0 B9R0.55 C=C(Br)CNCCC(N)=O Amb25130809 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.55 C=C(Cl)CCCCC(N)=O Amb24358043 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.55 C=C(Cl)CNCCC(N)=O Amb18792457 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.55 CC(=C)CCCCC(N)=O Amb24695037 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.55 CC(=C)CCOCC(O)=O Amb18644114 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.55 CC(=C)CNCCC(N)=O Amb24442603 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.55 CC(=C)\C=C\CCC(O)=O Amb24565556 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.55 CC(=N)NCCCC(N)=O Amb25729267 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.55 CC(=O)CCCC=C(C)O Amb24627452 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.55 CC(=O)CCCCC(=O)C Amb17593600 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.55 CC(=O)CCCCC(C)=C Amb24553457 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.55 CC(=O)CCCCC(N)=O Amb24505160 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.55 CC(=O)CCCNC(N)=O Amb24333544 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.55 CC(=O)CCCOC(=O)C Amb1033031 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.55 CC(=O)CCCOC(=O)Cl Amb25146796 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.55 CC(=O)CCCSC(C)=O Amb24662493 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.55 CC(=O)CCC\C=C(\C)/O Amb24546380 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.55 CC(=O)CCOCC(C)=C Amb25146699 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.55 CC(=O)CCSCC(C)=C Amb24340243 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.55 CC(=O)CCSCC(N)=O Amb24733496 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.55 CC(=O)CCSCC(O)=O Amb24443138 [0,0,0,0,0,0|2,0,0]=2 21 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,0,0|1,0,2]=3 22 B9R0.55 CC(=O)CSCCC(=S)N Amb17503258 [0,0,0,0,0,0|3,1,0]=4 23 B9R0.55 CC(=O)CSCCC(C)=O Amb24361719 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.55 CC(=O)CSSCC(C)=O Amb24509319 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.55 CC(=O)C\C=C\CC(C)=O Amb25227383 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.55 CC(=O)NCC#CC(O)=O Amb24481196 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.55 CC(=O)NCCCC(=C)Cl Amb24477328 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.55 CC(=O)NCCCC(N)=S Amb18182547 [0,0,0,0,0,0|3,1,0]=4 29 B9R0.55 CC(=O)NCCNC(=O)C Amb2522644 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.55 CC(=O)OCCCC(=C)F Amb22641472 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.55 CC(=O)OCCCC(=O)Cl Amb25174238 [0,0,0,0,0,0|3,0,0]=3 32 B9R0.55 CC(=O)OCCCC(N)=O Amb25333292 [0,0,0,0,0,0|3,0,0]=3 33 B9R0.55 CC(=O)OCCCC(O)=O Amb24480808 [0,0,0,0,0,0|2,0,0]=2 34 B9R0.55 CC(=O)OCCCS(C)=O Amb24387513 [0,0,0,0,0,0|4,0,0]=4 35 B9R0.55 CC(=O)OC\C=C\C(O)=O Amb24454652 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.55 CC(=O)O\C=C\CC(O)=O Amb25844728 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.55 CC(=O)O\N=C/CC(O)=O Amb24392947 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.55 CC(Br)=CCCCC(O)=O Amb25289201 [0,0,0,0,0,0|2,0,1]=3 39 B9R0.55 CC(Br)CCCCC(O)=O Amb25309392 [0,0,0,0,0,0|2,0,1]=3 40 B9R0.55 CC(C)=C=CCCC(O)=O Amb25758070 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.55 CC(C)=CCCCC(O)=O Amb18643939 [0,0,0,0,0,0|2,0,1]=3 42 B9R0.55 CC(C)=CCOCC(O)=O Amb18644115 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.55 CC(C)CCCCC(=O)Cl Amb25067489 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.55 CC(C)CCCCC([O-])=O Amb22732968 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.55 CC(CCCCC(=O)O)C Amb10576144 [0,0,0,0,0,0|2,0,1]=3 46 B9R0.55 CC(CCNCC(=O)O)C Amb1111021 [0,0,0,0,0,0|3,0,1]=4 47 B9R0.55 CC(CCSCC(=O)O)C Amb1137397 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.55 CC(CNCCC(=O)O)C Amb10609230 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.55 CC(CNCCC(=O)O)C Amb2372367 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.55 CC(Cl)=CCSCC(O)=O Amb25295452 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.55 CC(Cl)CCCCC(=O)Cl Amb24633993 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.55 CC(Cl)CCCCC(O)=O Amb18646185 [0,0,0,0,0,0|2,0,1]=3 53 B9R0.55 CC(F)CCCCC(C)=O Amb25145595 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.55 CC(F)COCCC(O)=O Amb25268355 [0,0,0,0,0,0|3,0,1]=4 55 B9R0.55 CC(N)CCCCC(N)=O Amb19515544 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.55 CC(N)CCCCC(O)=O Amb18644199 [0,0,0,0,0,0|2,0,1]=3 57 B9R0.55 CC(N)CCCCC(O)=O Amb19515386 [0,0,0,0,0,0|2,0,1]=3 58 B9R0.55 CC(N)CSCCC(O)=O Amb24435179 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.55 CC(NCCCC(=O)O)C Amb1111231 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.55 CC(O)CCCCC(O)=O Amb18644264 [0,0,0,0,0,0|1,0,1]=2 61 B9R0.55 CC(O)CCNCC(O)=O Amb25369892 [0,0,0,0,0,0|2,0,1]=3 62 B9R0.55 CC(O)CC\C=C\C(O)=O Amb24680771 [0,0,0,0,0,0|1,0,3]=4 63 B9R0.55 CC(O)COCCC(O)=O Amb24746704 [0,0,0,0,0,0|2,0,1]=3 64 B9R0.55 CC(O)CSCCC(O)=O Amb18792572 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.55 CC(O)\C=C\CCC(O)=O Amb24453133 [0,0,0,0,0,0|1,0,3]=4 66 B9R0.55 CN(C)CCCCC(N)=O Amb24715012 [0,0,0,0,0,0|4,0,0]=4 67 B9R0.55 CN(C)CCCCC(O)=O Amb19275569 [0,0,0,0,0,0|3,0,0]=3 68 B9R0.55 CN(C)CCOCC(O)=O Amb20667765 [0,0,0,0,0,0|4,0,0]=4 69 B9R0.55 CN(C)CCOCC(O)=O Amb22059502 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.55 CN(CCSCC(=O)O)C Amb1138164 [0,0,0,0,0,0|4,0,0]=4 71 B9R0.55 CP(=O)CCCCC(O)=O Amb25765822 [0,0,0,0,0,0|2,0,0]=2 72 B9R0.55 CS(=O)CCCCC(O)=O Amb18788305 [0,0,0,0,0,0|2,0,0]=2 73 B9R0.55 CS(=O)CCCNC(N)=O Amb25139044 [0,0,0,0,0,0|4,0,0]=4 74 B9R0.55 CS(=O)CCNCC(O)=O Amb24396496 [0,0,0,0,0,0|3,0,0]=3 75 B9R0.55 CS(=O)CCOCC(O)=O Amb24600087 [0,0,0,0,0,0|3,0,0]=3 76 B9R0.55 CS(=O)NCCCC(O)=O Amb24753135 [0,0,0,0,0,0|3,0,0]=3 77 B9R0.55 C[C@@H](O)CCCCC(C)=O Amb25114746 [0,0,0,0,0,0|2,0,1]=3 78 B9R0.55 C[C@@H](O)CCCCC(O)=O Amb24427549 [0,0,0,0,0,0|1,0,1]=2 79 B9R0.55 C[C@@H](O)CNCCC(N)=O Amb24447126 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.55 C[C@H](N)CCCCC(O)=O Amb25229790 [0,0,0,0,0,0|2,0,1]=3 81 B9R0.55 C[C@H](O)CCCCC(O)=O Amb24671333 [0,0,0,0,0,0|1,0,1]=2 82 B9R0.55 NC(=N)CCCCC(O)=O Amb25147486 [0,0,0,0,0,0|2,0,0]=2 83 B9R0.55 NC(=N)CNCCC(O)=O Amb24394430 [0,0,0,0,0,0|3,0,0]=3 84 B9R0.55 NC(=N)NOCCC(O)=O Amb24409809 [0,0,0,0,0,0|4,0,0]=4 85 B9R0.55 NC(=O)CCCNC(N)=N Amb24477974 [0,0,0,0,0,0|4,0,0]=4 86 B9R0.55 NC(=O)CCCNC(N)=O Amb24705966 [0,0,0,0,0,0|3,0,0]=3 87 B9R0.55 NC(=O)CCCOP(O)=O Amb25078195 [0,0,0,0,0,0|3,0,0]=3 88 B9R0.55 NC(=O)CCOCC(O)=O Amb25146949 [0,0,0,0,0,0|2,0,0]=2 89 B9R0.55 NC(=O)CC\C=C\C(N)=O Amb25111607 [0,0,0,0,0,0|2,0,2]=4 90 B9R0.55 NC(=O)CN\C=C\C(O)=O Amb25342855 [0,0,0,0,0,0|2,0,2]=4 91 B9R0.55 NC(=O)COCCC(N)=O Amb25063003 [0,0,0,0,0,0|3,0,0]=3 92 B9R0.55 NC(=O)CSCC[N+]([O-])=O Amb25048189 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.55 NC(=O)C\C=C\CC(N)=O Amb25856677 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.55 NC(=O)NCCCC(N)=N Amb24442620 [0,0,0,0,0,0|4,0,0]=4 95 B9R0.55 NC(=O)NCCNC(=O)N Amb1146040 [0,0,0,0,0,0|4,0,0]=4 96 B9R0.55 NC(=O)OCCNC(N)=O Amb25775544 [0,0,0,0,0,0|4,0,0]=4 97 B9R0.55 NC(=O)OCCOC(=O)Cl Amb24692809 [0,0,0,0,0,0|4,0,0]=4 98 B9R0.55 NC(=O)\C=C/SCC(O)=O Amb25061265 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.55 NC(=O)\C=C\CCC(O)=O Amb25146295 [0,0,0,0,0,0|1,0,2]=3 100 B9R0.55 NC(=S)CCCCC(N)=S Amb24482239 [0,0,0,0,0,0|2,2,0]=4 101 B9R0.55 NC(=S)CCCNC(N)=O Amb18797989 [0,0,0,0,0,0|3,1,0]=4 102 B9R0.55 NC(=S)CCSCC(N)=O Amb24472463 [0,0,0,0,0,0|3,1,0]=4 103 B9R0.55 NC(=S)NCCCC(N)=O Amb18792352 [0,0,0,0,0,0|3,1,0]=4 104 B9R0.55 O=C(Cl)CCCC=C(F)F Amb24605097 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.55 O=C(Cl)NCCNC(=O)Cl Amb25835035 [0,0,0,0,0,0|4,0,0]=4 106 B9R0.55 O=C(Cl)OCCOC(=O)Cl Amb22337529 [0,0,0,0,0,0|4,0,0]=4 107 B9R0.55 O=C(S)NCCNC(=O)S Amb24476958 [0,0,0,0,0,0|2,2,0]=4 108 B9R0.55 OB(O)CCCCB(O)O Amb25676704 [0,0,0,0,0,0|2,0,2]=4 109 B9R0.55 OB(O)CCSCC(O)=O Amb24652590 [0,0,0,0,0,0|2,0,1]=3 110 B9R0.55 OC(=O)C#CC#CC(O)=O Amb24426898 [0,0,0,0,0,0|0,0,4]=4 111 B9R0.55 OC(=O)C=NOCC(O)=O Amb25175100 [0,0,0,0,0,0|2,0,1]=3 112 B9R0.55 OC(=O)CCC=CC(O)=O Amb20622952 [0,0,0,0,0,0|0,0,2]=2 113 B9R0.55 OC(=O)CCCC=C(Cl)Cl Amb24441631 [0,0,0,0,0,0|2,0,1]=3 114 B9R0.55 OC(=O)CCCCC(Cl)Cl Amb24482330 [0,0,0,0,0,0|2,0,1]=3 115 B9R0.55 OC(=O)CCCCC(O)=O Amb22043229 [0,0,0,0,0,0|0,0,0]=0 116 B9R0.55 OC(=O)CCCCC(O)=O Amb22167453 [0,0,0,0,0,0|0,0,0]=0 117 B9R0.55 OC(=O)CCCCC(O)=O Amb22336279 [0,0,0,0,0,0|0,0,0]=0 118 B9R0.55 OC(=O)CCCCC(O)=O Amb22338188 [0,0,0,0,0,0|0,0,0]=0 119 B9R0.55 OC(=O)CCCCC(O)=O Amb22351345 [0,0,0,0,0,0|0,0,0]=0 