCCC)O TS40240 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.18 CCCCN(C)CCCC TS06888 [1,0,0,0,0,0|2,0,1]=4 36 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.48 CCCC(C)CCC(=O)C TS37638 [1,0,0,0,0,0|1,0,0]=2 38 B9R0.48 CCCC(C)COC(=O)C TS40203 [1,0,0,0,0,0|2,0,0]=3 39 B11R0.46 CCCCCC(C)CCC(=O)O TS13225 [0,1,0,0,0,0|0,0,0]=1 40 B11R0.46 CCCCCN(C)CCC(=O)O TS20826 [0,1,0,0,0,0|1,0,0]=2 41 B11R0.46 CCCCNC(=O)NCC(=O)O TS45774 [0,1,0,0,0,0|2,0,1]=4 42 B11R0.46 CCCCOC(=O)CCC(=O)C TS13190 [0,1,0,0,0,0|2,0,1]=4 43 B11R0.163 CCCCC(C)CC(C)C(=O)O TS45514 [0,1,0,0,0,0|0,0,0]=1 44 B11R0.164 CCCCC(CC)C=CC(=O)O TS12857 [0,1,0,0,0,0|0,0,2]=3 45 B11R0.164 CCCCC(CC)CCC(=O)O TS45523 [0,1,0,0,0,0|0,0,0]=1 46 B11R0.164 CCCCC(CC)CCC(C)O TS45544 [0,1,0,0,0,0|1,0,1]=3 47 B11R0.164 CCCCC(CC)COC(=O)C TS45508 [0,1,0,0,0,0|2,0,0]=3 48 B11R0.164 CCCCC(CC)COC(=O)Cl TS51575 [0,1,0,0,0,0|2,0,0]=3 49 B11R0.164 CCCCC(CC)CO[N+](=O)[O-] TS13710 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.1 CCCCC1CCC(=O)CC1 TS10476 [0,0,0,1,0,0|1,0,0]=2 51 B11R1.1 CCCCC1CCC(CC1)O TS41689 [0,0,0,1,0,0|1,0,1]=3 52 B11R1.1 CCCCN1CCC(=O)CC1 TS10602 [0,0,0,1,0,0|2,0,0]=3 53 B11R1.86 CC1CCCCC1OC(=O)C TS41647 [0,0,0,1,0,0|2,0,0]=3 54 B11R1.91 C1CCC(CC1)C=CC(=O)O TS41400 [0,0,0,1,0,0|0,0,2]=3 55 B11R1.91 C1CCN(CC1)CCC(=O)N TS10729 [0,0,0,1,0,0|2,0,0]=3 56 B11R1.91 C1CCN(CC1)CCC(=O)O TS10871 [0,0,0,1,0,0|1,0,0]=2 57 B11R1.91 C1CCNC(C1)CCC(=O)O TS02885 [0,0,0,1,0,0|1,0,0]=2 58 B11R1.91 C1CNC(CN1)CCC(=O)O TS11001 [0,0,0,1,0,0|2,0,0]=3 59 B11R1.91 C1CNCCC1CCC(=O)O TS00525 [0,0,0,1,0,0|1,0,0]=2 60 B11R1.91 C1CNCCC1OCC(=O)O TS42025 [0,0,0,1,0,0|2,0,0]=3 61 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [0,0,0,0,1,0|2,0,1]=4 62 B9R0.4 CCCCC(C)CC(=O)O TS40195 [0,0,0,0,1,0|0,0,0]=1 63 B9R0.4 CCCCC(CC(=O)O)O TS40420 [0,0,0,0,1,0|1,0,0]=2 64 B9R0.4 CCCC[C@@H](C)CC(=O)O TS40197 [0,0,0,0,1,0|0,0,0]=1 65 B9R0.4 CCCC[C@H](C)CC(=O)O TS40208 [0,0,0,0,1,0|0,0,0]=1 66 B9R0.4 CCOCC(C)OC(=O)C TS40411 [0,0,0,0,1,0|3,0,0]=4 67 B9R0.4 CSCC[C@@H](CC(=O)O)N TS37818 [0,0,0,0,1,0|2,0,0]=3 68 B11R0.147 CCCCC(C)CCCC(C)C TS45213 [0,0,0,0,0,1|2,0,1]=4 69 B8R0.4 C(CCCN)CCCO TS36619 [2,0,0,0,0,0|1,0,1]=4 70 B8R0.4 C(CCCO)CCCBr TS55654 [2,0,0,0,0,0|1,0,1]=4 71 B8R0.4 C(CCCO)CCCO TS36690 [2,0,0,0,0,0|1,0,1]=4 72 B8R0.4 C=CCCCCCCBr TS01315 [2,0,0,0,0,0|2,0,0]=4 73 B8R0.4 C=CCCCCCCO TS05382 [2,0,0,0,0,0|2,0,0]=4 74 B8R0.4 CCCCCC=CC=O TS36157 [2,0,0,0,0,0|0,0,2]=4 75 B8R0.4 CCCCCCC=CC TS05227 [2,0,0,0,0,0|1,0,1]=4 76 B8R0.4 CCCCCCC=NO TS36429 [2,0,0,0,0,0|1,0,1]=4 77 B8R0.4 CCCCCCCC#C TS05045 [2,0,0,0,0,0|1,0,1]=4 78 B8R0.4 CCCCCCCC#N TS05112 [2,0,0,0,0,0|1,0,1]=4 79 B8R0.4 CCCCCCCC=C TS05208 [2,0,0,0,0,0|1,0,0]=3 80 B8R0.4 CCCCCCCC=O TS05399 [2,0,0,0,0,0|0,0,0]=2 81 B8R0.4 CCCCCCCCBr TS00038 [2,0,0,0,0,0|1,0,1]=4 82 B8R0.4 CCCCCCCCC TS05427 [2,0,0,0,0,0|1,0,1]=4 83 B8R0.4 CCCCCCCCCl TS07517 [2,0,0,0,0,0|1,0,1]=4 84 B8R0.4 CCCCCCCCF TS05771 [2,0,0,0,0,0|1,0,1]=4 85 B8R0.4 CCCCCCCCN TS05489 [2,0,0,0,0,0|1,0,1]=4 86 B8R0.4 CCCCCCCCN TS12120 [2,0,0,0,0,0|1,0,1]=4 87 B8R0.4 CCCCCCCCN TS20855 [2,0,0,0,0,0|1,0,1]=4 88 B8R0.4 CCCCCCCCO TS36550 [2,0,0,0,0,0|0,0,1]=3 89 B8R0.4 CCCCCCCCS TS40481 [2,0,0,0,0,0|0,1,1]=4 90 B8R0.4 CCCCCCCC[Si] TS07042 [2,0,0,0,0,0|1,0,1]=4 91 B8R0.4 CCCCCCCNC TS05499 [2,0,0,0,0,0|2,0,0]=4 92 B8R0.4 CCCCCCN=C=O TS36237 [2,0,0,0,0,0|1,0,1]=4 93 B8R0.4 CCCCCCOC=O TS36508 [2,0,0,0,0,0|1,0,0]=3 94 B8R0.4 CCCCCNCCO TS36622 [2,0,0,0,0,0|1,0,1]=4 95 B8R0.4 CCCCCOCC=C TS05379 [2,0,0,0,0,0|2,0,0]=4 96 B8R0.4 CCCCCOCCO TS36691 [2,0,0,0,0,0|1,0,1]=4 97 B8R0.4 CNCCCCCCO TS36615 [2,0,0,0,0,0|1,0,1]=4 98 B8R0.7 B(CCCCCC)(O)O TS32717 [2,0,0,0,0,0|1,0,1]=4 99 B8R0.7 C#CCCCCC(=O)O TS05162 [2,0,0,0,0,0|0,0,2]=4 100 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [2,0,0,0,0,0|2,0,0]=4 101 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [2,0,0,0,0,0|2,0,0]=4 102 B8R0.7 C(CCC(=O)N)CCBr TS17766 [2,0,0,0,0,0|2,0,0]=4 103 B8R0.7 C(CCC(=O)N)CCN TS93750 [2,0,0,0,0,0|2,0,0]=4 104 B8R0.7 C(CCC(=O)O)CCBr TS55559 [2,0,0,0,0,0|1,0,0]=3 105 B8R0.7 C(CCC(=O)O)CCCl TS09966 [2,0,0,0,0,0|1,0,0]=3 106 B8R0.7 C(CCC(=O)O)CCN TS33197 [2,0,0,0,0,0|1,0,0]=3 107 B8R0.7 C(CCC(=O)O)CCN TS94650 [2,0,0,0,0,0|1,0,0]=3 108 B8R0.7 C(CCC(=O)O)CCO TS55607 [2,0,0,0,0,0|1,0,0]=3 109 B8R0.7 C(CCON)CC(=O)O TS44444 [2,0,0,0,0,0|2,0,0]=4 110 B8R0.7 C=CCCCCC(=O)O TS36303 [2,0,0,0,0,0|0,0,2]=4 111 B8R0.7 CCCC=CCC(=O)O TS36290 [2,0,0,0,0,0|0,0,2]=4 112 B8R0.7 CCCCC#CC(=O)O TS36120 [2,0,0,0,0,0|0,0,2]=4 113 B8R0.7 CCCCC=CC(=O)O TS05335 [2,0,0,0,0,0|0,0,2]=4 114 B8R0.7 CCCCCCC(=O)C TS36325 [2,0,0,0,0,0|1,0,0]=3 115 B8R0.7 CCCCCCC(=O)Cl TS07515 [2,0,0,0,0,0|1,0,0]=3 116 B8R0.7 CCCCCCC(=O)N TS36432 [2,0,0,0,0,0|1,0,0]=3 117 B8R0.7 CCCCCCC(=O)O TS05558 [2,0,0,0,0,0|0,0,0]=2 118 B8R0.7 CCCCCCC(=O)[O-] TS10169 [2,0,0,0,0,0|0,0,1]=3 119 B8R0.7 CCCCCCC(C)O TS05590 [2,0,0,0,0,0|1,0,1]=4 120 B8R0.7 CCCCCC[C@@H](C)O TS05598 [2,0,0,0,0,0|1,0,1]=4 121 B8R0.7 CCCCCC[C@H](C)O TS46634 [2,0,0,0,0,0|1,0,1]=4 122 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [2,0,0,0,0,0|1,0,1]=4 123 B8R0.7 CCCCCOC(=O)C TS05568 [2,0,0,0,0,0|2,0,0]=4 124 B8R0.7 CCCCCOC(=O)Cl