120 B9R0.55 OC(=O)CCCCC(O)=O Amb22351401 [0,0,0,0,0,0|0,0,0]=0 121 B9R0.55 OC(=O)CCCCC(O)=O Amb22351452 [0,0,0,0,0,0|0,0,0]=0 122 B9R0.55 OC(=O)CCCCC(O)=O Amb22351586 [0,0,0,0,0,0|0,0,0]=0 123 B9R0.55 OC(=O)CCCCC(O)=O Amb22353360 [0,0,0,0,0,0|0,0,0]=0 124 B9R0.55 OC(=O)CCCCC(O)=O Amb22363211 [0,0,0,0,0,0|0,0,0]=0 125 B9R0.55 OC(=O)CCCNC(=O)N Amb1104859 [0,0,0,0,0,0|2,0,0]=2 126 B9R0.55 OC(=O)CCCNC(S)=S Amb24482221 [0,0,0,0,0,0|1,2,0]=3 127 B9R0.55 OC(=O)CCCSC(C)C Amb17503621 [0,0,0,0,0,0|3,0,1]=4 128 B9R0.55 OC(=O)CCNCC(F)F Amb18179466 [0,0,0,0,0,0|3,0,1]=4 129 B9R0.55 OC(=O)CCSCC(F)F Amb18793590 [0,0,0,0,0,0|3,0,1]=4 130 B9R0.55 OC(=O)CC\C=C\C(O)=O Amb24117843 [0,0,0,0,0,0|0,0,2]=2 131 B9R0.55 OC(=O)CNCCC(F)F Amb24721262 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.55 OC(=O)CNCCC(O)=O Amb18098292 [0,0,0,0,0,0|1,0,0]=1 133 B9R0.55 OC(=O)CNCCS(=O)=O Amb25249489 [0,0,0,0,0,0|2,0,1]=3 134 B9R0.55 OC(=O)CNNCC(O)=O Amb23438062 [0,0,0,0,0,0|2,0,0]=2 135 B9R0.55 OC(=O)COCCC(O)=O Amb25046530 [0,0,0,0,0,0|1,0,0]=1 136 B9R0.55 OC(=O)CSCCC(=O)O Amb17594067 [0,0,0,0,0,0|1,0,0]=1 137 B9R0.55 OC(=O)CSCCC(=S)N Amb17503232 [0,0,0,0,0,0|2,1,0]=3 138 B9R0.55 OC(=O)C\C=C/CC(O)=O Amb25132103 [0,0,0,0,0,0|0,0,2]=2 139 B9R0.55 OC(=O)\C=C\C#CC(O)=O Amb25324015 [0,0,0,0,0,0|0,0,4]=4 140 B9R0.55 OC(=O)\C=C\SCC(O)=O Amb18645625 [0,0,0,0,0,0|1,0,2]=3 141 B9R0.55 O[13C](=O)CCCC[13C](O)=O Amb22338172 [0,0,0,0,0,0|0,0,0]=0 142 B9R0.55 [O-]C(=O)CCCCC(O)=O Amb21934396 [0,0,0,0,0,0|0,0,1]=1 143 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22168121 [0,0,0,0,0,0|0,0,2]=2 144 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22230380 [0,0,0,0,0,0|0,0,2]=2 145 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22732848 [0,0,0,0,0,0|0,0,2]=2 146 B9R0.55 [O-]C(=O)CSSCC([O-])=O Amb24323547 [0,0,0,0,0,0|2,0,2]=4 147 B9R0.55 [O-][N+](=O)CCCCC(O)=O Amb24596293 [0,0,0,0,0,0|1,0,1]=2 148 B9R0.55 [O-][N+](=O)OCCCC(=O)Cl Amb25174230 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.7 BrCCCCCC(=O)O Amb2081955 [1,0,0,0,0,0|1,0,1]=3 150 B8R0.7 C#CCCCCC(N)=O Amb25112030 [1,0,0,0,0,0|2,0,1]=4 151 B8R0.7 C=CCCCCB(O)O Amb20171333 [1,0,0,0,0,0|2,0,1]=4 152 B8R0.7 C=CCCCCC(=O)Cl Amb24528269 [1,0,0,0,0,0|2,0,0]=3 153 B8R0.7 C=CCCCCC(N)=N Amb24622060 [1,0,0,0,0,0|3,0,0]=4 154 B8R0.7 C=CCCCNC(N)=O Amb25834820 [1,0,0,0,0,0|3,0,0]=4 155 B8R0.7 C=CCCNCC(N)=O Amb25746697 [1,0,0,0,0,0|3,0,0]=4 156 B8R0.7 C=CCCNCC(O)=O Amb25308652 [1,0,0,0,0,0|2,0,0]=3 157 B8R0.7 C=CCCOCC(N)=O Amb24502598 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.7 C=CCC\C=C\C(O)=O Amb25756053 [1,0,0,0,0,0|1,0,2]=4 159 B8R0.7 C=CCNCCC(N)=O Amb19960043 [1,0,0,0,0,0|3,0,0]=4 160 B8R0.7 C=CCSCCC(N)=O Amb25828040 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.7 C=CC\C=C\CC(O)=O Amb18642408 [1,0,0,0,0,0|1,0,2]=4 162 B8R0.7 C=CNCCCC(O)=O Amb25146209 [1,0,0,0,0,0|2,0,0]=3 163 B8R0.7 CC(=C)CCOCC=O Amb25275299 [1,0,0,0,0,0|3,0,0]=4 164 B8R0.7 CC(=C)COCCC=O Amb18642652 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.7 CC(=O)CCCCC#C Amb25303675 [1,0,0,0,0,0|2,0,1]=4 166 B8R0.7 CC(=O)CCCCC#N Amb18642300 [1,0,0,0,0,0|2,0,1]=4 167 B8R0.7 CC(=O)CCCCC=C Amb24546961 [1,0,0,0,0,0|2,0,0]=3 168 B8R0.7 CC(=O)CCCCC=O Amb18642609 [1,0,0,0,0,0|1,0,0]=2 169 B8R0.7 CC(=O)CCCCCF Amb25373197 [1,0,0,0,0,0|2,0,1]=4 170 B8R0.7 CC(=O)CCCCCN Amb22641918 [1,0,0,0,0,0|2,0,1]=4 171 B8R0.7 CC(=O)CCCCCN Amb24113384 [1,0,0,0,0,0|2,0,1]=4 172 B8R0.7 CC(=O)CCNCC=C Amb18642536 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.7 CC(=O)CCNCCO Amb24481900 [1,0,0,0,0,0|2,0,1]=4 174 B8R0.7 CC(=O)CCOCCO Amb24691100 [1,0,0,0,0,0|2,0,1]=4 175 B8R0.7 CC(=O)CSCCC=C Amb24481903 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.7 CC(=O)NCCCC=O Amb22896811 [1,0,0,0,0,0|2,0,0]=3 177 B8R0.7 CC(=O)NCCNC=O Amb25707099 [1,0,0,0,0,0|3,0,0]=4 178 B8R0.7 CC(=O)NCCSC=O Amb24670235 [1,0,0,0,0,0|3,0,0]=4 179 B8R0.7 CC(=O)OCCCCO Amb25714960 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.7 CC(=O)SCCCC=O Amb22524698 [1,0,0,0,0,0|2,0,0]=3 181 B8R0.7 CC(=O)SCCCCO Amb25049205 [1,0,0,0,0,0|2,0,1]=4 182 B8R0.7 CC(=O)\C=C/CCC=O Amb24557160 [1,0,0,0,0,0|1,0,2]=4 183 B8R0.7 CC(=O)\C=C\CCC=O Amb18642401 [1,0,0,0,0,0|1,0,2]=4 184 B8R0.7 CC(Br)=CCCCC=O Amb24541185 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.7 CC(C)=CCCCC=O Amb18642458 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.7 CC(C)CCCCC=O Amb18642674 [1,0,0,0,0,0|2,0,1]=4 187 B8R0.7 CC(Cl)CCCCC=O Amb18643832 [1,0,0,0,0,0|2,0,1]=4 188 B8R0.7 CC(O)CCCCC=C Amb25724721 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.7 CC(O)CCCCC=O Amb25366189 [1,0,0,0,0,0|1,0,1]=3 190 B8R0.7 CC(O)COCCC=O Amb18642881 [1,0,0,0,0,0|2,0,1]=4 191 B8R0.7 CCCCCCC([O-])=O Amb22729026 [1,0,0,0,0,0|1,0,2]=4 192 B8R0.7 CCCCCCS(O)=O Amb25213753 [1,0,0,0,0,0|2,0,1]=4 193 B8R0.7 CCCCSCC(=O)O Amb1138789 [1,0,0,0,0,0|2,0,1]=4 194 B8R0.7 CCCNCCC(=O)O Amb2372065 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.7 CCCNCCC(O)=O Amb18633174 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.7 CN(C)CCCCC=O Amb25276429 [1,0,0,0,0,0|3,0,0]=4 197 B8R0.7 CNCCCCC(=O)O Amb10605773 [1,0,0,0,0,0|2,0,0]=3 198 B8R0.7 CNCCCCC(C)=O Amb18642717 [1,0,0,0,0,0|3,0,0]=4 199 B8R0.7 CNCCCCC(O)=O Amb24340485 [1,0,0,0,0,0|2,0,0]=3 200 B8R0.7 CNCCNCC(O)=O Amb25211792 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.7 CNCCOCC(O)=O Amb18630741 [1,0,0,0,0,0|3,0,0]=4 202 B8R0.7 COCCNCC(O)=O Amb19514667 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.7 CONCCCC(O)=O Amb24647348 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.7 CS(=O)CCCCCO Amb25243806 [1,0,0,0,0,0|2,0,1]=4 205 B8R0.7 CS(=O)CCCNC=O Amb24481711 [1,0,0,0,0,0|3,0,0]=4 206 B8R0.7 CSCCCCC(=O)O Amb17503764 [1,0,0,0,0,0|2,0,0]=3 207 B8R0.7 CSCCNCC(O)=O Amb24401934 [1,0,0,0,0,0|3,0,0]=4 208 B8R0.7 CSSCCCC(O)=O Amb25269470 [1,0,0,0,0,0|3,0,0]=4 209 B8R0.7 C[C@@H](O)CCCCC=O Amb22896766 [1,0,0,0,0,0|1,0,1]=3 210 B8R0.7 C\C(\Br)=C/CCCC=O Amb25282714 [1,0,0,0,0,0|2,0,1]=4 211 B8R0.7 C\C(\Cl)=C\CCCC=O Amb24383194 [1,0,0,0,0,0|2,0,1]=4 212 B8R0.7 C\C=C/CCCC(O)=O Amb25314407 [1,0,0,0,0,0|1,0,1]=3 213 B8R0.7 C\C=C\CCCC(C)=O Amb24466633 [1,0,0,0,0,0|2,0,1]=4 214 B8R0.7 C\C=C\CCCC(N)=O Amb24358851 [1,0,0,0,0,0|2,0,1]=4 215 B8R0.7 C\C=C\CCCC(O)=O Amb18642615 [1,0,0,0,0,0|1,0,1]=3 216 B8R0.7 ClCCCCCC(=O)Cl Amb10844967 [1,0,0,0,0,0|2,0,1]=4 217 B8R0.7 N#CCCCCC(=O)O Amb17593332 [1,0,0,0,0,0|1,0,1]=3 218 B8R0.7 N#CCCCCC(=O)[Zn+] Amb24062904 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.7 N#CCCSCC(=O)O Amb17502363 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.7 NC(=N)NCCCC=O Amb25367020 [1,0,0,0,0,0|3,0,0]=4 221 B8R0.7 NC(=O)CCCCC#N Amb24108037 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.7 NC(=O)CCCCCO Amb22524369 [1,0,0,0,0,0|1,0,1]=3 223 B8R0.7 NC(=O)CCCNC=O Amb24725181 [1,0,0,0,0,0|2,0,0]=3 224 B8R0.7 NC(=O)CCC\C=C\Br Amb24480015 [1,0,0,0,0,0|2,0,1]=4 225 B8R0.7 NC(=O)CCC\C=C\Cl Amb24409832 [1,0,0,0,0,0|2,0,1]=4 226 B8R0.7 NC(=O)CCNCCO Amb19960060 [1,0,0,0,0,0|2,0,1]=4 227 B8R0.7 NC(=O)CSCCC=O Amb25784424 [1,0,0,0,0,0|2,0,0]=3 228 B8R0.7 NC(=O)NCCCCO Amb25146104 [1,0,0,0,0,0|2,0,1]=4 229 B8R0.7 NC(=O)OCCNC=O Amb25219631 [1,0,0,0,0,0|3,0,0]=4 230 B8R0.7 NC(=S)CCCCCO Amb24562810 [1,0,0,0,0,0|1,1,1]=4 231 B8R0.7 NC(=S)CCCNC=O Amb25256382 [1,0,0,0,0,0|2,1,0]=4 232 B8R0.7 NCCCCCC(=O)Cl Amb17142873 [1,0,0,0,0,0|2,0,1]=4 233 B8R0.7 NCCCCCC(=O)O Amb17607928 [1,0,0,0,0,0|1,0,1]=3 234 B8R0.7 NCCCCCC(=O)O Amb1905625 [1,0,0,0,0,0|1,0,1]=3 235 B8R0.7 NCCCNCC(O)=O Amb22733138 [1,0,0,0,0,0|2,0,1]=4 236 B8R0.7 NCCCNCC(O)=O Amb25848815 [1,0,0,0,0,0|2,0,1]=4 237 B8R0.7 NCCCOCC(O)=O Amb18111435 [1,0,0,0,0,0|2,0,1]=4 238 B8R0.7 NCCCSCC(=O)O Amb17500676 [1,0,0,0,0,0|2,0,1]=4 239 B8R0.7 NCCNCCC(O)=O Amb20668304 [1,0,0,0,0,0|2,0,1]=4 240 B8R0.7 NCCNCCC(O)=O Amb22058790 [1,0,0,0,0,0|2,0,1]=4 241 B8R0.7 NCCOCCC(O)=O Amb18630461 [1,0,0,0,0,0|2,0,1]=4 242 B8R0.7 NCCSCCC(O)=O Amb21988844 [1,0,0,0,0,0|2,0,1]=4 243 B8R0.7 NOCCCCC(=O)O Amb10975955 [1,0,0,0,0,0|2,0,0]=3 244 B8R0.7 O=CCCCC=C(F)F Amb25827646 [1,0,0,0,0,0|2,0,1]=4 245 B8R0.7 O=CCCCOC(=O)C Amb17593367 [1,0,0,0,0,0|2,0,0]=3 246 B8R0.7 O=COCCCC(=O)C Amb1033032 [1,0,0,0,0,0|2,0,0]=3 247 B8R0.7 OC(=O)C#CCCC=O Amb24549556 [1,0,0,0,0,0|0,0,2]=3 248 B8R0.7 OC(=O)CCCCC=O Amb18642763 [1,0,0,0,0,0|0,0,0]=1 249 B8R0.7 OC(=O)CCCCCCl Amb18796646 [1,0,0,0,0,0|1,0,1]=3 250 B8R0.7 OC(=O)CCCCCI Amb22736492 [1,0,0,0,0,0|1,0,1]=3 251 B8R0.7 OC(=O)CCCCCS Amb18644374 [1,0,0,0,0,0|0,1,1]=3 252 B8R0.7 OC(=O)CCCNC=O Amb18305404 [1,0,0,0,0,0|1,0,0]=2 253 B8R0.7 OC(=O)CCC\C=C\Br Amb24518554 [1,0,0,0,0,0|1,0,1]=3 254 B8R0.7 OC(=O)CCC\C=C\Cl Amb18644381 [1,0,0,0,0,0|1,0,1]=3 255 B8R0.7 OC(=O)CCNCN=O Amb25311838 [1,0,0,0,0,0|2,0,0]=3 256 B8R0.7 OC(=O)CCOCCBr Amb24057757 [1,0,0,0,0,0|2,0,1]=4 257 B8R0.7 OC(=O)CCSCCCl Amb24097450 [1,0,0,0,0,0|2,0,1]=4 258 B8R0.7 OC(=O)CCSCCS Amb18126456 [1,0,0,0,0,0|1,1,1]=4 259 B8R0.7 OC(=O)CC\C=C\C=C Amb10605294 [1,0,0,0,0,0|1,0,2]=4 260 B8R0.7 OC(=O)CNCCCBr Amb25765814 [1,0,0,0,0,0|2,0,1]=4 261 B8R0.7 OC(=O)CNCCCS Amb25268354 [1,0,0,0,0,0|1,1,1]=4 262 B8R0.7 OC(=O)CN\C=C\C=O Amb25223016 [1,0,0,0,0,0|1,0,2]=4 263 B8R0.7 OC(=O)COCCCBr Amb24594816 [1,0,0,0,0,0|2,0,1]=4 264 B8R0.7 OC(=O)COCCCF Amb24481828 [1,0,0,0,0,0|2,0,1]=4 265 B8R0.7 OC(=O)CSCCCBr Amb25771711 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.7 OC(=O)CSCCCCl Amb18126548 [1,0,0,0,0,0|2,0,1]=4 267 B8R0.7 OC(=O)CSCCCF Amb25676986 [1,0,0,0,0,0|2,0,1]=4 268 B8R0.7 OC(=O)CS\C=C\C=O Amb25230965 [1,0,0,0,0,0|1,0,2]=4 269 B8R0.7 OC(=O)C\C=C/CC=O Amb25050861 [1,0,0,0,0,0|0,0,2]=3 270 B8R0.7 OCCCCNC(=O)C Amb17102977 [1,0,0,0,0,0|2,0,1]=4 271 B8R0.7 OCCCSCC(=O)C Amb17502845 [1,0,0,0,0,0|2,0,1]=4 272 B8R0.7 OCCC\C=C\C(O)=O Amb18642790 [1,0,0,0,0,0|0,0,3]=4 273 B8R0.7 OCCNCCC(=O)O Amb1110010 [1,0,0,0,0,0|1,0,1]=3 274 B8R0.7 OC\C=C\CCC(O)=O Amb24639124 [1,0,0,0,0,0|0,0,3]=4 275 B8R0.7 [N-]=[N+]=NCCCC(=O)O Amb10575820 [1,0,0,0,0,0|3,0,0]=4 276 B8R0.7 [O-]C(=O)CCCCCO Amb22491268 [1,0,0,0,0,0|0,0,2]=3 277 B10R0.15 CC(=O)NCCCS(O)(=O)=O Amb22735135 [0,1,0,0,0,0|3,0,0]=4 278 B10R0.15 CS(C)(=O)=NCCCC(O)=O Amb24755417 [0,1,0,0,0,0|3,0,0]=4 279 B10R0.15 OC(=O)CCCCC(C)(C)C Amb17593968 [0,1,0,0,0,0|2,0,1]=4 280 B10R0.15 OC(=O)CCCCC(F)(F)F Amb24063167 [0,1,0,0,0,0|2,0,1]=4 281 B10R0.15 OC(=O)CCCCS(=O)(=O)C Amb17503797 [0,1,0,0,0,0|1,0,1]=3 282 B10R0.15 OC(=O)CCCC[B-](F)(F)F Amb22739978 [0,1,0,0,0,0|3,0,0]=4 283 B10R0.15 OC(=O)CCCNS(=O)(=O)C Amb1112006 [0,1,0,0,0,0|2,0,1]=4 284 B10R0.15 OC(=O)CCCSS(=O)(=O)C Amb17610587 [0,1,0,0,0,0|2,0,1]=4 285 B10R0.15 [2H]C([2H])([2H])CCCCC(O)=O Amb21928740 [0,1,0,0,0,0|2,0,1]=4 286 B10R0.55 C#CC(=O)NCCCC(N)=O Amb25382616 [0,1,0,0,0,0|3,0,0]=4 287 B10R0.55 CC(=O)CCCCC(=O)OC Amb21858863 [0,1,0,0,0,0|1,0,0]=2 288 B10R0.55 CC(=O)NCCCC(=O)NN Amb24750804 [0,1,0,0,0,0|3,0,0]=4 289 B10R0.55 CC(=O)NCCCC(N)=NO Amb18182415 [0,1,0,0,0,0|3,0,0]=4 290 B10R0.55 CC(CCCNC(C)=O)=NO Amb25384724 [0,1,0,0,0,0|3,0,0]=4 291 B10R0.55 CCC(=O)NCCCC(=O)O Amb1121482 [0,1,0,0,0,0|2,0,0]=3 292 B10R0.55 CCC(C)CCCCC(O)=O Amb24271145 [0,1,0,0,0,0|2,0,1]=4 293 B10R0.55 CNC(=O)NCCCC(O)=O Amb18305512 [0,1,0,0,0,0|2,0,0]=3 294 B10R0.55 COC(=O)C#CCCC(=O)Cl Amb25810819 [0,1,0,0,0,0|1,0,2]=4 295 B10R0.55 COC(=O)C#CCCC(O)=O Amb24487874 [0,1,0,0,0,0|0,0,2]=3 296 B10R0.55 COC(=O)CCCCC(C)C Amb22887139 [0,1,0,0,0,0|2,0,1]=4 297 B10R0.55 COC(=O)CCCCC(C)N Amb19515545 [0,1,0,0,0,0|2,0,1]=4 298 B10R0.55 COC(=O)CCCCC([O-])=O Amb22230948 [0,1,0,0,0,0|0,0,1]=2 299 B10R0.55 COC(=O)CCCNC(N)=N Amb22360026 [0,1,0,0,0,0|3,0,0]=4 300 B10R0.55 COC(=O)CN\C=C\C(O)=O Amb25381551 [0,1,0,0,0,0|1,0,2]=4 301 B10R0.55 COC(=O)NCC#CC(O)=O Amb24487929 [0,1,0,0,0,0|1,0,2]=4 302 B10R0.55 NC(=O)CCCNC(=O)NN Amb18179961 [0,1,0,0,0,0|3,0,0]=4 303 B10R0.55 NC(CCCNC(N)=O)=NO Amb18182508 [0,1,0,0,0,0|3,0,0]=4 304 B10R0.55 NC(NCCCC(N)=O)=NO Amb18183402 [0,1,0,0,0,0|3,0,0]=4 305 B10R0.55 NCC(=O)NCCCC(O)=O Amb18182502 [0,1,0,0,0,0|2,0,0]=3 306 B10R0.55 OC(=O)CCCCC(F)CBr Amb22547639 [0,1,0,0,0,0|2,0,1]=4 307 B10R0.96 CC(=CC(O)=O)SCC(O)=O Amb25384901 [0,1,0,0,0,0|1,0,2]=4 308 B10R0.96 CC(=O)CC(=O)NCC(O)=O Amb19011373 [0,1,0,0,0,0|2,0,1]=4 309 B10R0.96 CC(=O)CC(C)=NCC(O)=O Amb25384127 [0,1,0,0,0,0|2,0,1]=4 310 B10R0.96 CC(=O)CCC(C)NC(C)=O Amb25385797 [0,1,0,0,0,0|3,0,0]=4 311 B10R0.96 CC(=O)NCC(C)CC(O)=O Amb25385229 [0,1,0,0,0,0|2,0,0]=3 312 B10R0.96 CC(=O)NC[C@H](C)CC(O)=O Amb25384945 [0,1,0,0,0,0|2,0,0]=3 313 B10R0.96 CC(=O)NN(C)CCC(O)=O Amb24764551 [0,1,0,0,0,0|3,0,0]=4 314 B10R0.96 CC(C)=CC(O)CCC(O)=O Amb25384601 [0,1,0,0,0,0|2,0,1]=4 315 B10R0.96 CC(C)=CCC(C)CC(O)=O Amb25381501 [0,1,0,0,0,0|2,0,1]=4 316 B10R0.96 CC(C)=C[C@H](C)CCC(O)=O Amb25386227 [0,1,0,0,0,0|2,0,1]=4 317 B10R0.96 CC(C)CC(C)CCC(O)=O Amb22641855 [0,1,0,0,0,0|2,0,1]=4 318 B10R0.96 CC(C)CC(O)CCC(O)=O Amb18797782 [0,1,0,0,0,0|2,0,1]=4 319 B10R0.96 CC(CC(O)=O)=NCC(O)=O Amb25385177 [0,1,0,0,0,0|1,0,1]=3 320 B10R0.96 CC(CC(O)=O)CNC(N)=O Amb24755267 [0,1,0,0,0,0|2,0,0]=3 321 B10R0.96 CC(O)=CC(=O)CCC(O)=O Amb25386411 [0,1,0,0,0,0|1,0,2]=4 322 B10R0.96 NC(=N)NC[C@H](O)CC(O)=O Amb25386387 [0,1,0,0,0,0|3,0,0]=4 323 B10R0.96 NC(=O)CC[C@@H](N)CC(O)=O Amb22746285 [0,1,0,0,0,0|1,0,0]=2 324 B10R0.96 NC(=O)CC[C@H](N)CC(O)=O Amb22348459 [0,1,0,0,0,0|1,0,0]=2 325 B10R0.96 NC(=O)CNC(=O)CC(O)=O Amb18315747 [0,1,0,0,0,0|2,0,1]=4 326 B10R0.96 NC(CC(O)=O)CCC(O)=O Amb22552564 [0,1,0,0,0,0|0,0,0]=1 327 B10R0.96 N[C@@H](CC(O)=O)CCC(O)=O Amb22750585 [0,1,0,0,0,0|0,0,0]=1 328 B10R0.96 OC(=O)CCC(=O)CC(=O)C Amb10843902 [0,1,0,0,0,0|1,0,1]=3 329 B10R0.96 OC(=O)CCC(=O)CC(O)=O Amb17689277 [0,1,0,0,0,0|0,0,1]=2 330 B10R0.96 OC(=O)CC[C@@H](CC(=O)O)N Amb16232070 [0,1,0,0,0,0|0,0,0]=1 331 B10R0.96 OC(=O)CNC(=O)CC(O)=O Amb18800491 [0,1,0,0,0,0|1,0,1]=3 332 B10R0.96 OC(=O)C[13CH2][13C](=O)[13CH2][13C](=O)[13CH3] Amb17620214 [0,1,0,0,0,0|1,0,1]=3 333 B10R0.96 OC(CC(O)=O)CCC(O)=O Amb22727761 [0,1,0,0,0,0|0,0,0]=1 334 B10R0.96 [13C](=C[C@H](CCC(=O)O)N)([2H])[2H] Amb17621249 [0,1,0,0,0,0|2,0,1]=4 335 B10R0.98 CC(=NOCC(O)=O)C(O)=O Amb25384896 [0,1,0,0,0,0|2,0,1]=4 336 B10R0.98 CC(=O)CC\C=C(/C)\C(O)=O Amb18125973 [0,1,0,0,0,0|1,0,2]=4 337 B10R0.98 CC(=O)NCCC(N)C(O)=O Amb25385160 [0,1,0,0,0,0|2,0,0]=3 338 B10R0.98 CC(=O)NCC[C@@H](C)C(O)=O Amb25384439 [0,1,0,0,0,0|2,0,0]=3 339 B10R0.98 CC(=O)NCC[C@H](C)C(O)=O Amb25384440 [0,1,0,0,0,0|2,0,0]=3 340 B10R0.98 CC(=O)NOCC(N)C(O)=O Amb25385232 [0,1,0,0,0,0|3,0,0]=4 341 B10R0.98 CC(=O)NSCC(C)C(O)=O Amb21929061 [0,1,0,0,0,0|3,0,0]=4 342 B10R0.98 CC(=O)OCCC(C(=O)C)Cl Amb16234124 [0,1,0,0,0,0|3,0,0]=4 343 B10R0.98 CC(=O)OCC[C@@H](N)C(O)=O Amb19130288 [0,1,0,0,0,0|2,0,0]=3 344 B10R0.98 CC(C)=CCCC(C)C(O)=O Amb18644857 [0,1,0,0,0,0|2,0,1]=4 345 B10R0.98 CC(C)=CCCC(O)C(O)=O Amb24762777 [0,1,0,0,0,0|2,0,1]=4 346 B10R0.98 CC(C)=CCC[C@@H](C)C(O)=O Amb25385187 [0,1,0,0,0,0|2,0,1]=4 347 B10R0.98 CC(C)=CCC[C@H](C)C(O)=O Amb25384978 [0,1,0,0,0,0|2,0,1]=4 348 B10R0.98 CC(C)=CCC[C@H](N)C(O)=O Amb25383796 [0,1,0,0,0,0|2,0,1]=4 349 B10R0.98 CC(C)CCC[C@@H](N)C(O)=O Amb22745714 [0,1,0,0,0,0|2,0,1]=4 350 B10R0.98 CC(CCCC(=O)Cl)C(=O)Cl Amb22230918 [0,1,0,0,0,0|2,0,0]=3 351 B10R0.98 CC(CCCC(C)N)C(O)=O Amb19337779 [0,1,0,0,0,0|2,0,1]=4 352 B10R0.98 CC(CCCC(C)N)C(O)=O Amb22059651 [0,1,0,0,0,0|2,0,1]=4 353 B10R0.98 CC(CCCC(O)=O)C(O)=O Amb18645273 [0,1,0,0,0,0|0,0,0]=1 354 B10R0.98 CC(NCCC(O)=O)C(O)=O Amb18098310 [0,1,0,0,0,0|1,0,0]=2 355 B10R0.98 CC(S\C=C\C(O)=O)C(O)=O Amb18647961 [0,1,0,0,0,0|1,0,2]=4 356 B10R0.98 C\C(=C/CCC(O)=O)\C(O)=O Amb25385138 [0,1,0,0,0,0|0,0,2]=3 357 B10R0.98 NC(=N)NCCC(C(=O)O)N Amb16233058 [0,1,0,0,0,0|3,0,0]=4 358 B10R0.98 NC(=N)NCC[C@@H](N)C(O)=O Amb22745595 [0,1,0,0,0,0|3,0,0]=4 359 B10R0.98 NC(=N)NCC[C@H](N)C(O)=O Amb20240584 [0,1,0,0,0,0|3,0,0]=4 360 B10R0.98 NC(=O)CCCC(C(=O)O)N Amb17614984 [0,1,0,0,0,0|1,0,0]=2 361 B10R0.98 NC(=O)NCCC(N)C(O)=O Amb25386183 [0,1,0,0,0,0|2,0,0]=3 362 B10R0.98 NC(=O)NCCC(S)C(O)=O Amb25385685 [0,1,0,0,0,0|2,0,0]=3 363 B10R0.98 NC(=O)NCC[C@@H](N)C(O)=O Amb25385246 [0,1,0,0,0,0|2,0,0]=3 364 B10R0.98 NC(=O)NCC[C@H](N)C(O)=O Amb25386286 [0,1,0,0,0,0|2,0,0]=3 365 B10R0.98 NC(=O)NCC[C@H](S)C(O)=O Amb25385201 [0,1,0,0,0,0|2,0,0]=3 366 B10R0.98 NC(CCCC(O)=O)C(O)=O Amb22740152 [0,1,0,0,0,0|0,0,0]=1 367 B10R0.98 NC(CCCC([O-])=O)C([O-])=O Amb22053651 [0,1,0,0,0,0|0,0,2]=3 368 B10R0.98 NC(CSCC(O)=O)C(O)=O Amb23566716 [0,1,0,0,0,0|1,0,0]=2 369 B10R0.98 NC(C\C=C\C(O)=O)C(O)=O Amb18126177 [0,1,0,0,0,0|0,0,2]=3 370 B10R0.98 NC(N)=NCCC(N)C(O)=O Amb22492813 [0,1,0,0,0,0|3,0,0]=4 371 B10R0.98 NC(N=NCC(O)=O)C(O)=O Amb25384237 [0,1,0,0,0,0|2,0,0]=3 372 B10R0.98 NC(\N=N/CC(O)=O)C(O)=O Amb25383166 [0,1,0,0,0,0|2,0,0]=3 373 B10R0.98 N[C@@H](C\C=C\C(O)=O)C(O)=O Amb24763009 [0,1,0,0,0,0|0,0,2]=3 374 B10R0.98 N[C@H](CSCC(O)=O)C(O)=O Amb22745445 [0,1,0,0,0,0|1,0,0]=2 375 B10R0.98 N[C@H](C\C=C\C(O)=O)C(O)=O Amb25383155 [0,1,0,0,0,0|0,0,2]=3 376 B10R0.98 OC(=O)C(=O)C\C=C\C(O)=O Amb24766946 [0,1,0,0,0,0|0,0,3]=4 377 B10R0.98 OC(=O)C(Cl)CCC=C(Cl)Cl Amb25384501 [0,1,0,0,0,0|2,0,1]=4 378 B10R0.98 OC(=O)C(O)\C=C\CC(O)=O Amb25383439 [0,1,0,0,0,0|0,0,2]=3 379 B10R0.98 OC(=O)CCCC(Cl)=C(Cl)Cl Amb25385953 [0,1,0,0,0,0|2,0,1]=4 380 B10R0.98 OC(=O)CCCC(O)C(O)=O Amb21963897 [0,1,0,0,0,0|0,0,0]=1 381 B10R0.98 OC(=O)CCC[C@H](O)C(O)=O Amb22270000 [0,1,0,0,0,0|0,0,0]=1 382 B10R0.98 OC(=O)CCSC(C(=O)O)C Amb17501234 [0,1,0,0,0,0|1,0,0]=2 383 B10R0.98 OC(=O)CONC(=O)C(=O)O Amb16185780 [0,1,0,0,0,0|2,0,1]=4 384 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N Amb16232500 [0,1,0,0,0,0|1,0,0]=2 385 B10R0.98 