TS59753 [2,0,0,0,0,0|2,0,0]=4 125 B8R0.7 CCCCOCC(=O)O TS05720 [2,0,0,0,0,0|1,0,0]=3 126 B8R0.7 COCCOCC(=O)O TS08222 [2,0,0,0,0,0|2,0,0]=4 127 B8R0.1 CCCC(C)CCCO TS36530 [2,0,0,0,0,0|0,0,1]=3 128 B8R0.1 CCCC(C)COC=O TS36501 [2,0,0,0,0,0|1,0,0]=3 129 B8R0.1 CCCCC(C)CCC TS05416 [2,0,0,0,0,0|0,0,1]=3 130 B8R0.1 CCCCC(C)CCO TS05597 [2,0,0,0,0,0|0,0,0]=2 131 B8R0.1 CCCCC(CC=C)O TS36339 [2,0,0,0,0,0|1,0,1]=4 132 B8R0.1 CCCCC(CCC)Br TS51606 [2,0,0,0,0,0|1,0,1]=4 133 B8R0.1 CCCCC(CCC)Cl TS07522 [2,0,0,0,0,0|1,0,1]=4 134 B8R0.1 CCCCC(CCC)I TS26461 [2,0,0,0,0,0|1,0,1]=4 135 B8R0.1 CCCCC(CCC)O TS36547 [2,0,0,0,0,0|1,0,1]=4 136 B8R0.1 CCCCN(C)CCN TS05610 [2,0,0,0,0,0|2,0,0]=4 137 B8R0.1 CCCC[C@@H](C)CCO TS36538 [2,0,0,0,0,0|0,0,0]=2 138 B8R0.1 CN(CCCN)CCO TS36698 [2,0,0,0,0,0|2,0,0]=4 139 B8R0.9 CCC(C)CCC(=O)C TS05381 [2,0,0,0,0,0|1,0,0]=3 140 B8R0.9 CCC(C)CCC(=O)O TS36505 [2,0,0,0,0,0|0,0,0]=2 141 B8R0.9 CCC(C)CCC(C)O TS36529 [2,0,0,0,0,0|1,0,1]=4 142 B8R0.9 CCC(C)COC(=O)C TS01135 [2,0,0,0,0,0|2,0,0]=4 143 B10R0.3 CCCC(C)CCOC(=O)C TS11027 [1,1,0,0,0,0|2,0,0]=4 144 B10R0.3 CCCC(CCOC(=O)C)S TS46183 [1,1,0,0,0,0|2,0,0]=4 145 B10R0.3 CCOC(=O)CCCC(=O)O TS11210 [1,1,0,0,0,0|1,0,1]=4 146 B10R0.4 B(CCCCCCCC)(O)O TS41838 [1,1,0,0,0,0|1,0,1]=4 147 B10R0.4 C#CCCCCCCC(=O)O TS29475 [1,1,0,0,0,0|0,0,1]=3 148 B10R0.4 C(CCCC(=O)O)CCCBr TS01319 [1,1,0,0,0,0|0,0,0]=2 149 B10R0.4 C(CCCC(=O)O)CCCN TS11174 [1,1,0,0,0,0|0,0,0]=2 150 B10R0.4 C(CCCC(=O)O)CCCO TS11268 [1,1,0,0,0,0|0,0,0]=2 151 B10R0.4 C(CCNCCC(=O)O)CN TS68144 [1,1,0,0,0,0|1,0,0]=3 152 B10R0.4 C(COCCOCC(=O)O)N TS11679 [1,1,0,0,0,0|2,0,0]=4 153 B10R0.4 C(COCCOCC(=O)O)N TS47032 [1,1,0,0,0,0|2,0,0]=4 154 B10R0.4 CC(=O)OCCCCCCBr TS50269 [1,1,0,0,0,0|2,0,0]=4 155 B10R0.4 CCCCCC=CCC(=O)O TS41642 [1,1,0,0,0,0|0,0,1]=3 156 B10R0.4 CCCCCCC#CC(=O)O TS41396 [1,1,0,0,0,0|0,0,1]=3 157 B10R0.4 CCCCCCC=CC(=O)C TS10484 [1,1,0,0,0,0|1,0,1]=4 158 B10R0.4 CCCCCCC=CC(=O)O TS41637 [1,1,0,0,0,0|0,0,1]=3 159 B10R0.4 CCCCCCCCC(=O)C TS10747 [1,1,0,0,0,0|1,0,0]=3 160 B10R0.4 CCCCCCCCC(=O)Cl TS46204 [1,1,0,0,0,0|1,0,0]=3 161 B10R0.4 CCCCCCCCC(=O)N TS10891 [1,1,0,0,0,0|1,0,0]=3 162 B10R0.4 CCCCCCCCC(=O)O TS11031 [1,1,0,0,0,0|0,0,0]=2 163 B10R0.4 CCCCCCCCC(=O)[O-] TS14628 [1,1,0,0,0,0|0,0,1]=3 164 B10R0.4 CCCCCCCCC(C)O TS41974 [1,1,0,0,0,0|1,0,1]=4 165 B10R0.4 CCCCCCCC[C@H](C)O TS41983 [1,1,0,0,0,0|1,0,1]=4 166 B10R0.4 CCCCCCCC[N+](=O)[O-] TS11163 [1,1,0,0,0,0|1,0,1]=4 167 B10R0.4 CCCCCCCNC(=O)N TS41954 [1,1,0,0,0,0|1,0,0]=3 168 B10R0.4 CCCCCCCNC(=S)N TS13566 [1,1,0,0,0,0|1,1,0]=4 169 B10R0.4 CCCCCCCOC(=O)Cl TS47643 [1,1,0,0,0,0|1,0,0]=3 170 B10R0.4 CCCCOCCOC(=O)C TS11278 [1,1,0,0,0,0|2,0,0]=4 171 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N TS25356 [1,1,0,0,0,0|1,0,0]=3 172 B10R0.6 CCCCCC(=O)CC(=O)C TS10719 [1,1,0,0,0,0|1,0,1]=4 173 B10R0.6 CCCCCC(C)CC(=O)O TS11024 [1,1,0,0,0,0|0,0,0]=2 174 B10R0.6 CCCCCC(CC(=O)O)O TS11269 [1,1,0,0,0,0|0,0,0]=2 175 B10R0.22 CCCCCCCC(C)(C)O TS41969 [1,1,0,0,0,0|1,0,1]=4 176 B10R0.22 CCCCCCCN(=O)(C)C TS42089 [1,1,0,0,0,0|2,0,0]=4 177 B10R0.22 CCCCCCCP(=O)(Cl)Cl TS49214 [1,1,0,0,0,0|2,0,0]=4 178 B10R0.22 CCCCCCCS(=O)(=O)[O-] TS19397 [1,1,0,0,0,0|1,0,1]=4 179 B10R0.74 CCCCCC#CC(=O)OC TS10452 [1,1,0,0,0,0|0,0,2]=4 180 B10R0.74 CCCCCC=CC(=O)OC TS10720 [1,1,0,0,0,0|0,0,2]=4 181 B10R0.74 CCCCCCCC(=O)CC TS41682 [1,1,0,0,0,0|1,0,0]=3 182 B10R0.74 CCCCCCCC(=O)NN TS41952 [1,1,0,0,0,0|1,0,0]=3 183 B10R0.74 CCCCCCCC(=O)N[O-] TS14789 [1,1,0,0,0,0|0,0,1]=3 184 B10R0.74 CCCCCCCC(=O)OC TS01755 [1,1,0,0,0,0|0,0,0]=2 185 B10R0.74 CCCCCCCC(CC)O TS11069 [1,1,0,0,0,0|1,0,1]=4 186 B10R0.74 CCCCCCCC(CO)O TS11306 [1,1,0,0,0,0|0,0,2]=4 187 B10R0.74 CCCCCCOC(=O)C=C TS41638 [1,1,0,0,0,0|2,0,0]=4 188 B10R0.74 CCCCCCOC(=O)CC TS41939 [1,1,0,0,0,0|2,0,0]=4 189 B10R0.74 CCCCCCOC(=O)CN TS18152 [1,1,0,0,0,0|2,0,0]=4 190 B10R0.74 CCCCNCCC(=O)OC TS11160 [1,1,0,0,0,0|1,0,0]=3 191 B10R0.74 COC(=O)CCCCCC=O TS41903 [1,1,0,0,0,0|1,0,1]=4 192 B10R0.74 COC(=O)CCCCCCN TS11176 [1,1,0,0,0,0|1,0,0]=3 193 B10R0.74 COC(=O)CCCCCCN TS85142 [1,1,0,0,0,0|1,0,0]=3 194 B10R0.75 C(CO)CSC[C@@H](C(=O)O)N TS47766 [1,1,0,0,0,0|2,0,0]=4 195 B10R0.75 CCCCCCC(=O)C(=O)O TS10976 [1,1,0,0,0,0|0,0,1]=3 196 B10R0.75 CCCCCCC(C(=O)O)Br TS50267 [1,1,0,0,0,0|0,0,0]=2 197 B10R0.75 CCCCCCC(C(=O)O)N TS11153 [1,1,0,0,0,0|0,0,0]=2 198 B10R0.75 CCCCCCC(C(=O)O)O TS11275 [1,1,0,0,0,0|0,0,0]=2 199 B10R0.75 CCCCCCC(C)C(=O)O TS11035 [1,1,0,0,0,0|0,0,0]=2 200 B10R0.75 CCCCCC[C@@H](C(=O)O)N TS11157 [1,1,0,0,0,0|0,0,0]=2 201 B10R0.75 CCCCCC[C@H](C(=O)O)N TS11158 [1,1,0,0,0,0|0,0,0]=2 202 B10R0.75 CCCCSC[C@@H](C(=O)O)N TS14083 [1,1,0,0,0,0|1,0,0]=3 203 B10R0.75 CNCCCC[C@@H](C(=O)O)N TS18381 [1,1,0,0,0,0|1,0,0]=3 204 B10R0.97 C(CCC(=O)O)CCC(=O)O TS39875 [1,1,0,0,0,0|1,0,1]=4 205 B10R0.116 CCCCC(C)(CCCC)Cl TS46208 [1,1,0,0,0,0|1,0,1]=4 206 B10R0.116 CCCCC(C)(CCCC)O TS11062 [1,1,0,0,0,0|1,0,1]=4 207 B10R0.26 CCCC(C)CC(C)C(=O)C TS41688 [1,1,0,0,0,0|1,0,0]=3 208 B10R0.96 CC(CCC(=O)O)CC(=O)O TS11217 [1,1,0,0,0,0|1,0,1]=4 209 B10R0.105 CCCC(C)(C)CCC(=O)O TS11038 [1,1,0,0,0,0|0,0,0]=2 210 B10R0.44 C[C@H](CC(=O)O)CC(=O)OC TS11225 [0,1,0,0,1,0|1,0,1]=4 211 B10R0.87 CCCCC(CC)CC(=O)O TS41941 [0,1,0,0,1,0|0,0,0]=2 212 B10R0.87 CCCCC(CC)CC(C)O TS41967 [0,1,0,0,1,0|1,0,1]=4 213 B12R0.233 CCOCCC(C)CCC=C(C)C TS48638 [0,1,0,0,0,1|2,0,0]=4 214 B12R0.189 CC(C)CCC(=O)CCC(=O)OC TS15646 [0,2,0,0,0,0|1,0,1]=4 215 B12R0.101 CCCCC(C)CCC(=O)OCC TS48956 [0,2,0,0,0,0|0,0,0]=2 216 B12R0.216 CCCCC(CC)COC(=O)C=C TS48609 [0,2,0,0,0,0|2,0,0]=4 217 B12R0.216 CCCCC(CC)COC(=O)CS TS19838 [0,2,0,0,0,0|1,1,0]=4 218 B12R0.608 CCCCC(CC)COP(=O)(O)O TS83592 [0,2,0,0,0,0|2,0,0]=4 219 B12R0.245 CCCCC(CC)C=C(C)C(=O)O TS15340 [0,2,0,0,0,0|0,0,2]=4 220 B10R1.16 CCCCC1CCC(=O)O1 TS37606 [1,0,0,1,0,0|0,0,0]=2 221 B10R1.16 CCCC[C@@H]1COC(=O)N1 TS06863 [1,0,0,1,0,0|2,0,0]=4 222 B10R1.16 CCCC[C@H]1COC(=O)N1 TS06854 [1,0,0,1,0,0|2,0,0]=4 223 B10R1.18 C1CC(CNC1)CC(=O)O TS14484 [1,0,0,1,0,0|1,0,0]=3 224 B10R1.18 C1CC(CNC1)CC(=O)O TS86609 [1,0,0,1,0,0|1,0,0]=3 225 B10R1.18 C1CCC(=CC1)CC(=O)O TS46941 [1,0,0,1,0,0|0,0,2]=4 226 B10R1.18 C1CCC(CC1)CC(=O)O TS06711 [1,0,0,1,0,0|0,0,0]=2 227 B10R1.18 C1CCC(CC1)NC(=O)N TS06732 [1,0,0,1,0,0|2,0,0]=4 228 B10R1.18 C1CCC(CC1)OC(=O)Cl TS11630 [1,0,0,1,0,0|2,0,0]=4 229 B10R1.18 C1CCN(CC1)CC(=O)O TS06867 [1,0,0,1,0,0|1,0,0]=3 230 B10R1.18 C1CCOC(C1)CC(=O)O TS60188 [1,0,0,1,0,0|1,0,0]=3 231 B10R1.18 C1CN(CCN1)CC(=O)O TS11551 [1,0,0,1,0,0|2,0,0]=4 232 B10R1.18 C1CNCCC1CC(=O)N TS85244 [1,0,0,1,0,0|2,0,0]=4 233 B10R1.18 C1CNCCC1CC(=O)O TS87660 [1,0,0,1,0,0|1,0,0]=3 234 B10R1.18 C1COC(CN1)CC(=O)O TS40294 [1,0,0,1,0,0|2,0,0]=4 235 B10R1.18 C1COCC(N1)CC(=O)O TS40297 [1,0,0,1,0,0|2,0,0]=4 236 B10R1.18 C1COCCC1CC(=O)O TS02099 [1,0,0,1,0,0|1,0,0]=3 237 B10R1.18 C1COCCN1CC(=O)O TS14840 [1,0,0,1,0,0|2,0,0]=4 238 B10R1.18 C1CSCCN1CC(=O)O TS11431 [1,0,0,1,0,0|2,0,0]=4 239 B10R1.18 CC(=C)CC1CCCCC1 TS06328 [1,0,0,1,0,0|2,0,0]=4 240 B10R1.18 CC(=O)CC1CCCCC1 TS06510 [1,0,0,1,0,0|1,0,0]=3 241 B10R1.18 CC(=O)OC1CCCCC1 TS37599 [1,0,0,1,0,0|2,0,0]=4 242 B10R1.39 CCN1CCC[C@H]1C(=O)N TS06726 [1,0,0,1,0,0|2,0,0]=4 243 B10R1.61 C1CCC(C(C1)C(=O)O)N TS06859 [1,0,0,1,0,0|1,0,0]=3 244 B10R1.61 C1CCC(C(C1)C(=O)O)O TS16698 [1,0,0,1,0,0|1,0,0]=3 245 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)N)O TS40080 [1,0,0,1,0,0|2,0,0]=4 246 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)O TS06865 [1,0,0,1,0,0|2,0,0]=4 247 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N TS40083 [1,0,0,1,0,0|1,0,0]=3 248 B10R1.61 C1CC[C@H]([C@H](C1)C(=O)O)N TS14483 [1,0,0,1,0,0|1,0,0]=3 249 B10R1.61 CN1CCCCC1C(=O)O TS08695 [1,0,0,1,0,0|1,0,0]=3 250 B10R1.66 C1CCC(C1)CCC(=O)Cl TS11340 [1,0,0,1,0,0|1,0,0]=3 251 B10R1.66 C1CCC(C1)CCC(=O)O TS37610 [1,0,0,1,0,0|0,0,0]=2 