OC(=O)\C(\O)=C/SCC(O)=O Amb25386410 [0,1,0,0,0,0|1,0,2]=4 386 B10R0.98 [O-]C(=O)CCCC(O)C([O-])=O Amb22284811 [0,1,0,0,0,0|0,0,2]=3 387 B10R1.54 C=C1CC(CC(O)=O)CC1 Amb25354325 [0,0,0,1,0,0|2,0,0]=3 388 B10R1.54 CC(=C)CC1CC(=O)CC1 Amb24632315 [0,0,0,1,0,0|3,0,0]=4 389 B10R1.54 CC(=C)C[C@@H]1CCC(=O)N1 Amb24377159 [0,0,0,1,0,0|3,0,0]=4 390 B10R1.54 CC(=O)CC1CCC(=O)N1 Amb18831756 [0,0,0,1,0,0|2,0,0]=3 391 B10R1.54 CC(=O)CC1CCC(=O)O1 Amb25146882 [0,0,0,1,0,0|1,0,0]=2 392 B10R1.54 CC(=O)C[C@H]1CC(=O)CC1 Amb25768398 [0,0,0,1,0,0|2,0,0]=3 393 B10R1.54 CC(=O)C[C@H]1CC[C@@H](O)C1 Amb24631135 [0,0,0,1,0,0|2,0,1]=4 394 B10R1.54 CC(=O)OC1CC(=O)CC1 Amb25767701 [0,0,0,1,0,0|3,0,0]=4 395 B10R1.54 CC(=O)OC1CCC(=O)[N-]1 Amb22053639 [0,0,0,1,0,0|3,0,0]=4 396 B10R1.54 CC(=O)SC1CCC(=O)N1 Amb24639649 [0,0,0,1,0,0|3,0,0]=4 397 B10R1.54 CC(O)CC1CCC(=O)N1 Amb25094518 [0,0,0,1,0,0|2,0,1]=4 398 B10R1.54 CC(O)CC1CCC(=O)O1 Amb24734826 [0,0,0,1,0,0|1,0,1]=3 399 B10R1.54 CC1=NN(CC1)CC(=O)O Amb10608429 [0,0,0,1,0,0|3,0,0]=4 400 B10R1.54 CC1CC(CC1)CC(O)=O Amb18643912 [0,0,0,1,0,0|2,0,1]=4 401 B10R1.54 CC1CCC(CC(O)=O)O1 Amb24715878 [0,0,0,1,0,0|1,0,1]=3 402 B10R1.54 CC=1CCN(CC(O)=O)N1 Amb21959682 [0,0,0,1,0,0|3,0,0]=4 403 B10R1.54 CN(C)C[C@@H]1CCC(=O)O1 Amb24505268 [0,0,0,1,0,0|3,0,0]=4 404 B10R1.54 CN(C)C[C@H]1CCC(=O)O1 Amb24480638 [0,0,0,1,0,0|3,0,0]=4 405 B10R1.54 CN1CC(CC(O)=O)CC1 Amb21857556 [0,0,0,1,0,0|3,0,0]=4 406 B10R1.54 NC(=N)CC1CNC(=O)O1 Amb24629494 [0,0,0,1,0,0|3,0,0]=4 407 B10R1.54 NC(=O)CC1C=CC(=O)O1 Amb24382507 [0,0,0,1,0,0|1,0,2]=4 408 B10R1.54 NC(=O)CC1CCC(=O)N1 Amb24480789 [0,0,0,1,0,0|2,0,0]=3 409 B10R1.54 NC(=O)CC1COC(=O)N1 Amb24707993 [0,0,0,1,0,0|3,0,0]=4 410 B10R1.54 NC(=O)CN1CC(=O)CC1 Amb24539912 [0,0,0,1,0,0|3,0,0]=4 411 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Amb10066892 [0,0,0,1,0,0|2,0,1]=4 412 B10R1.54 N[C@@H]1CC[C@H](C1)CC(=O)O Amb10066890 [0,0,0,1,0,0|2,0,1]=4 413 B10R1.54 N[C@H]1CC[C@@H](C1)CC(=O)O Amb10066891 [0,0,0,1,0,0|2,0,1]=4 414 B10R1.54 N[C@H]1CC[C@H](C1)CC(=O)O Amb10066912 [0,0,0,1,0,0|2,0,1]=4 415 B10R1.54 O=C(Cl)CC1CCC(Cl)O1 Amb24710224 [0,0,0,1,0,0|2,0,1]=4 416 B10R1.54 OC(=O)CC1=CCC(=O)O1 Amb25703174 [0,0,0,1,0,0|0,0,2]=3 417 B10R1.54 OC(=O)CC1CC(=O)C=C1 Amb25831069 [0,0,0,1,0,0|1,0,2]=4 418 B10R1.54 OC(=O)CC1CC(=O)CC1 Amb18643816 [0,0,0,1,0,0|1,0,0]=2 419 B10R1.54 OC(=O)CC1CC(=O)NC1 Amb18831602 [0,0,0,1,0,0|2,0,0]=3 420 B10R1.54 OC(=O)CC1CC(=O)OC1 Amb20669416 [0,0,0,1,0,0|2,0,0]=3 421 B10R1.54 OC(=O)CC1CCC(=O)N1 Amb2372619 [0,0,0,1,0,0|1,0,0]=2 422 B10R1.54 OC(=O)CC1CCC(F)C1 Amb24679226 [0,0,0,1,0,0|2,0,1]=4 423 B10R1.54 OC(=O)CC1CNC(=O)O1 Amb18644185 [0,0,0,1,0,0|1,0,0]=2 424 B10R1.54 OC(=O)CC1CSC(=N)N1 Amb17688035 [0,0,0,1,0,0|3,0,0]=4 425 B10R1.54 OC(=O)CC1CSC(=O)S1 Amb25108490 [0,0,0,1,0,0|1,1,0]=3 426 B10R1.54 OC(=O)CC1NC(=O)CS1 Amb24482236 [0,0,0,1,0,0|2,0,0]=3 427 B10R1.54 OC(=O)CN1C=CC(=O)O1 Amb25340496 [0,0,0,1,0,0|1,0,2]=4 428 B10R1.54 OC(=O)CN1CC(=O)CC1 Amb22496571 [0,0,0,1,0,0|2,0,0]=3 429 B10R1.54 OC(=O)CN1CCC(=O)N1 Amb25208783 [0,0,0,1,0,0|2,0,0]=3 430 B10R1.54 OC(=O)C[C@@H]1CC(=O)C=C1 Amb24746679 [0,0,0,1,0,0|1,0,2]=4 431 B10R1.54 OC(=O)C[C@@H]1CC(=O)CC1 Amb22898751 [0,0,0,1,0,0|1,0,0]=2 432 B10R1.54 OC(=O)C[C@@H]1CCC(=O)N1 Amb22587587 [0,0,0,1,0,0|1,0,0]=2 433 B10R1.54 OC(=O)C[C@@H]1CCC(=O)O1 Amb22746828 [0,0,0,1,0,0|0,0,0]=1 434 B10R1.54 OC(=O)C[C@@H]1CNC(=O)O1 Amb25147304 [0,0,0,1,0,0|1,0,0]=2 435 B10R1.54 OC(=O)C[C@H]1C=CC(=O)O1 Amb25069009 [0,0,0,1,0,0|0,0,2]=3 436 B10R1.54 OC(=O)C[C@H]1CC(=O)CC1 Amb24480441 [0,0,0,1,0,0|1,0,0]=2 437 B10R1.54 OC(=O)C[C@H]1CC(=O)NC1 Amb24410373 [0,0,0,1,0,0|2,0,0]=3 438 B10R1.54 OC(=O)C[C@H]1CCC(=O)N1 Amb22587585 [0,0,0,1,0,0|1,0,0]=2 439 B10R1.54 OC(=O)C[C@H]1CNC(=O)O1 Amb24529265 [0,0,0,1,0,0|1,0,0]=2 440 B10R1.54 OC(=O)C[C@H]1COC(=O)N1 Amb25744486 [0,0,0,1,0,0|2,0,0]=3 441 B10R1.54 OC(=O)\C=C/1\CCC(=O)N1 Amb24561894 [0,0,0,1,0,0|1,0,2]=4 442 B10R1.54 OC1CN(CC(O)=O)CC1 Amb22001816 [0,0,0,1,0,0|2,0,1]=4 443 B10R1.54 OC1CNC(C1)CC(O)=O Amb25082530 [0,0,0,1,0,0|2,0,1]=4 444 B10R1.54 O[C@@H]1CN[C@@H](C1)CC(O)=O Amb24621981 [0,0,0,1,0,0|2,0,1]=4 445 B10R1.54 O[C@@H]1CN[C@H](C1)CC(O)=O Amb22756736 [0,0,0,1,0,0|2,0,1]=4 446 B10R1.54 O[C@@H]1CN[C@H](C1)CC(O)=O Amb25174785 [0,0,0,1,0,0|2,0,1]=4 447 B10R1.54 O[C@H]1CN[C@H](C1)CC(O)=O Amb24597596 [0,0,0,1,0,0|2,0,1]=4 448 B10R1.54 [O-][N+](=O)CC1CC(=O)CC1 Amb21964316 [0,0,0,1,0,0|2,0,1]=4 449 B10R1.71 O=C1CCCCC(=O)C=C1 Amb24478182 [0,0,0,1,0,0|2,0,0]=3 450 B10R1.71 O=C1CCCNC(=O)CO1 Amb24504877 [0,0,0,1,0,0|2,0,0]=3 451 B10R1.71 O=C1CNC(=O)CCCN1 Amb25324415 [0,0,0,1,0,0|3,0,0]=4 452 B10R1.71 O[C@H]1CCCCC(=O)C=C1 Amb25116428 [0,0,0,1,0,0|2,0,1]=4 453 B10R1.82 CC(=O)CCC1CC(=O)O1 Amb24480561 [0,0,0,1,0,0|1,0,0]=2 454 B10R1.82 CC(=O)CSC1CC(=O)N1 Amb24662919 [0,0,0,1,0,0|3,0,0]=4 455 B10R1.82 CC1CC(CCC(O)=O)C1 Amb23570781 [0,0,0,1,0,0|2,0,1]=4 456 B10R1.82 OC(=O)CCC1CC(=O)C1 Amb25770415 [0,0,0,1,0,0|1,0,0]=2 457 B10R1.82 OC(=O)CS[C@@H]1CC(=O)N1 Amb24635723 [0,0,0,1,0,0|2,0,0]=3 458 B10R1.82 OC1CN(C1)CCC(O)=O Amb24409783 [0,0,0,1,0,0|2,0,1]=4 459 B10R1.113 C=C1CC(CCC1)C(O)=O Amb24480810 [0,0,0,1,0,0|2,0,0]=3 460 B10R1.113 CC(=C)[C@@H]1CCCC(=O)N1 Amb24428930 [0,0,0,1,0,0|3,0,0]=4 461 B10R1.113 CC(=O)C1CC(=O)CCC1 Amb25785645 [0,0,0,1,0,0|2,0,0]=3 462 B10R1.113 CC(=O)C1CC(=O)NCC1 Amb24511548 [0,0,0,1,0,0|3,0,0]=4 463 B10R1.113 CC(=O)C1CCCC(=O)O1 Amb24662042 [0,0,0,1,0,0|1,0,0]=2 464 B10R1.113 CC(=O)C1CCCC(O)C1 Amb25859196 [0,0,0,1,0,0|2,0,1]=4 465 B10R1.113 CC(=O)C1CCCC(O)O1 Amb25295371 [0,0,0,1,0,0|1,0,2]=4 466 B10R1.113 CC(=O)N1CC(=O)CCC1 Amb18831760 [0,0,0,1,0,0|3,0,0]=4 467 B10R1.113 CC(=O)[C@@H]1CC(=O)CCC1 Amb24686405 [0,0,0,1,0,0|2,0,0]=3 468 B10R1.113 CC(=O)[C@@H]1CCC[C@@H](O)C1 Amb24533315 [0,0,0,1,0,0|2,0,1]=4 469 B10R1.113 CC(O)C1CCCC(=O)O1 Amb25085417 [0,0,0,1,0,0|1,0,1]=3 470 B10R1.113 CC1=CCCC(O1)C(C)=O Amb25146787 [0,0,0,1,0,0|2,0,1]=4 471 B10R1.113 CC1CCCC(N1)C(O)=O Amb19959953 [0,0,0,1,0,0|2,0,1]=4 472 B10R1.113 CC1CCCC(O1)C(C)=O Amb24408940 [0,0,0,1,0,0|2,0,1]=4 473 B10R1.113 CC1CCCC(O1)C(O)=O Amb24529278 [0,0,0,1,0,0|1,0,1]=3 474 B10R1.113 CC1CCNC(O1)C(O)=O Amb25702339 [0,0,0,1,0,0|2,0,1]=4 475 B10R1.113 CC1CCOC(O1)C(O)=O Amb24524607 [0,0,0,1,0,0|2,0,1]=4 476 B10R1.113 CC1OC(CCO1)C(O)=O Amb24502216 [0,0,0,1,0,0|2,0,1]=4 477 B10R1.113 CC=1CC(CCC1)C(O)=O Amb18643566 [0,0,0,1,0,0|2,0,1]=4 478 B10R1.113 CC=1CCCC(C1)C(=O)Cl Amb25044988 [0,0,0,1,0,0|3,0,0]=4 479 B10R1.113 CC=1CCCC(N1)C(O)=O Amb25300583 [0,0,0,1,0,0|2,0,0]=3 480 B10R1.113 CC=1CCC[C@H](N1)C(O)=O Amb24549209 [0,0,0,1,0,0|2,0,0]=3 481 B10R1.113 CC=1NCC[C@H](N1)C(O)=O Amb22348409 [0,0,0,1,0,0|3,0,0]=4 482 B10R1.113 CN1C[C@@H](CCC1)C(O)=O Amb22751960 [0,0,0,1,0,0|3,0,0]=4 483 B10R1.113 C[C@@H](O)[C@@H]1CCCC(=O)O1 Amb24719597 [0,0,0,1,0,0|1,0,1]=3 484 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O Amb10843963 [0,0,0,1,0,0|2,0,1]=4 485 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(O)=O Amb25168905 [0,0,0,1,0,0|2,0,1]=4 486 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(O)=O Amb25378882 [0,0,0,1,0,0|2,0,1]=4 487 B10R1.113 C[C@H](O)[C@@H]1CCCC(=O)O1 Amb25283538 [0,0,0,1,0,0|1,0,1]=3 488 B10R1.113 C[C@H]1CC(CCC1)C(O)=O Amb25824115 [0,0,0,1,0,0|2,0,1]=4 489 B10R1.113 C[C@H]1CCC[C@H](O1)C(O)=O Amb24622482 [0,0,0,1,0,0|1,0,1]=3 490 B10R1.113 C[C@H]1C[C@@H](CCC1)C(O)=O Amb24657322 [0,0,0,1,0,0|2,0,1]=4 491 B10R1.113 N=C1N[C@@H](CCN1)C(O)=O Amb25123864 [0,0,0,1,0,0|3,0,0]=4 492 B10R1.113 NC(=O)C1CC(=O)CCC1 Amb24470598 [0,0,0,1,0,0|2,0,0]=3 493 B10R1.113 NC(=O)C1CC(=O)CCN1 Amb18202632 [0,0,0,1,0,0|3,0,0]=4 494 B10R1.113 NC(=O)C1CC(=O)NCC1 Amb25147355 [0,0,0,1,0,0|3,0,0]=4 495 B10R1.113 NC(=O)C1CCCC(=O)N1 Amb24480756 [0,0,0,1,0,0|2,0,0]=3 496 B10R1.113 NC(=O)C1CCCC(O)C1 Amb25067304 [0,0,0,1,0,0|2,0,1]=4 497 B10R1.113 NC(=O)[C@@H]1CCCC(=O)N1 Amb24753146 [0,0,0,1,0,0|2,0,0]=3 498 B10R1.113 NC1=NC(CCS1)C(O)=O Amb25756997 [0,0,0,1,0,0|3,0,0]=4 499 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Amb10873166 [0,0,0,1,0,0|2,0,1]=4 500 B10R1.113 N[C@@H]1C[C@@H](CCC1)C(O)=O Amb20241307 [0,0,0,1,0,0|2,0,1]=4 501 B10R1.113 N[C@@H]1C[C@@H](CCC1)C(O)=O Amb23439976 [0,0,0,1,0,0|2,0,1]=4 502 B10R1.113 N[C@@H]1C[C@H](CCC1)C(O)=O Amb22746829 [0,0,0,1,0,0|2,0,1]=4 503 B10R1.113 N[C@@H]1C[C@H](CCC1)C(O)=O Amb23439848 [0,0,0,1,0,0|2,0,1]=4 504 B10R1.113 N[C@H]1C[C@H](CCC1)C(O)=O Amb20241308 [0,0,0,1,0,0|2,0,1]=4 505 B10R1.113 O=C1CCCC(=C1)C(=O)O Amb10789564 [0,0,0,1,0,0|1,0,1]=3 506 B10R1.113 O=C1CCCC(C1)C(=C)C Amb17593503 [0,0,0,1,0,0|3,0,0]=4 507 B10R1.113 O=C1CCCN(N1)C(=O)Cl Amb24059975 [0,0,0,1,0,0|3,0,0]=4 508 B10R1.113 O=C1CCC[C@H](N1)C(=O)O Amb10576327 [0,0,0,1,0,0|1,0,0]=2 509 B10R1.113 O=C1CCNC(C1)C(=O)O Amb13889089 [0,0,0,1,0,0|2,0,0]=3 510 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O Amb13889084 [0,0,0,1,0,0|2,0,0]=3 511 B10R1.113 OC(=O)C1=CC(=O)CCO1 Amb24606572 [0,0,0,1,0,0|2,0,1]=4 512 B10R1.113 OC(=O)C1CC(=O)C=CC1 Amb18643491 [0,0,0,1,0,0|1,0,2]=4 513 B10R1.113 OC(=O)C1CC(=O)CC=C1 Amb18643492 [0,0,0,1,0,0|1,0,2]=4 514 B10R1.113 OC(=O)C1CC(=O)CCO1 Amb22496784 [0,0,0,1,0,0|2,0,0]=3 515 B10R1.113 OC(=O)C1CC(=O)NCC1 Amb18831603 [0,0,0,1,0,0|2,0,0]=3 516 B10R1.113 OC(=O)C1CC(=O)NNC1 Amb22546429 [0,0,0,1,0,0|3,0,0]=4 517 B10R1.113 OC(=O)C1CCCC(=O)S1 Amb25774954 [0,0,0,1,0,0|0,1,0]=2 518 B10R1.113 OC(=O)C1CCCC(Br)C1 Amb24478263 [0,0,0,1,0,0|2,0,1]=4 519 B10R1.113 OC(=O)C1CCCC(Cl)C1 Amb18126349 [0,0,0,1,0,0|2,0,1]=4 520 B10R1.113 OC(=O)C1CCNC(=N1)C Amb16193456 [0,0,0,1,0,0|3,0,0]=4 521 B10R1.113 OC(=O)C1CCNC(=O)N1 Amb24659979 [0,0,0,1,0,0|2,0,0]=3 522 B10R1.113 OC(=O)C1CN(Cl)CCC1 Amb25046169 [0,0,0,1,0,0|3,0,0]=4 523 B10R1.113 OC(=O)C1CNCC(=O)N1 Amb22235985 [0,0,0,1,0,0|2,0,0]=3 524 B10R1.113 OC(=O)C1COCC(=O)N1 Amb18862478 [0,0,0,1,0,0|2,0,0]=3 525 B10R1.113 OC(=O)C=1CCCS(=O)C1 Amb24739116 [0,0,0,1,0,0|2,0,1]=4 526 B10R1.113 OC(=O)[C@@H]1C=CCC(=O)N1 Amb25758069 [0,0,0,1,0,0|1,0,2]=4 527 B10R1.113 OC(=O)[C@@H]1CC(=O)CCC1 Amb24460815 [0,0,0,1,0,0|1,0,0]=2 528 B10R1.113 OC(=O)[C@@H]1CCC[C@@H](Br)C1 Amb25366201 [0,0,0,1,0,0|2,0,1]=4 529 B10R1.113 OC(=O)[C@@H]1CCC[C@H](Cl)C1 Amb24511905 [0,0,0,1,0,0|2,0,1]=4 530 B10R1.113 OC(=O)[C@@H]1CCOC(=O)N1 Amb24745665 [0,0,0,1,0,0|2,0,0]=3 531 B10R1.113 OC(=O)[C@@H]1CNCC(=O)N1 Amb22746774 [0,0,0,1,0,0|2,0,0]=3 532 B10R1.113 OC(=O)[C@H]1CCNC(=O)N1 Amb24479098 [0,0,0,1,0,0|2,0,0]=3 533 B10R1.113 OC(=O)[C@H]1COCC(=O)N1 Amb25235172 [0,0,0,1,0,0|2,0,0]=3 534 B10R1.113 OC(O)C1CC(=O)CCC1 Amb25116161 [0,0,0,1,0,0|1,0,2]=4 535 B10R1.113 OC(O)C1CCNC(=O)O1 Amb24364539 [0,0,0,1,0,0|1,0,2]=4 536 B10R1.113 OC1CCCC(C1)C(O)=O Amb18644123 [0,0,0,1,0,0|1,0,1]=3 537 B10R1.113 OC1CCCC(O1)C(O)=O Amb24426494 [0,0,0,1,0,0|0,0,2]=3 538 B10R1.113 OC1CCC[C@H](N1)C(O)=O Amb24479127 [0,0,0,1,0,0|1,0,1]=3 539 B10R1.113 OC1CCNC(C1)C(O)=O Amb24117443 [0,0,0,1,0,0|2,0,1]=4 540 B10R1.113 OP(=O)C1CC(=O)CCC1 Amb24690607 [0,0,0,1,0,0|2,0,0]=3 541 B10R1.113 O[C@@H]1CCC[C@@H](C1)C(O)=O Amb22899465 [0,0,0,1,0,0|1,0,1]=3 542 B10R1.113 O[C@@H]1CCC[C@H](C1)C(O)=O Amb22899464 [0,0,0,1,0,0|1,0,1]=3 543 B10R1.113 O[C@@H]1CCNC(C1)C(O)=O Amb25296203 [0,0,0,1,0,0|2,0,1]=4 544 B10R1.113 O[C@@H]1CCN[C@@H](C1)C(=O)O Amb10606703 [0,0,0,1,0,0|2,0,1]=4 545 B10R1.113 O[C@@H]1CCN[C@@H](C1)C(O)=O Amb22386828 [0,0,0,1,0,0|2,0,1]=4 546 B10R1.113 O[C@@H]1CCN[C@H](C1)C(O)=O Amb22748263 [0,0,0,1,0,0|2,0,1]=4 547 B10R1.113 O[C@H]1CCC[C@@H](C1)C(O)=O Amb24546990 [0,0,0,1,0,0|1,0,1]=3 548 B10R1.113 O[C@H]1CCN[C@@H](C1)C(O)=O Amb22388540 [0,0,0,1,0,0|2,0,1]=4 549 B10R1.113 O[C@H]1CCN[C@H](C1)C(O)=O Amb20241913 [0,0,0,1,0,0|2,0,1]=4 550 B10R1.126 OC(=O)CCCCC1CC1 Amb24480443 [0,0,0,1,0,0|2,0,1]=4 551 B10R1.126 OC(=O)CCCCC1CO1 Amb25324298 [0,0,0,1,0,0|1,0,1]=3 552 B10R1.128 CC1(N)CCCC1C(O)=O Amb22338995 [0,0,0,1,0,0|2,0,1]=4 553 B10R1.128 CP1(=O)CCCC1C(O)=O Amb24476996 [0,0,0,1,0,0|2,0,0]=3 554 B10R1.128 C[C@@]1(O)CCN[C@H]1C(O)=O Amb25230927 [0,0,0,1,0,0|2,0,1]=4 555 B10R1.128 OC(=O)C1CCCC1(F)F Amb23597493 [0,0,0,1,0,0|2,0,1]=4 556 B10R1.128 OC(=O)C1CCCS1(=O)=O Amb22886525 [0,0,0,1,0,0|1,0,1]=3 557 B10R1.128 OC(=O)[C@H]1CCC[C@@]1(C)N Amb1993790 [0,0,0,1,0,0|2,0,1]=4 558 B10R1.128 OC(=O)[C@H]1CCC[C@@]1(C)N Amb1993898 [0,0,0,1,0,0|2,0,1]=4 559 B10R1.276 O=C1CCCCS(=O)(=O)C1 Amb10071768 [0,0,0,1,0,0|2,0,1]=4 560 B10R1.351 CC(=O)CC1CCC1(C)O Amb24456578 [0,0,0,1,0,0|2,0,1]=4 561 B10R1.352 CC1(C)CC1CCC(O)=O Amb25697470 [0,0,0,1,0,0|2,0,1]=4 562 B10R1.361 CC(=O)C1CCC1C(O)=O Amb25054556 [0,0,0,1,0,0|1,0,0]=2 563 B10R1.361 CC(=O)N1CCC1C(C)=O Amb25195213 [0,0,0,1,0,0|3,0,0]=4 564 B10R1.361 CC(=O)N1CCC1C(O)=O Amb24077473 [0,0,0,1,0,0|2,0,0]=3 565 B10R1.361 CC(=O)N1CC[C@H]1C(O)=O Amb25113483 [0,0,0,1,0,0|2,0,0]=3 566 B10R1.361 CC(=O)[C@@H]1CC[C@@H]1C(O)=O Amb24514837 [0,0,0,1,0,0|1,0,0]=2 567 B10R1.361 CC(=O)[C@@H]1CC[C@H]1C(N)=O Amb24391331 [0,0,0,1,0,0|2,0,0]=3 568 B10R1.361 CC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24671300 [0,0,0,1,0,0|1,0,0]=2 569 B10R1.361 CS(=O)N1CCC1C(O)=O Amb24522746 [0,0,0,1,0,0|3,0,0]=4 570 B10R1.361 NC(=N)N1CC[C@@H]1C(O)=O Amb24658430 [0,0,0,1,0,0|3,0,0]=4 571 B10R1.361 NC(=N)N1CC[C@H]1C(O)=O Amb25045273 [0,0,0,1,0,0|3,0,0]=4 572 B10R1.361 NC(=O)C1CCC1C(N)=O Amb25211720 [0,0,0,1,0,0|2,0,0]=3 573 B10R1.361 NC(=O)N1CCC1C(O)=O Amb24522708 [0,0,0,1,0,0|2,0,0]=3 574 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(N)=O Amb22231684 [0,0,0,1,0,0|2,0,0]=3 575 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24366239 [0,0,0,1,0,0|1,0,0]=2 576 B10R1.361 NC(=O)[C@H]1CC[C@@H]1C(=O)N Amb16193326 [0,0,0,1,0,0|2,0,0]=3 577 B10R1.361 NC(=O)[C@H]1CC[C@@H]1C(O)=O Amb24548230 [0,0,0,1,0,0|1,0,0]=2 578 B10R1.361 O=C(Cl)C1CCC1C(=O)Cl Amb22230444 [0,0,0,1,0,0|2,0,0]=3 579 B10R1.361 OC(=O)C1CCC1C(=O)Cl Amb24753887 [0,0,0,1,0,0|1,0,0]=2 580 B10R1.361 OC(=O)C1CCC1C(F)F Amb20669590 [0,0,0,1,0,0|2,0,1]=4 581 B10R1.361 OC(=O)C1CCC1C(O)=O Amb19373431 [0,0,0,1,0,0|0,0,0]=1 582 B10R1.361 OC(=O)C1CNC1C(O)=O Amb24088246 [0,0,0,1,0,0|1,0,0]=2 583 B10R1.361 OC(=O)C=1CCC1C(O)=O Amb24615623 [0,0,0,1,0,0|0,0,2]=3 584 B10R1.361 OC(=O)[C@@H]1CC[C@@H]1C(=O)Cl Amb25726019 [0,0,0,1,0,0|1,0,0]=2 585 B10R1.361 OC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb16230761 [0,0,0,1,0,0|0,0,0]=1 586 B10R1.361 OC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24182065 [0,0,0,1,0,0|0,0,0]=1 587 B10R1.361 OC(=O)[C@H]1CC[C@@H]1C(O)=O Amb25267014 [0,0,0,1,0,0|0,0,0]=1 588 B10R1.361 OC(=O)[C@H]1CN[C@@H]1C(O)=O Amb25225066 [0,0,0,1,0,0|1,0,0]=2 589 B10R1.361 OC(=O)[C@H]1CN[C@H]1C(O)=O Amb24657216 [0,0,0,1,0,0|1,0,0]=2 590 B10R1.368 CC(=C)C[C@H]1C[C@@H]1C(O)=O Amb25378774 [0,0,0,1,0,0|2,0,0]=3 591 B10R1.368 CC(=O)C1CC1NC(C)=O Amb18831758 [0,0,0,1,0,0|3,0,0]=4 592 B10R1.368 CC(=O)NC1CC1C(O)=O Amb18831601 [0,0,0,1,0,0|2,0,0]=3 593 B10R1.368 CC(=O)OC1CC1C(O)=O Amb24746709 [0,0,0,1,0,0|2,0,0]=3 594 B10R1.368 CC(C)=C[C@@H]1C[C@@H]1C(O)=O Amb25259811 [0,0,0,1,0,0|2,0,1]=4 595 B10R1.368 CC(C)CC1CC1C(O)=O Amb18297987 [0,0,0,1,0,0|2,0,1]=4 596 B10R1.368 CN(C)C1CC1CC(O)=O Amb24710726 [0,0,0,1,0,0|3,0,0]=4 597 B10R1.368 OC(=O)CC1CC1C(O)=O Amb25111566 [0,0,0,1,0,0|0,0,0]=1 598 B10R1.368 OC(=O)CN1CC1C(O)=O Amb24078333 [0,0,0,1,0,0|1,0,0]=2 599 B10R1.368 OC(=O)CN1C[C@H]1C(O)=O Amb24078334 [0,0,0,1,0,0|1,0,0]=2 600 B10R1.368 OC(=O)[C@@H]/1C\C1=C\C(O)=O Amb25827923 [0,0,0,1,0,0|0,0,2]=3 601 B8R0.28 C=C(Br)CNCC(O)=O Amb18303844 [0,0,0,0,1,0|3,0,0]=4 602 B8R0.28 C=C(Br)CSCC(O)=O Amb25369923 [0,0,0,0,1,0|3,0,0]=4 603 B8R0.28 C=C(F)CCCC(O)=O Amb22641515 [0,0,0,0,1,0|2,0,0]=3 604 B8R0.28 CC(=C)CCCC(C)=O Amb17739959 [0,0,0,0,1,0|3,0,0]=4 605 B8R0.28 CC(=N)NCCC(O)=O Amb25836109 [0,0,0,0,1,0|3,0,0]=4 606 B8R0.28 CC(=O)CCCB(O)O Amb24068595 [0,0,0,0,1,0|2,0,1]=4 607 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [0,0,0,0,1,0|2,0,0]=3 608 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [0,0,0,0,1,0|2,0,0]=3 609 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,1,0|1,0,0]=2 610 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,0,0,0,1,0|2,0,0]=3 611 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,0,0,0,1,0|2,0,0]=3 612 B8R0.28 CC(=O)CCC[N+]([O-])=O Amb18203187 [0,0,0,0,1,0|2,0,1]=4 613 B8R0.28 CC(=O)CCNC(=O)C Amb17102868 [0,0,0,0,1,0|3,0,0]=4 614 B8R0.28 CC(=O)CNCC(C)=O Amb22168687 [0,0,0,0,1,0|3,0,0]=4 615 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [0,0,0,0,1,0|2,0,0]=3 616 B8R0.28 CC(=O)COCC(N)=O Amb24070191 [0,0,0,0,1,0|3,0,0]=4 617 B8R0.28 CC(=O)CSCC(C)=O Amb25244895 [0,0,0,0,1,0|3,0,0]=4 618 B8R0.28 CC(=O)CSCC([O-])=O Amb20622616 [0,0,0,0,1,0|2,0,1]=4 619 B8R0.28 CC(=O)C\C=C\C(=O)O Amb16232091 [0,0,0,0,1,0|1,0,2]=4 620 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [0,0,0,0,1,0|2,0,0]=3 621 B8R0.28 CC(=O)SCCC(N)=O Amb24552735 [0,0,0,0,1,0|3,0,0]=4 622 B8R0.28 CC(=O)\C=N/CC(O)=O Amb25347610 [0,0,0,0,1,0|2,0,1]=4 623 B8R0.28 CC(=S)SCCC(O)=O Amb24480281 [0,0,0,0,1,0|2,1,0]=4 624 B8R0.28 CC(Br)=CCCC(O)=O Amb25200944 [0,0,0,0,1,0|2,0,1]=4 625 B8R0.28 CC(Br)CCCC(O)=O Amb24480052 [0,0,0,0,1,0|2,0,1]=4 626 B8R0.28 CC(CCCC(=O)O)O Amb2371277 [0,0,0,0,1,0|1,0,1]=3 627 B8R0.28 CC(CCCC(=O)[O-])O Amb17615415 [0,0,0,0,1,0|1,0,2]=4 628 B8R0.28 CC(Cl)CCCC(O)=O Amb24740888 [0,0,0,0,1,0|2,0,1]=4 629 B8R0.28 CC(N)CCCC(O)=O Amb22059416 [0,0,0,0,1,0|2,0,1]=4 630 B8R0.28 CC(O)CCCC(C)=O Amb24340114 [0,0,0,0,1,0|2,0,1]=4 631 B8R0.28 CC(O)CCCC(N)=O Amb24622764 [0,0,0,0,1,0|2,0,1]=4 632 B8R0.28 CC(O)CSCC(O)=O Amb19005278 [0,0,0,0,1,0|2,0,1]=4 633 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [0,0,0,0,1,0|2,0,0]=3 634 B8R0.28 C[C@@H](N)CCCC(O)=O Amb24435680 [0,0,0,0,1,0|2,0,1]=4 635 B8R0.28 C[C@H](O)CCCC(O)=O Amb25842809 [0,0,0,0,1,0|1,0,1]=3 636 B8R0.28 NC(=N)CCCC(O)=O Amb25757878 [0,0,0,0,1,0|2,0,0]=3 637 B8R0.28 NC(=N)CNCC(O)=O Amb25062019 [0,0,0,0,1,0|3,0,0]=4 638 B8R0.28 NC(=O)CCCC(N)=N Amb25173064 [0,0,0,0,1,0|3,0,0]=4 639 B8R0.28 NC(=O)CCCC(N)=O Amb24098550 [0,0,0,0,1,0|2,0,0]=3 640 B8R0.28 NC(=O)CCC[N+]([O-])=O Amb22432425 [0,0,0,0,1,0|2,0,1]=4 641 B8R0.28 NC(=O)CCOP(O)=O Amb24668254 [0,0,0,0,1,0|3,0,0]=4 642 B8R0.28 NC(=O)CSCC(=O)Cl Amb25288065 [0,0,0,0,1,0|3,0,0]=4 643 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,1,0|2,0,0]=3 644 B8R0.28 O=C(Cl)CNCC(=O)Cl Amb25360798 [0,0,0,0,1,0|3,0,0]=4 645 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [0,0,0,0,1,0|3,0,0]=4 646 B8R0.28 OC(=O)C#CCC(O)=O Amb25850643 [0,0,0,0,1,0|0,0,2]=3 647 B8R0.28 OC(=O)C=C=CC(=O)O Amb17593335 [0,0,0,0,1,0|0,0,3]=4 648 B8R0.28 OC(=O)CCC=C(C)C Amb10601609 [0,0,0,0,1,0|2,0,1]=4 649 B8R0.28 OC(=O)CCC=C(F)F Amb25224993 [0,0,0,0,1,0|2,0,1]=4 650 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [0,0,0,0,1,0|1,0,0]=2 651 B8R0.28 OC(=O)CCCC(Cl)Cl Amb24479944 [0,0,0,0,1,0|2,0,1]=4 652 B8R0.28 OC(=O)CCCC(F)F Amb24117996 [0,0,0,0,1,0|2,0,1]=4 653 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [0,0,0,0,1,0|0,0,0]=1 654 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [0,0,0,0,1,0|0,0,0]=1 655 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [0,0,0,0,1,0|1,0,0]=2 656 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [0,0,0,0,1,0|2,0,0]=3 657 B8R0.28 OC(=O)CCNC(S)=S Amb25765722 [0,0,0,0,1,0|1,2,0]=4 658 B8R0.28 OC(=O)CCSC(=N)N Amb1043190 [0,0,0,0,1,0|3,0,0]=4 659 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [0,0,0,0,1,0|2,0,0]=3 660 B8R0.28 OC(=O)CNC=P(O)=O Amb24558051 [0,0,0,0,1,0|2,0,1]=4 661 B8R0.28 OC(=O)CNCP(O)=O Amb24557425 [0,0,0,0,1,0|2,0,0]=3 662 B8R0.28 OC(=O)COCC(=O)Cl Amb25372456 [0,0,0,0,1,0|2,0,0]=3 663 B8R0.28 OC(=O)C\C=C\C(=O)O Amb1154189 [0,0,0,0,1,0|0,0,2]=3 664 B8R0.28 OC(=O)O[Sr]OC(O)=O Amb22353408 [0,0,0,0,1,0|3,0,0]=4 665 B8R0.28 OC(=S)COCC(O)=O Amb22262972 [0,0,0,0,1,0|1,1,0]=3 666 B8R0.28 OC(O)CCCC(O)=O Amb25205498 [0,0,0,0,1,0|0,0,2]=3 667 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [0,0,0,0,1,0|0,0,0]=1 668 B8R0.28 [O-]C(=O)CCCC([O-])=O Amb22729768 [0,0,0,0,1,0|0,0,2]=3 669 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb20246814 [0,0,0,0,1,0|1,0,2]=4 670 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb22351624 [0,0,0,0,1,0|1,0,2]=4 671 B8R0.28 [O-][N+](=O)CCCC(O)=O Amb24711043 [0,0,0,0,1,0|1,0,1]=3 672 B8R0.28 [O-][N+](=O)OCCC(O)=O Amb21953424 [0,0,0,0,1,0|2,0,1]=4 673 B10R0.97 C=C(F)CCCCCC(O)=O Amb22641493 [0,0,0,0,0,1|2,0,0]=3 674 B10R0.97 CC(=O)CCC#CCC(O)=O Amb24426191 [0,0,0,0,0,1|1,0,1]=3 675 B10R0.97 CC(=O)CCCC#CC(C)=O Amb25767102 [0,0,0,0,0,1|2,0,1]=4 676 B10R0.97 CC(=O)NCCCCC(O)=O Amb22330473 [0,0,0,0,0,1|1,0,0]=2 677 B10R0.97 CC(=O)NCCCNC(C)=O Amb17918643 [0,0,0,0,0,1|3,0,0]=4 678 B10R0.97 CC(=O)NCCOCC(O)=O Amb24271178 [0,0,0,0,0,1|2,0,0]=3 679 B10R0.97 CC(CCCCCC(=O)O)C Amb16232096 [0,0,0,0,0,1|2,0,1]=4 680 B10R0.97 CC(CCNCCC(=O)O)C Amb1110986 [0,0,0,0,0,1|2,0,1]=4 681 B10R0.97 CC(O)CC#CCCC(O)=O Amb25775039 [0,0,0,0,0,1|1,0,2]=4 682 B10R0.97 CC(O)CCCCCC(O)=O Amb24117232 [0,0,0,0,0,1|1,0,1]=3 683 B10R0.97 CN(C)CCCOCC(O)=O Amb24069053 [0,0,0,0,0,1|3,0,0]=4 684 B10R0.97 ClC(=O)CCCCCC(=O)Cl Amb13777316 [0,0,0,0,0,1|2,0,0]=3 685 B10R0.97 NC(=N)NCCCCC(O)=O Amb23523074 [0,0,0,0,0,1|2,0,0]=3 686 B10R0.97 NC(=N)SCCCCC(O)=O Amb19787005 [0,0,0,0,0,1|2,0,0]=3 687 B10R0.97 NC(=O)CCN\C=C\C(O)=O Amb25381541 [0,0,0,0,0,1|1,0,2]=4 688 B10R0.97 OC(=O)CCCCNC(=O)N Amb1154252 [0,0,0,0,0,1|1,0,0]=2 689 B10R0.97 OC(=O)CCCCSC(=N)N Amb1289596 [0,0,0,0,0,1|2,0,0]=3 690 B10R0.97 OC(=O)CCCCSC(=[NH2+])N Amb1156024 [0,0,0,0,0,1|2,0,0]=3 691 B10R0.97 OC(=O)CCCSCC(=O)O Amb17501146 [0,0,0,0,0,1|0,0,0]=1 692 B10R0.97 OC(=O)CCOCCC(O)=O Amb24057717 [0,0,0,0,0,1|0,0,0]=1 693 B10R0.97 OC(=O)CSCSCC(=O)O Amb1144944 [0,0,0,0,0,1|1,0,0]=2 694 B10R0.97 [O-][N+](=O)CCCCCC(O)=O Amb22347935 [0,0,0,0,0,1|1,0,1]=3 695 B7R0.1 C#CCCCCC=O Amb25743704 [2,0,0,0,0,0|1,0,1]=4 696 B7R0.1 C=CCCCNC=O Amb25228418 [2,0,0,0,0,0|2,0,0]=4 697 B7R0.1 C=CCSCCC=O Amb18642815 [2,0,0,0,0,0|2,0,0]=4 698 B7R0.1 CSCCCCC=O Amb25760866 [2,0,0,0,0,0|2,0,0]=4 699 B7R0.1 C\C=C/CCCC=O Amb24483048 [2,0,0,0,0,0|1,0,1]=4 700 B7R0.1 C\C=C\CCCC=O Amb18641700 [2,0,0,0,0,0|1,0,1]=4 701 B7R0.1 ClCCCCCC=O Amb16185781 [2,0,0,0,0,0|1,0,1]=4 702 B7R0.1 NCCCCCC=O Amb25680164 [2,0,0,0,0,0|1,0,1]=4 703 B7R0.1 O=CCCCCC#N Amb17593149 [2,0,0,0,0,0|1,0,1]=4 704 B7R0.1 O=CCCCCC=O Amb17593185 [2,0,0,0,0,0|0,0,0]=2 705 B7R0.1 O=CCCCCCBr Amb18127461 [2,0,0,0,0,0|1,0,1]=4 706 B7R0.1 O=CCCCCCF Amb24533888 [2,0,0,0,0,0|1,0,1]=4 707 B7R0.1 O=CCCCNC=O Amb25247142 [2,0,0,0,0,0|1,0,0]=3 708 B7R0.1 O=CCC\C=C/C=O Amb24453308 [2,0,0,0,0,0|0,0,2]=4 709 B7R0.1 O=CCC\C=C\C=O Amb18124241 [2,0,0,0,0,0|0,0,2]=4 710 B7R0.1 O=CNCCNC=O Amb1043861 [2,0,0,0,0,0|2,0,0]=4 711 B7R0.1 O=COCOCC=O Amb24736176 [2,0,0,0,0,0|2,0,0]=4 712 B7R0.1 OCCCCCC=O Amb18641885 [2,0,0,0,0,0|0,0,1]=3 713 B7R0.1 OCCCCCCO Amb22336515 [2,0,0,0,0,0|0,0,2]=4 714 B7R0.1 OCCCCCCO Amb22338595 [2,0,0,0,0,0|0,0,2]=4 715 B7R0.1 OCCCCCCO Amb22338770 [2,0,0,0,0,0|0,0,2]=4 716 B7R0.1 OCCCCOC=O Amb25244169 [2,0,0,0,0,0|1,0,1]=4 717 B7R0.1 OCCOCCC=O Amb18641946 [2,0,0,0,0,0|1,0,1]=4 718 B7R0.1 OCCSCCC=O Amb25077144 [2,0,0,0,0,0|1,0,1]=4 719 B7R0.1 ON=CCCCC=O Amb25303136 [2,0,0,0,0,0|1,0,1]=4 720 B7R0.1 O\N=C\CCCC=O Amb24663073 [2,0,0,0,0,0|1,0,1]=4 721 B7R0.1 [C-]#[N+]CCCCC=O Amb25713544 [2,0,0,0,0,0|2,0,0]=4 722 B7R0.4 BrCCCCC(=O)C Amb16234126 [2,0,0,0,0,0|2,0,0]=4 723 B7R0.4 C=C(Br)CCCC=O Amb24390485 [2,0,0,0,0,0|2,0,0]=4 724 B7R0.4 C=C(Br)CCCCO Amb25381428 [2,0,0,0,0,0|2,0,0]=4 725 B7R0.4 C=C(Cl)CCCCO Amb25064782 [2,0,0,0,0,0|2,0,0]=4 726 B7R0.4 C=C(F)CCCCO Amb22641473 [2,0,0,0,0,0|2,0,0]=4 727 B7R0.4 C=CCCCC(=O)C Amb17593171 [2,0,0,0,0,0|1,0,1]=4 728 B7R0.4 C=CCCCC(N)=O Amb24579642 [2,0,0,0,0,0|1,0,1]=4 729 B7R0.4 C=CCSCC(=O)O Amb1110888 [2,0,0,0,0,0|1,0,1]=4 730 B7R0.4 CC(=C)CCCC=O Amb18641705 [2,0,0,0,0,0|2,0,0]=4 731 B7R0.4 CC(=O)CCCC=O Amb18641775 [2,0,0,0,0,0|1,0,0]=3 732 B7R0.4 CC(=O)CCNC=O Amb25075578 [2,0,0,0,0,0|2,0,0]=4 733 B7R0.4 CC(=O)CCOC=O Amb24408302 [2,0,0,0,0,0|2,0,0]=4 734 B7R0.4 CC(=O)CNCCO Amb18108527 [2,0,0,0,0,0|2,0,0]=4 735 B7R0.4 CC(=O)COCC=O Amb18641868 [2,0,0,0,0,0|2,0,0]=4 736 B7R0.4 CC(=O)OCCC=O Amb18641862 [2,0,0,0,0,0|2,0,0]=4 737 B7R0.4 CC(=O)OCCCO Amb25854267 [2,0,0,0,0,0|2,0,0]=4 738 B7R0.4 CC(=O)SCCC=O Amb25101351 [2,0,0,0,0,0|2,0,0]=4 739 B7R0.4 CC(O)CCCC=O Amb18641887 [2,0,0,0,0,0|1,0,1]=4 740 B7R0.4 CC(O)CCCCO Amb22227757 [2,0,0,0,0,0|1,0,1]=4 741 B7R0.4 CCCCCC([O-])=O Amb22337624 [2,0,0,0,0,0|0,0,2]=4 742 B7R0.4 CCCCCC([O-])=O Amb22525161 [2,0,0,0,0,0|0,0,2]=4 743 B7R0.4 CCCCCC([O-])=O Amb22730527 [2,0,0,0,0,0|0,0,2]=4 744 B7R0.4 CCCCCC([O-])=O Amb22731343 [2,0,0,0,0,0|0,0,2]=4 745 B7R0.4 CCCCC[13C](O)=O Amb22353417 [2,0,0,0,0,0|0,0,1]=3 746 B7R0.4 CCCC[13CH2][13C](O)=O Amb22367381 [2,0,0,0,0,0|0,0,1]=3 747 B7R0.4 CCCNCC(=O)O Amb10609640 [2,0,0,0,0,0|1,0,1]=4 748 B7R0.4 CCCNCC(=O)O Amb1110628 [2,0,0,0,0,0|1,0,1]=4 749 B7R0.4 CCCSCC(=O)O Amb1137113 [2,0,0,0,0,0|1,0,1]=4 750 B7R0.4 CNCCCC(=O)O Amb1153115 [2,0,0,0,0,0|1,0,1]=4 751 B7R0.4 CSCCCC(=O)O Amb17503622 [2,0,0,0,0,0|1,0,1]=4 752 B7R0.4 C[C@@H](O)CCCC=O Amb22896885 [2,0,0,0,0,0|1,0,1]=4 753 B7R0.4 C[Se]CCCC(O)=O Amb22347334 [2,0,0,0,0,0|1,0,1]=4 754 B7R0.4 C\C=C\CCC(=O)O Amb10071500 [2,0,0,0,0,0|1,0,1]=4 755 B7R0.4 N#CCCCC(O)=O Amb18560874 [2,0,0,0,0,0|1,0,1]=4 756 B7R0.4 NC(=O)CCCCI Amb25788033 [2,0,0,0,0,0|2,0,0]=4 757 B7R0.4 NC(=O)CCNC=O Amb24630476 [2,0,0,0,0,0|2,0,0]=4 758 B7R0.4 NC(=O)CSCC=O Amb25806671 [2,0,0,0,0,0|2,0,0]=4 759 B7R0.4 NCCCCC(N)=O Amb18641897 [2,0,0,0,0,0|2,0,0]=4 760 B7R0.4 NCCCCC([O-])=O Amb22753853 [2,0,0,0,0,0|1,0,1]=4 761 B7R0.4 NCCCCP(O)=O Amb24520720 [2,0,0,0,0,0|2,0,0]=4 762 B7R0.4 NCCCNC(O)=O Amb24093884 [2,0,0,0,0,0|2,0,0]=4 763 B7R0.4 NCCNCC(=O)O Amb17608063 [2,0,0,0,0,0|2,0,0]=4 764 B7R0.4 NCCNCC(O)=O Amb19958818 [2,0,0,0,0,0|2,0,0]=4 765 B7R0.4 NCCOCC(O)=O Amb18630146 [2,0,0,0,0,0|2,0,0]=4 766 B7R0.4 NCCOCC(O)=O Amb22751540 [2,0,0,0,0,0|2,0,0]=4 767 B7R0.4 NCCSCC(=O)O Amb17500446 [2,0,0,0,0,0|2,0,0]=4 768 B7R0.4 NCCSCC(O)=O Amb20622325 [2,0,0,0,0,0|2,0,0]=4 769 B7R0.4 NNCCCC(O)=O Amb24455803 [2,0,0,0,0,0|2,0,0]=4 770 B7R0.4 NOCCCC(=O)O Amb10975956 [2,0,0,0,0,0|2,0,0]=4 771 B7R0.4 NOCCCC(O)=O Amb22011795 [2,0,0,0,0,0|2,0,0]=4 772 B7R0.4 O=C(F)CCCCCl Amb24472276 [2,0,0,0,0,0|2,0,0]=4 773 B7R0.4 O=CCCCC(=O)O Amb17593198 [2,0,0,0,0,0|0,0,0]=2 774 B7R0.4 O=CCCNC(=O)C Amb17102165 [2,0,0,0,0,0|2,0,0]=4 775 B7R0.4 OC(=O)CCC=C=C Amb10605299 [2,0,0,0,0,0|0,0,2]=4 776 B7R0.4 OC(=O)CCNC=O