252 B10R1.66 C1CCC(C1)NCC(=O)O TS64976 [1,0,0,1,0,0|1,0,0]=3 253 B10R1.66 C1CCN(C1)CCC(=O)N TS06729 [1,0,0,1,0,0|2,0,0]=4 254 B10R1.66 C1CCN(C1)CCC(=O)O TS06860 [1,0,0,1,0,0|1,0,0]=3 255 B10R1.66 C1COC(O1)CCC(=O)O TS07160 [1,0,0,1,0,0|2,0,0]=4 256 B10R1.295 CC1(CCCCCCC1)O TS06744 [1,0,0,1,0,0|1,0,1]=4 257 B10R1.348 C1CC(CCNC1)C(=O)O TS86816 [1,0,0,1,0,0|1,0,0]=3 258 B10R1.348 C1CCCC(CC1)C(=O)O TS01402 [1,0,0,1,0,0|0,0,0]=2 259 B10R1.4 CCCC1CCCCC1C TS06518 [1,0,0,1,0,0|1,0,1]=4 260 B10R1.4 CCC[C@@H]1CCCC[C@H]1C TS06535 [1,0,0,1,0,0|1,0,1]=4 261 B10R1.4 CCC[C@H]1CCCC[C@H]1C TS06531 [1,0,0,1,0,0|1,0,1]=4 262 B10R1.17 C#CCCC1CCCCC1 TS37060 [1,0,0,1,0,0|1,0,1]=4 263 B10R1.17 C1CCC(CC1)CCCN TS37521 [1,0,0,1,0,0|1,0,1]=4 264 B10R1.17 C1CCC(CC1)NCCO TS40111 [1,0,0,1,0,0|1,0,1]=4 265 B10R1.17 C1CCN(CC1)CCCO TS40100 [1,0,0,1,0,0|1,0,1]=4 266 B10R1.17 C1CNCCC1CCCO TS39294 [1,0,0,1,0,0|1,0,1]=4 267 B10R1.17 C=CCNC1CCCCC1 TS37309 [1,0,0,1,0,0|2,0,0]=4 268 B10R1.17 CCCCC1CCNCC1 TS14119 [1,0,0,1,0,0|2,0,0]=4 269 B10R1.17 CCCCC1CCNCC1 TS37517 [1,0,0,1,0,0|2,0,0]=4 270 B10R1.1 CCCC1CCC(=O)CC1 TS06490 [1,0,0,1,0,0|1,0,0]=3 271 B10R1.1 CCCC1CCC(CC1)O TS37640 [1,0,0,1,0,0|1,0,1]=4 272 B10R1.1 CCCN1CCC(=O)CC1 TS40003 [1,0,0,1,0,0|2,0,0]=4 273 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O TS40289 [1,0,0,1,0,0|2,0,0]=4 274 B10R1.113 C1CC(CC(C1)N)C(=O)O TS65881 [1,0,0,1,0,0|1,0,0]=3 275 B10R1.113 CC1CCCC(N1)C(=O)O TS39361 [1,0,0,1,0,0|1,0,0]=3 276 B10R1.113 CC1CCCN(C1)C(=O)C TS06612 [1,0,0,1,0,0|2,0,0]=4 277 B10R1.113 CC1OCC[C@H](O1)C(=O)O TS40371 [1,0,0,1,0,0|2,0,0]=4 278 B10R1.113 CN1CCCC(C1)C(=O)N TS06731 [1,0,0,1,0,0|2,0,0]=4 279 B10R1.113 CN1CCCC(C1)C(=O)O TS14485 [1,0,0,1,0,0|1,0,0]=3 280 B10R1.113 CN1CCCC(C1)C(=O)O TS59572 [1,0,0,1,0,0|1,0,0]=3 281 B10R1.113 CN1CCNC(C1)C(=O)O TS03179 [1,0,0,1,0,0|2,0,0]=4 282 B10R1.113 CN1CCNC(C1)C(=O)O TS49218 [1,0,0,1,0,0|2,0,0]=4 283 B10R1.113 CN1CCOC(C1)C(=O)O TS14844 [1,0,0,1,0,0|2,0,0]=4 284 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O TS94421 [1,0,0,1,0,0|1,0,0]=3 285 B10R1.54 C1CN(CC1N)CC(=O)O TS40179 [0,0,0,1,1,0|2,0,0]=4 286 B10R1.54 C1CN(CC1O)CC(=O)O TS08024 [0,0,0,1,1,0|2,0,0]=4 287 B12R1.252 C1CCC(CC1)CCCC(=O)O TS45167 [0,0,0,1,0,1|0,0,0]=2 288 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS13838 [0,0,0,1,0,1|0,0,1]=3 289 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS17479 [0,0,0,1,0,1|0,0,1]=3 290 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS33883 [0,0,0,1,0,1|0,0,1]=3 291 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS43539 [0,0,0,1,0,1|0,0,1]=3 292 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS66513 [0,0,0,1,0,1|0,0,1]=3 293 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS81207 [0,0,0,1,0,1|0,0,1]=3 294 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS82408 [0,0,0,1,0,1|0,0,1]=3 295 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS83716 [0,0,0,1,0,1|0,0,1]=3 296 B12R1.252 C1CCC(CC1)NCCC(=O)O TS45330 [0,0,0,1,0,1|0,0,0]=2 297 B12R1.252 C1CNCCC1CCCC(=O)O TS20456 [0,0,0,1,0,1|1,0,0]=3 298 B12R1.252 C1COCCN1CCCC(=O)O TS20809 [0,0,0,1,0,1|2,0,0]=4 299 B12R1.1 CCCCCC1CCC(=O)CC1 TS44917 [0,1,0,1,0,0|1,0,0]=3 300 B12R1.1 CCCCCC1CCC(CC1)O TS45198 [0,1,0,1,0,0|1,0,1]=4 301 B12R1.54 C1CCN(C1)C(=O)CCC(=O)O TS45297 [0,1,0,1,0,0|1,0,1]=4 302 B12R1.1009 C[C@@H]1CNC[C@@H](N1CC(=O)N)C TS92027 [0,1,0,1,0,0|2,0,0]=4 303 B12R1.107 C1CCC(CC1)C(CC(=O)O)N TS13031 [0,1,0,1,0,0|0,0,0]=2 304 B12R1.27 COC(=O)C=CC1CCCCC1 TS44897 [0,1,0,1,0,0|0,0,2]=4 305 B12R1.27 COC(=O)CCC1CCCCC1 TS45157 [0,1,0,1,0,0|0,0,0]=2 306 B12R1.27 COC(=O)CCC1CNCCN1 TS02884 [0,1,0,1,0,0|2,0,0]=4 307 B12R1.27 COC(=O)CCC1COCCN1 TS13342 [0,1,0,1,0,0|2,0,0]=4 308 B12R1.27 COC(=O)CCN1CCCCC1 TS45339 [0,1,0,1,0,0|1,0,0]=3 309 B12R1.27 COC(=O)CCN1CCOCC1 TS13332 [0,1,0,1,0,0|2,0,0]=4 310 B12R1.27 COC(=O)COC1CCNCC1 TS13341 [0,1,0,1,0,0|2,0,0]=4 311 B12R1.27 COC(=O)COC1CCNCC1 TS20812 [0,1,0,1,0,0|2,0,0]=4 312 B12R1.21 CN1CCN(CC1)CCC(=O)O TS45477 [0,1,0,1,0,0|2,0,0]=4 313 B12R1.43 C1CCC(CC1)C[C@@H](C(=O)N)N TS12867 [0,1,0,1,0,0|1,0,0]=3 314 B12R1.43 C1CCC(CC1)C[C@@H](C(=O)O)N TS16214 [0,1,0,1,0,0|0,0,0]=2 315 B12R1.43 C1CCC(CC1)C[C@@H](C(=O)O)N TS60185 [0,1,0,1,0,0|0,0,0]=2 316 B12R1.43 C1CCC(CC1)C[C@H](C(=O)O)N TS43366 [0,1,0,1,0,0|0,0,0]=2 317 B12R1.43 C1CNCCC1C[C@@H](C(=O)O)N TS45480 [0,1,0,1,0,0|1,0,0]=3 318 B12R1.43 C=C(CN1CCCCC1)C(=O)O TS45026 [0,1,0,1,0,0|1,0,1]=4 319 B12R2.24 C1CCC2CC(CCC2C1)O TS10474 [0,0,0,2,0,0|1,0,1]=4 320 B12R2.2302 C1CC(C1)N2CCC(=O)CC2 TS41292 [0,0,0,2,0,0|2,0,0]=4 321 B12R2.253 C1CC2CC(CC1O2)C(=O)O TS92717 [0,0,0,2,0,0|1,0,0]=3 322 B12R2.1661 C1CC2CC1CC2CC(=O)O TS10449 [0,0,0,2,0,0|0,0,0]=2 323 B12R2.1154 CN1C2CCCC1CC(=O)C2 TS41289 [0,0,0,2,0,0|2,0,0]=4 324 B12R2.1154 CN1[C@@H]2CCC[C@H]1CC(=O)C2 TS50991 [0,0,0,2,0,0|2,0,0]=4 325 B12R2.250 C1COCCC12CC2C(=O)O TS89040 [0,0,0,2,0,0|1,0,0]=3 326 B12R2.1392 C1CC2CCC1[C@@H](N2)C(=O)O TS92083 [0,0,0,2,0,0|1,0,0]=3 327 B12R2.1392 C1CC2CCC1[C@H](N2)C(=O)O TS92882 [0,0,0,2,0,0|1,0,0]=3 328 B12R2.2918 C1CCC2(CC1)CC(=O)NC2 TS41291 [0,0,0,2,0,0|2,0,0]=4 329 B12R2.2918 C1CCC2(CC1)OCC(=O)O2 TS10683 [0,0,0,2,0,0|1,0,0]=3 330 B12R2.3188 C1CC2(CC(C2)C(=O)O)NC1 TS91923 [0,0,0,2,0,0|1,0,0]=3 331 B12R2.3188 C1COC2(O1)CC(C2)C(=O)O TS90877 [0,0,0,2,0,0|2,0,0]=4 332 B8R0.5 CCCC(=CC(=O)O)C TS36312 [1,0,0,0,1,0|0,0,2]=4 333 B8R0.5 CCCC(C)CC(=C)C TS36185 [1,0,0,0,1,0|2,0,0]=4 334 B8R0.5 CCCC(C)CC(=O)C TS05394 [1,0,0,0,1,0|1,0,0]=3 335 B8R0.5 CCCC(C)CC(=O)O TS05545 [1,0,0,0,1,0|0,0,0]=2 336 B8R0.5 CCCC(C)CC(C)O TS05587 [1,0,0,0,1,0|1,0,1]=4 337 B8R0.5 CCCC(C)OC(=O)C TS05542 [1,0,0,0,1,0|2,0,0]=4 338 B8R0.5 CCC[C@H](C)CC(=O)O TS36494 [1,0,0,0,1,0|0,0,0]=2 339 B8R0.8 C(CC(C(=O)O)N)CN TS12622 [0,0,0,0,2,0|2,0,0]=4 340 B8R0.8 C(CC(C(=O)O)N)CN TS21454 [0,0,0,0,2,0|2,0,0]=4 341 B8R0.8 C(CC(C(=O)O)N)CN TS38757 [0,0,0,0,2,0|2,0,0]=4 342 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS07674 [0,0,0,0,2,0|2,0,0]=4 343 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS36671 [0,0,0,0,2,0|2,0,0]=4 344 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS51453 [0,0,0,0,2,0|2,0,0]=4 345 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS74512 [0,0,0,0,2,0|2,0,0]=4 346 B8R0.8 C(C[C@H](C(=O)O)N)CN TS12623 [0,0,0,0,2,0|2,0,0]=4 347 B8R0.8 CCCC=C(C)C(=O)O TS36301 [0,0,0,0,2,0|0,0,2]=4 348 B8R0.8 CCCCC(C(=O)Br)Br TS68068 [0,0,0,0,2,0|2,0,0]=4 349 B8R0.8 CCCCC(C(=O)Cl)Br TS21557 [0,0,0,0,2,0|2,0,0]=4 350 B8R0.8 CCCCC(C(=O)N)N TS43162 [0,0,0,0,2,0|2,0,0]=4 351 B8R0.8 CCCCC(C(=O)O)Br TS51947 [0,0,0,0,2,0|1,0,0]=3 352 B8R0.8 CCCCC(C(=O)O)N TS05663 [0,0,0,0,2,0|1,0,0]=3 353 B8R0.8 CCCCC(C(=O)O)O TS05717 [0,0,0,0,2,0|1,0,0]=3 354 B8R0.8 CCCCC(C)C(=O)C TS05385 [0,0,0,0,2,0|1,0,0]=3 355 B8R0.8 CCCCC(C)C(=O)Cl TS07516 [0,0,0,0,2,0|1,0,0]=3 356 B8R0.8 CCCCC(C)C(=O)O TS05567 [0,0,0,0,2,0|0,0,0]=2 357 B8R0.8 CCCCC(C)C(C)O TS05586 [0,0,0,0,2,0|1,0,1]=4 358 B8R0.8 CCCC[C@@H](C(=O)N)N TS43160 [0,0,0,0,2,0|2,0,0]=4 359 B8R0.8 CCCC[C@@H](C(=O)O)N TS36593 [0,0,0,0,2,0|1,0,0]=3 360 B8R0.8 CCCC[C@H](C(=O)O)N TS05658 [0,0,0,0,2,0|1,0,0]=3 361 B8R0.8 CCSC[C@@H](C(=O)O)N TS07588 [0,0,0,0,2,0|2,0,0]=4 362 B8R0.8 CSCCC(C(=O)O)N TS37819 [0,0,0,0,2,0|2,0,0]=4 363 B8R0.8 CSCCC(C(=O)O)N TS61974 [0,0,0,0,2,0|2,0,0]=4 364 B8R0.8 CSCCC(C(=O)O)O TS65052 [0,0,0,0,2,0|2,0,0]=4 365 B8R0.8 CSCC[C@@H](C(=O)O)N TS07583 [0,0,0,0,2,0|2,0,0]=4 366 B8R0.8 CSCC[C@@H](C(=O)O)N TS09902 [0,0,0,0,2,0|2,0,0]=4 367 B8R0.8 CSCC[C@@H](C(=O)O)N TS35372 [0,0,0,0,2,0|2,0,0]=4 368 B8R0.8 CSCC[C@@H](C(=O)O)N TS93972 [0,0,0,0,2,0|2,0,0]=4 369 B8R0.8 C[Se]CCC(C(=O)O)N TS53596 [0,0,0,0,2,0|2,0,0]=4 370 B8R0.8 C[Se]CCC(C(=O)O)N TS93321 [0,0,0,0,2,0|2,0,0]=4 371 B8R0.8 C[Se]CC[C@@H](C(=O)O)N TS64910 [0,0,0,0,2,0|2,0,0]=4