Amb18290434 [2,0,0,0,0,0|1,0,0]=3 777 B7R0.4 OC(=O)CC\C=C\Br Amb25238247 [2,0,0,0,0,0|1,0,1]=4 778 B7R0.4 OC(=O)CC\C=C\Cl Amb25803087 [2,0,0,0,0,0|1,0,1]=4 779 B7R0.4 OC(=O)CNCCS Amb18124468 [2,0,0,0,0,0|1,1,0]=4 780 B7R0.4 OC(=O)COCCBr Amb24057760 [2,0,0,0,0,0|2,0,0]=4 781 B7R0.4 OC(=O)COCCCl Amb21857870 [2,0,0,0,0,0|2,0,0]=4 782 B7R0.4 OC(=O)CSCC=O Amb24628311 [2,0,0,0,0,0|1,0,0]=3 783 B7R0.4 OC(=O)CSCCCl Amb18644703 [2,0,0,0,0,0|2,0,0]=4 784 B7R0.4 OC(=O)CSCCS Amb24711400 [2,0,0,0,0,0|1,1,0]=4 785 B7R0.4 OC(=O)C\C=C\C=O Amb24437944 [2,0,0,0,0,0|0,0,2]=4 786 B7R0.4 OCC#CCC(O)=O Amb24395623 [2,0,0,0,0,0|0,0,2]=4 787 B7R0.4 OCCC#CC(O)=O Amb25844914 [2,0,0,0,0,0|0,0,2]=4 788 B7R0.4 OCCCCB(O)O Amb25351122 [2,0,0,0,0,0|1,0,1]=4 789 B7R0.4 OCCCCC(=O)C Amb10603864 [2,0,0,0,0,0|1,0,0]=3 790 B7R0.4 OCCCCC(=O)[O-] Amb13952763 [2,0,0,0,0,0|0,0,1]=3 791 B7R0.4 OCCCCC(O)=O Amb22351244 [2,0,0,0,0,0|0,0,0]=2 792 B7R0.4 OCCCCC(O)O Amb25204642 [2,0,0,0,0,0|0,0,2]=4 793 B7R0.4 OCCCC[C@H](O)C Amb10605245 [2,0,0,0,0,0|1,0,1]=4 794 B7R0.4 OCCSCC(=O)O Amb1110090 [2,0,0,0,0,0|1,0,0]=3 795 B7R0.4 OCC\C=C\C(O)=O Amb21929352 [2,0,0,0,0,0|0,0,2]=4 796 B7R0.4 SCCCCC(=O)O Amb17503767 [2,0,0,0,0,0|0,1,0]=3 797 B7R0.4 [O-]C(=O)CCCCO Amb22749314 [2,0,0,0,0,0|0,0,1]=3 798 B7R0.4 [O-][N+](=O)CCCCO Amb25739830 [2,0,0,0,0,0|1,0,1]=4 799 B9R0.1 C#CC(F)CCCC(O)=O Amb25340465 [1,1,0,0,0,0|1,0,1]=4 800 B9R0.1 C#C[C@H](F)CCCC(O)=O Amb25113496 [1,1,0,0,0,0|1,0,1]=4 801 B9R0.1 C=CC(O)CCCC(O)=O Amb25137244 [1,1,0,0,0,0|1,0,0]=3 802 B9R0.1 C=CC(O)CSCC(O)=O Amb25092349 [1,1,0,0,0,0|2,0,0]=4 803 B9R0.1 C=C[C@@H](O)CCCC(O)=O Amb24352126 [1,1,0,0,0,0|1,0,0]=3 804 B9R0.1 C=C[C@H](O)CSCC(O)=O Amb24482220 [1,1,0,0,0,0|2,0,0]=4 805 B9R0.1 CC(=O)CCCC(Cl)C=O Amb24653770 [1,1,0,0,0,0|1,0,0]=3 806 B9R0.1 CC(=O)CCCN(C)C=O Amb24631603 [1,1,0,0,0,0|2,0,0]=4 807 B9R0.1 CC(=O)CCC[C@H](Cl)C=O Amb25101587 [1,1,0,0,0,0|1,0,0]=3 808 B9R0.1 CC(=O)OCCC(Br)C=O Amb25293178 [1,1,0,0,0,0|2,0,0]=4 809 B9R0.1 CC(C=C)NCCC(O)=O Amb24662882 [1,1,0,0,0,0|2,0,0]=4 810 B9R0.1 CC(C=C)SCCC(O)=O Amb18182545 [1,1,0,0,0,0|2,0,0]=4 811 B9R0.1 CC(CCCC(C)=C)C=O Amb25712471 [1,1,0,0,0,0|2,0,0]=4 812 B9R0.1 CC(CCCC(C)=O)C=O Amb24453385 [1,1,0,0,0,0|1,0,0]=3 813 B9R0.1 CC(CCCC(O)=O)C#N Amb18643710 [1,1,0,0,0,0|1,0,1]=4 814 B9R0.1 CC(CCCC(O)=O)C=C Amb24716210 [1,1,0,0,0,0|1,0,0]=3 815 B9R0.1 CC(CCCC(O)=O)CO Amb25068017 [1,1,0,0,0,0|0,0,1]=3 816 B9R0.1 CC(CCl)CCCC(O)=O Amb18646189 [1,1,0,0,0,0|1,0,1]=4 817 B9R0.1 CC(CO)NCCC(O)=O Amb17719769 [1,1,0,0,0,0|1,0,1]=4 818 B9R0.1 CCC(C)CCCC(O)=O Amb18124682 [1,1,0,0,0,0|1,0,1]=4 819 B9R0.1 CCC(O)CCCC(O)=O Amb18644263 [1,1,0,0,0,0|1,0,1]=4 820 B9R0.1 CN(CCCC(O)=O)C=O Amb19010086 [1,1,0,0,0,0|1,0,0]=3 821 B9R0.1 COC(C)CCCC(O)=O Amb25728362 [1,1,0,0,0,0|2,0,0]=4 822 B9R0.1 CSC(C)CCCC(O)=O Amb25265803 [1,1,0,0,0,0|2,0,0]=4 823 B9R0.1 C[C@@H](CCCC(C)=O)C=C Amb24379305 [1,1,0,0,0,0|2,0,0]=4 824 B9R0.1 C[C@@H](CCCC(O)=O)C=C Amb24447465 [1,1,0,0,0,0|1,0,0]=3 825 B9R0.1 C[C@H](CCCC(C)=O)C=O Amb25119261 [1,1,0,0,0,0|1,0,0]=3 826 B9R0.1 C[C@H](CCCC(O)=O)C=C Amb25367325 [1,1,0,0,0,0|1,0,0]=3 827 B9R0.1 C[C@H](CO)CCCC(C)=O Amb25335279 [1,1,0,0,0,0|1,0,1]=4 828 B9R0.1 C\C(\CCCC(O)=O)=C\C Amb25063828 [1,1,0,0,0,0|1,0,1]=4 829 B9R0.1 NC(CCCC(O)=O)=NO Amb24383149 [1,1,0,0,0,0|1,0,1]=4 830 B9R0.1 NC(CCCC(O)=O)C=O Amb25075707 [1,1,0,0,0,0|0,0,0]=2 831 B9R0.1 NC(CS)CCCC(O)=O Amb25706315 [1,1,0,0,0,0|0,1,1]=4 832 B9R0.1 NCC(N)CCCC(O)=O Amb24375177 [1,1,0,0,0,0|1,0,1]=4 833 B9R0.1 NC[C@@H](N)CCCC(O)=O Amb25147297 [1,1,0,0,0,0|1,0,1]=4 834 B9R0.1 N[C@@H](CS)CCCC(O)=O Amb25288626 [1,1,0,0,0,0|0,1,1]=4 835 B9R0.1 N[C@H](CS)CCCC(O)=O Amb24482180 [1,1,0,0,0,0|0,1,1]=4 836 B9R0.1 O=NN(CCCC(=O)O)C Amb17618588 [1,1,0,0,0,0|2,0,0]=4 837 B9R0.1 OC(=O)CCCC(Cl)CCl Amb18649051 [1,1,0,0,0,0|1,0,1]=4 838 B9R0.1 OC(=O)CCCN(O)C=O Amb25320259 [1,1,0,0,0,0|1,0,0]=3 839 B9R0.1 OC(=O)CNCC(S)C=O Amb24482295 [1,1,0,0,0,0|1,0,0]=3 840 B9R0.1 OCC(O)CNCC(O)=O Amb24360971 [1,1,0,0,0,0|1,0,1]=4 841 B9R0.1 OCC(O)COCC(O)=O Amb24534716 [1,1,0,0,0,0|1,0,1]=4 842 B9R0.2 BrCCCCCCC(=O)O Amb10071514 [1,1,0,0,0,0|1,0,1]=4 843 B9R0.2 C#CCCCCCC(O)=O Amb22232010 [1,1,0,0,0,0|1,0,1]=4 844 B9R0.2 C#CCCCNCC(O)=O Amb25284826 [1,1,0,0,0,0|1,0,1]=4 845 B9R0.2 C#CCSCCCC(=O)O Amb17503626 [1,1,0,0,0,0|1,0,1]=4 846 B9R0.2 C=CCCCC#CC(O)=O Amb25770578 [1,1,0,0,0,0|1,0,1]=4 847 B9R0.2 C=CCCCCCC(N)=O Amb25113258 [1,1,0,0,0,0|2,0,0]=4 848 B9R0.2 C=CCCCCNC(N)=O Amb25309766 [1,1,0,0,0,0|2,0,0]=4 849 B9R0.2 C=CCCCCOC(=O)C Amb10842183 [1,1,0,0,0,0|2,0,0]=4 850 B9R0.2 C=CCCCOCC(N)=O Amb25825853 [1,1,0,0,0,0|2,0,0]=4 851 B9R0.2 C=CCCNCCC(N)=O Amb25672230 [1,1,0,0,0,0|2,0,0]=4 852 B9R0.2 C=CCC\C=C\CC(O)=O Amb18643551 [1,1,0,0,0,0|1,0,1]=4 853 B9R0.2 C=CCNCCCC(N)=O Amb25224261 [1,1,0,0,0,0|2,0,0]=4 854 B9R0.2 C=CC\C=C\CCC(O)=O Amb18643540 [1,1,0,0,0,0|1,0,1]=4 855 B9R0.2 C=C\C=C\CCCC(O)=O Amb25085778 [1,1,0,0,0,0|1,0,1]=4 856 B9R0.2 C=NCCCCCC(O)=O Amb25111950 [1,1,0,0,0,0|1,0,1]=4 857 B9R0.2 CC(=C)CCOCCC=O Amb24354701 [1,1,0,0,0,0|2,0,0]=4 858 B9R0.2 CC(=O)CCCC#CC=O Amb24480487 [1,1,0,0,0,0|1,0,1]=4 859 B9R0.2 CC(=O)CCCCC=C=C Amb25296928 [1,1,0,0,0,0|2,0,0]=4 860 B9R0.2 CC(=O)CCCCCC=C Amb24117120 [1,1,0,0,0,0|2,0,0]=4 861 B9R0.2 CC(=O)CCCCCC=O Amb25290329 [1,1,0,0,0,0|1,0,0]=3 862 B9R0.2 CC(=O)CCCCCCO Amb25728037 [1,1,0,0,0,0|1,0,1]=4 863 B9R0.2 CC(=O)CCCC\C=C\Cl Amb24380821 [1,1,0,0,0,0|2,0,0]=4 864 B9R0.2 CC(=O)CCCOCCO Amb25265612 [1,1,0,0,0,0|1,0,1]=4 865 B9R0.2 CC(=O)CCC\C=C/CO Amb25146607 [1,1,0,0,0,0|1,0,1]=4 866 B9R0.2 CC(=O)CCC\C=C\C=O Amb18124580 [1,1,0,0,0,0|1,0,1]=4 867 B9R0.2 CC(=O)CCC\C=C\CO Amb25297110 [1,1,0,0,0,0|1,0,1]=4 868 B9R0.2 CC(=O)CCNCCCO Amb24704454 [1,1,0,0,0,0|1,0,1]=4 869 B9R0.2 CC(=O)CCOCCCO Amb25094277 [1,1,0,0,0,0|1,0,1]=4 870 B9R0.2 CC(=O)CNCCCC=O Amb24664343 [1,1,0,0,0,0|1,0,0]=3 871 B9R0.2 CC(=O)CSCCCC=C Amb25256553 [1,1,0,0,0,0|2,0,0]=4 872 B9R0.2 CC(=O)CSCCCCO Amb24504843 [1,1,0,0,0,0|1,0,1]=4 873 B9R0.2 CC(=O)NCCCCC=O Amb24524516 [1,1,0,0,0,0|1,0,0]=3 874 B9R0.2 CC(=O)NCCCOC=O Amb25340400 [1,1,0,0,0,0|2,0,0]=4 875 B9R0.2 CC(=O)\C=C\CCCC=O Amb24476998 [1,1,0,0,0,0|1,0,1]=4 876 B9R0.2 CC(C)=CCCCCC=O Amb18643636 [1,1,0,0,0,0|2,0,0]=4 877 B9R0.2 CC(O)CCCCCC=O Amb24611207 [1,1,0,0,0,0|1,0,1]=4 878 B9R0.2 CCCCCCCC(O)=O Amb22352272 [1,1,0,0,0,0|1,0,1]=4 879 B9R0.2 CCCCCCCC(O)=O Amb22353407 [1,1,0,0,0,0|1,0,1]=4 880 B9R0.2 CCCCCCC[13C](O)=O Amb20243497 [1,1,0,0,0,0|1,0,1]=4 881 B9R0.2 CCCCCC[13CH2]C(O)=O Amb22367410 [1,1,0,0,0,0|1,0,1]=4 882 B9R0.2 CCCCCC[13CH2][13C](O)=O Amb22367490 [1,1,0,0,0,0|1,0,1]=4 883 B9R0.2 CCCCSCCC(=O)O Amb1032992 [1,1,0,0,0,0|1,0,1]=4 884 B9R0.2 CCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22351826 [1,1,0,0,0,0|1,0,1]=4 885 B9R0.2 CCCNCCCC(=O)O Amb1109953 [1,1,0,0,0,0|1,0,1]=4 886 B9R0.2 CCNCCCCC(O)=O Amb24385094 [1,1,0,0,0,0|1,0,1]=4 887 B9R0.2 CC\C=C\CCCC(O)=O Amb18643886 [1,1,0,0,0,0|1,0,1]=4 888 B9R0.2 CNCCCCCC(O)=O Amb25704769 [1,1,0,0,0,0|1,0,1]=4 889 B9R0.2 CNCCCNCC(O)=O Amb25292252 [1,1,0,0,0,0|2,0,0]=4 890 B9R0.2 CNCCOCCC(O)=O Amb18111840 [1,1,0,0,0,0|2,0,0]=4 891 B9R0.2 COCCCCCC(=O)O Amb10607872 [1,1,0,0,0,0|0,0,1]=3 892 B9R0.2 COCCCOCC(O)=O Amb25304314 [1,1,0,0,0,0|1,0,1]=4 893 B9R0.2 COCCCSCC(O)=O Amb18798347 [1,1,0,0,0,0|1,0,1]=4 894 B9R0.2 CONCCCCC(N)=O Amb24414497 [1,1,0,0,0,0|2,0,0]=4 895 B9R0.2 CONCCCCC(O)=O Amb25694999 [1,1,0,0,0,0|1,0,0]=3 896 B9R0.2 CO\C=C\CCCC(O)=O Amb25083414 [1,1,0,0,0,0|0,0,1]=3 897 B9R0.2 CS(=O)CCCC\C=N\O Amb22055821 [1,1,0,0,0,0|2,0,0]=4 898 B9R0.2 CSCCNCCC(O)=O Amb25055507 [1,1,0,0,0,0|2,0,0]=4 899 B9R0.2 CSCCOCCC(O)=O Amb25173504 [1,1,0,0,0,0|2,0,0]=4 900 B9R0.2 CSCCSCCC(O)=O Amb25798868 [1,1,0,0,0,0|2,0,0]=4 901 B9R0.2 CSSCCCCC(O)=O Amb24429106 [1,1,0,0,0,0|1,1,0]=4 902 B9R0.2 CS\C=C\CCCC(O)=O Amb25848561 [1,1,0,0,0,0|0,1,1]=4 903 B9R0.2 C[13CH2]CCCCCC(O)=O Amb22367488 [1,1,0,0,0,0|1,0,1]=4 904 B9R0.2 C\C=C/CCCCC(C)=O Amb25129045 [1,1,0,0,0,0|2,0,0]=4 905 B9R0.2 C\C=C/COCCC(O)=O Amb24377336 [1,1,0,0,0,0|1,0,1]=4 906 B9R0.2 C\C=C\CCCCC(C)=O Amb25252247 [1,1,0,0,0,0|2,0,0]=4 907 B9R0.2 C\C=C\CCCCC(O)=O Amb18643887 [1,1,0,0,0,0|1,0,0]=3 908 B9R0.2 C\C=C\COCCC(O)=O Amb24478110 [1,1,0,0,0,0|1,0,1]=4 909 B9R0.2 ClCCCCCCC(=O)O Amb17594087 [1,1,0,0,0,0|1,0,1]=4 910 B9R0.2 N#CCCCCCC(O)=O Amb18643705 [1,1,0,0,0,0|1,0,1]=4 911 B9R0.2 N#CCCCSCC(=O)O Amb1109771 [1,1,0,0,0,0|1,0,1]=4 912 B9R0.2 N#CCCNCCC(=O)O Amb17315318 [1,1,0,0,0,0|1,0,1]=4 913 B9R0.2 N#CCCOCCC(O)=O Amb24409319 [1,1,0,0,0,0|1,0,1]=4 914 B9R0.2 N#CCCSCCC(O)=O Amb18927741 [1,1,0,0,0,0|1,0,1]=4 915 B9R0.2 N#CCSCCCC(=O)O Amb17501766 [1,1,0,0,0,0|1,0,1]=4 916 B9R0.2 N#C\C=C\CCCC(O)=O Amb25343311 [1,1,0,0,0,0|1,0,1]=4 917 B9R0.2 NC(=O)CCCCC=NO Amb24624690 [1,1,0,0,0,0|1,0,0]=3 918 B9R0.2 NC(=O)CCCC\C=C\Br Amb24760295 [1,1,0,0,0,0|2,0,0]=4 919 B9R0.2 NC(=O)CCCC\C=C\Cl Amb24523165 [1,1,0,0,0,0|2,0,0]=4 920 B9R0.2 NC(=O)CCCNCCO Amb24432464 [1,1,0,0,0,0|1,0,1]=4 921 B9R0.2 NC(=O)CCNCCCO Amb19959936 [1,1,0,0,0,0|1,0,1]=4 922 B9R0.2 NC(=O)CNCCCCO Amb25140635 [1,1,0,0,0,0|1,0,1]=4 923 B9R0.2 NC(=O)COCCNC=O Amb25192208 [1,1,0,0,0,0|2,0,0]=4 924 B9R0.2 NC(=O)NCCCCN=O Amb22231336 [1,1,0,0,0,0|2,0,0]=4 925 B9R0.2 NC(=S)CCCCNC=O Amb25280595 [1,1,0,0,0,0|1,1,0]=4 926 B9R0.2 NCCCCCCC(=O)O Amb1151254 [1,1,0,0,0,0|1,0,1]=4 927 B9R0.2 NCCCCCCC(=O)O Amb16232099 [1,1,0,0,0,0|1,0,1]=4 928 B9R0.2 NCCCCSCC(=O)O Amb17500919 [1,1,0,0,0,0|1,0,1]=4 929 B9R0.2 NCCCOCCC(O)=O Amb18111494 [1,1,0,0,0,0|1,0,1]=4 930 B9R0.2 NCCCSCCC(O)=O Amb24496605 [1,1,0,0,0,0|1,0,1]=4 931 B9R0.2 NCCOCCCC(O)=O Amb18111467 [1,1,0,0,0,0|1,0,1]=4 932 B9R0.2 NCCSCCCC(=O)O Amb17500468 [1,1,0,0,0,0|1,0,1]=4 933 B9R0.2 NOCCCCCC(=O)O Amb10975958 [1,1,0,0,0,0|0,0,1]=3 934 B9R0.2 O=C=NCCCCC(=O)Cl Amb25695423 [1,1,0,0,0,0|1,0,1]=4 935 B9R0.2 OC(=O)CCCCC#CBr Amb25758884 [1,1,0,0,0,0|1,0,1]=4 936 B9R0.2 OC(=O)CCCCCCF Amb25132501 [1,1,0,0,0,0|1,0,1]=4 937 B9R0.2 OC(=O)CCCCCCS Amb24710334 [1,1,0,0,0,0|0,1,1]=4 938 B9R0.2 OC(=O)CCCCN=C=O Amb24505309 [1,1,0,0,0,0|0,0,1]=3 939 B9R0.2 OC(=O)CCCCN=C=S Amb25685363 [1,1,0,0,0,0|0,1,1]=4 940 B9R0.2 OC(=O)CCCNCCF Amb25312142 [1,1,0,0,0,0|1,0,1]=4 941 B9R0.2 OC(=O)CCOCCCBr Amb25207601 [1,1,0,0,0,0|1,0,1]=4 942 B9R0.2 OC(=O)CCOCCCF Amb25794478 [1,1,0,0,0,0|1,0,1]=4 943 B9R0.2 OC(=O)CNCCCCCl Amb24505281 [1,1,0,0,0,0|1,0,1]=4 944 B9R0.2 OC(=O)CNCCCCF Amb24588093 [1,1,0,0,0,0|1,0,1]=4 945 B9R0.2 OC(=O)C\C=C/CCC=O Amb24480684 [1,1,0,0,0,0|0,0,1]=3 946 B9R0.2 OC(=O)C\C=C\CCC=O Amb18643818 [1,1,0,0,0,0|0,0,1]=3 947 B9R0.2 OC(=O)\C=C\CCCC=O Amb25253849 [1,1,0,0,0,0|0,0,1]=3 948 B9R0.2 OCCC#CCCC(O)=O Amb25716100 [1,1,0,0,0,0|0,0,2]=4 949 B9R0.2 OCCCCCNC(=O)C Amb15769972 [1,1,0,0,0,0|1,0,1]=4 950 B9R0.2 OCCCCSCC(O)=O Amb18798269 [1,1,0,0,0,0|0,0,1]=3 951 B9R0.2 OCCCC\C=C\C(O)=O Amb18644146 [1,1,0,0,0,0|0,0,2]=4 952 B9R0.2 OCCCOCCC(O)=O Amb24476864 [1,1,0,0,0,0|0,0,1]=3 953 B9R0.2 OCCCSSCC(O)=O Amb25053922 [1,1,0,0,0,0|1,0,1]=4 954 B9R0.2 OCCSSCCC(=O)O Amb17615366 [1,1,0,0,0,0|1,0,1]=4 955 B9R0.2 OC\C=C\CCCC(O)=O Amb24568323 [1,1,0,0,0,0|0,0,1]=3 956 B9R0.2 ON=CCCCCC(O)=O Amb24480769 [1,1,0,0,0,0|0,0,0]=2 957 B9R0.2 ONCCCCCC(O)=O Amb25354224 [1,1,0,0,0,0|0,0,1]=3 958 B9R0.2 [13CH3]CCCCCCC(O)=O Amb22367137 [1,1,0,0,0,0|1,0,1]=4 959 B9R0.2 [13CH3][13CH2]CCCCCC(O)=O Amb22367489 [1,1,0,0,0,0|1,0,1]=4 960 B9R0.2 [N-]=[N+]=NCCCCC(O)=O Amb19516609 [1,1,0,0,0,0|2,0,0]=4 961 B9R0.4 C=CCCC(N)CC(N)=O Amb25367476 [1,1,0,0,0,0|2,0,0]=4 962 B9R0.4 C=CCCC(N)CC(O)=O Amb22641959 [1,1,0,0,0,0|1,0,0]=3 963 B9R0.4 C=CCCC(O)CC(O)=O Amb24763775 [1,1,0,0,0,0|1,0,0]=3 964 B9R0.4 C=CCC[C@@H](CC(=O)O)N Amb10066917 [1,1,0,0,0,0|1,0,0]=3 965 B9R0.4 C=CCC[C@H](CC(=O)O)N Amb10066925 [1,1,0,0,0,0|1,0,0]=3 966 B9R0.4 CC(=O)CC(=O)CCC=O Amb25365156 [1,1,0,0,0,0|1,0,1]=4 967 B9R0.4 CC(=O)CC(O)CCC=C Amb25735760 [1,1,0,0,0,0|2,0,0]=4 968 B9R0.4 CC(=O)C[C@@H](O)CCC=C Amb25723265 [1,1,0,0,0,0|2,0,0]=4 969 B9R0.4 CC(CC(C)=O)CCC=C Amb24738371 [1,1,0,0,0,0|2,0,0]=4 970 B9R0.4 CC(CC(O)=O)CCC#N Amb25789692 [1,1,0,0,0,0|1,0,1]=4 971 B9R0.4 CC(CC(O)=O)CCC=C Amb18643923 [1,1,0,0,0,0|1,0,0]=3 972 B9R0.4 CC(CCCCl)CC(O)=O Amb18646190 [1,1,0,0,0,0|1,0,1]=4 973 B9R0.4 CC(CCCN)CC(O)=O Amb24761313 [1,1,0,0,0,0|1,0,1]=4 974 B9R0.4 CCCCC(CC(=O)O)N Amb1993866 [1,1,0,0,0,0|1,0,1]=4 975 B9R0.4 CCCCC(O)CC(O)=O Amb22388888 [1,1,0,0,0,0|1,0,1]=4 976 B9R0.4 CCCC[C@@H](O)CC(O)=O Amb24350627 [1,1,0,0,0,0|1,0,1]=4 977 B9R0.4 CN(CC(N)=O)CCC=O Amb24476851 [1,1,0,0,0,0|2,0,0]=4 978 B9R0.4 CN(CC(O)=O)CCC=C Amb25683888 [1,1,0,0,0,0|2,0,0]=4 979 B9R0.4 CNCCC(C)CC(O)=O Amb24694269 [1,1,0,0,0,0|2,0,0]=4 980 B9R0.4 CNCC[C@@H](N)CC(O)=O Amb24117036 [1,1,0,0,0,0|2,0,0]=4 981 B9R0.4 CNCC[C@H](N)CC(O)=O Amb25789535 [1,1,0,0,0,0|2,0,0]=4 982 B9R0.4 CSCCC(N)CC(O)=O Amb22353181 [1,1,0,0,0,0|2,0,0]=4 983 B9R0.4 CSCCC(O)CC(O)=O Amb18798349 [1,1,0,0,0,0|2,0,0]=4 984 B9R0.4 CSCC[C@@H](CC(=O)O)N Amb16184019 [1,1,0,0,0,0|2,0,0]=4 985 B9R0.4 CSCC[C@H](N)CC(O)=O Amb22352993 [1,1,0,0,0,0|2,0,0]=4 986 B9R0.4 C[C@@H](CCCN)CC(O)=O Amb24744945 [1,1,0,0,0,0|1,0,1]=4 987 B9R0.4 C[C@H](CC(C)=O)CCC=O Amb25131149 [1,1,0,0,0,0|1,0,0]=3 988 B9R0.4 C[C@H](CC(O)=O)CCC#C Amb25064050 [1,1,0,0,0,0|1,0,1]=4 989 B9R0.4 C[C@H](CC(O)=O)CCC=C Amb24674116 [1,1,0,0,0,0|1,0,0]=3 990 B9R0.4 C[C@H](CC(O)=O)OCC=C Amb25697767 [1,1,0,0,0,0|2,0,0]=4 991 B9R0.4 C[C@H](CC(O)=O)OCCO Amb24713383 [1,1,0,0,0,0|1,0,1]=4 992 B9R0.4 C[C@H](CCCN)CC(O)=O Amb24715301 [1,1,0,0,0,0|1,0,1]=4 993 B9R0.4 C[C@H](CCCS)CC(O)=O Amb24358051 [1,1,0,0,0,0|0,1,1]=4 994 B9R0.4 NC(CCCS)CC(O)=O Amb24524306 [1,1,0,0,0,0|0,1,1]=4 995 B9R0.4 NCCCC(N)CC(O)=O Amb18644278 [1,1,0,0,0,0|1,0,1]=4 996 B9R0.4 NCCC[C@@H](N)CC(O)=O Amb24117039 [1,1,0,0,0,0|1,0,1]=4 997 B9R0.4 NCCC[C@@H](N)CC(O)=O Amb24117927 [1,1,0,0,0,0|1,0,1]=4 998 B9R0.4 NCCC[C@H](N)CC(O)=O Amb25757485 [1,1,0,0,0,0|1,0,1]=4 999 B9R0.4 O[C@@H](CCCBr)CC(O)=O Amb24605609 [1,1,0,0,0,0|1,0,1]=4 1000 B9R0.38 CS(=O)(=O)CCCCC=O Amb24447263 [1,1,0,0,0,0|1,0,1]=4 1001 B9R0.38 OCCCCCS(O)(=O)=O Amb25127860 [1,1,0,0,0,0|1,0,1]=4 1002 B9R0.38 OP(O)(=O)CCCCC=O Amb25100269 [1,1,0,0,0,0|1,0,0]=3 1003 B9R0.46 C=CC(=C)CCCCC=O Amb24364446 [1,1,0,0,0,0|2,0,0]=4 1004 B9R0.46 C=CCCCCC(=C)CO Amb25788970 [1,1,0,0,0,0|2,0,0]=4 1005 B9R0.46 C=CCCCCC(=O)C=C Amb25373427 [1,1,0,0,0,0|2,0,0]=4 1006 B9R0.46 C=CCCCCC(=O)CBr Amb25187234 [1,1,0,0,0,0|2,0,0]=4 1007 B9R0.46 C=CCCCCC(=O)CCl Amb24480553 [1,1,0,0,0,0|2,0,0]=4 1008 B9R0.46 C=CCCCCC(=O)CO Amb24708283 [1,1,0,0,0,0|1,0,0]=3 1009 B9R0.46 C=CCCCCC(=O)NN Amb24479057 [1,1,0,0,0,0|2,0,0]=4 1010 B9R0.46 C=CCCCNC(=O)CO Amb25699293 [1,1,0,0,0,0|2,0,0]=4 1011 B9R0.46 CCC(=O)CCCCC=O Amb25243006 [1,1,0,0,0,0|1,0,0]=3 1012 B9R0.46 CCC(=O)OCCCC=O Amb25270047 [1,1,0,0,0,0|2,0,0]=4 1013 B9R0.46 CCCCCCC(=O)NO Amb25146254 [1,1,0,0,0,0|1,0,1]=4 1014 B9R0.46 CN(CCCCC=O)C=O Amb24722873 [1,1,0,0,0,0|2,0,0]=4 1015 B9R0.46 CNC(=O)CCCCC=C Amb25368070 [1,1,0,0,0,0|2,0,0]=4 1016 B9R0.46 CNC(=O)CCCCC=O Amb25339730 [1,1,0,0,0,0|1,0,0]=3 1017 B9R0.46 CNC(=O)CCSCC=O Amb24657588 [1,1,0,0,0,0|2,0,0]=4 1018 B9R0.46 CNCCCCC(=O)OC Amb25725637 [1,1,0,0,0,0|2,0,0]=4 1019 B9R0.46 COC(=O)CCCCC#C Amb18636156 [1,1,0,0,0,0|1,0,1]=4 1020 B9R0.46 COC(=O)CCCCC#N Amb18643702 [1,1,0,0,0,0|1,0,1]=4 1021 B9R0.46 COC(=O)CCCCCCl Amb25703167 [1,1,0,0,0,0|1,0,1]=4 1022 B9R0.46 COC(=O)CCCCCI Amb24429888 [1,1,0,0,0,0|1,0,1]=4 1023 B9R0.46 COC(=O)CCCCCO Amb22002577 [1,1,0,0,0,0|0,0,1]=3 1024 B9R0.46 COC(=O)CCCC[Zn]Br Amb22898092 [1,1,0,0,0,0|2,0,0]=4 1025 B9R0.46 COC(=O)CCSCC=O Amb18183492 [1,1,0,0,0,0|1,0,0]=3 1026 B9R0.46 COC(=O)CC\C=C/C=O Amb24536495 [1,1,0,0,0,0|0,0,2]=4 1027 B9R0.46 COC(=O)CC\C=C\C=O Amb18643849 [1,1,0,0,0,0|0,0,2]=4 1028 B9R0.46 COC(=O)CSCCC=C Amb25143714 [1,1,0,0,0,0|2,0,0]=4 1029 B9R0.46 COC(=O)CSCCC=O Amb18788129 [1,1,0,0,0,0|1,0,0]=3 1030 B9R0.46 COC(=O)OCCCCO Amb25056213 [1,1,0,0,0,0|1,0,1]=4 1031 B9R0.46 COC(=O)\C=C/CCC=O Amb25857445 [1,1,0,0,0,0|0,0,2]=4 1032 B9R0.46 COC(=O)\C=C\CCC=O Amb18643851 [1,1,0,0,0,0|0,0,2]=4 1033 B9R0.46 COCCCCC(=O)NO Amb24431421 [1,1,0,0,0,0|2,0,0]=4 1034 B9R0.46 COCCCCC(=O)OC Amb25136902 [1,1,0,0,0,0|2,0,0]=4 1035 B9R0.46 C\C=C(/C)\CCCCC=O Amb25101803 [1,1,0,0,0,0|2,0,0]=4 1036 B9R0.46 C\C=C(\C)/CCCCC=O Amb25366484 [1,1,0,0,0,0|2,0,0]=4 1037 B9R0.46 C\C=C\CCCC(=O)OC Amb24356360 [1,1,0,0,0,0|1,0,1]=4 1038 B9R0.46 NCCCCCC(=O)NO Amb25146421 [1,1,0,0,0,0|1,0,1]=4 1039 B9R0.46 NCCCCCC(=O)OC Amb1152885 [1,1,0,0,0,0|1,0,1]=4 1040 B9R0.46 NCCCCCC(=O)OC Amb16203805 [1,1,0,0,0,0|1,0,1]=4 1041 B9R0.46 NCCCCCC(=O)OC Amb1935045 [1,1,0,0,0,0|1,0,1]=4 1042 B9R0.46 O=CCCCCC(=O)OC Amb16233585 [1,1,0,0,0,0|0,0,0]=2 1043 B9R0.46 OCCCCCC(=O)C=O Amb24478225 [1,1,0,0,0,0|0,0,2]=4 1044 B9R0.46 ONC(=O)CCCCC=O Amb24382910 [1,1,0,0,0,0|0,0,0]=2 1045 B9R0.47 C#CCCCC(O)C(O)=O Amb25221599 [1,1,0,0,0,0|1,0,1]=4 1046 B9R0.47 C#CCCC[C@@H](N)C(O)=O Amb24077358 [1,1,0,0,0,0|1,0,1]=4 1047 B9R0.47 C#CCCC[C@H](N)C(O)=O Amb24088878 [1,1,0,0,0,0|1,0,1]=4 1048 B9R0.47 C=C(CCCC=C)C(O)=O Amb24585641 [1,1,0,0,0,0|1,0,1]=4 1049 B9R0.47 C=C(CCCCO)C(O)=O Amb24479220 [1,1,0,0,0,0|0,0,2]=4 1050 B9R0.47 C=CCCCC(=O)C(O)=O Amb24459619 [1,1,0,0,0,0|1,0,1]=4 1051 B9R0.47 C=CCCCC(Cl)C(=O)Cl Amb24509720 [1,1,0,0,0,0|2,0,0]=4 1052 B9R0.47 C=CCCCC(Cl)C(O)=O Amb18645742 [1,1,0,0,0,0|1,0,0]=3 1053 B9R0.47 C=CCCCC(N)C(O)=O Amb22002149 [1,1,0,0,0,0|1,0,0]=3 1054 B9R0.47 C=CCCC[C@@H](N)C(N)=O Amb25824644 [1,1,0,0,0,0|2,0,0]=4 1055 B9R0.47 C=CCCC[C@@H](N)C(O)=O Amb22831130 [1,1,0,0,0,0|1,0,0]=3 1056 B9R0.47 C=CCCC[C@@H](O)C(O)=O Amb24714998 [1,1,0,0,0,0|1,0,0]=3 1057 B9R0.47 C=CCCC[C@H](O)C(O)=O Amb24763769 [1,1,0,0,0,0|1,0,0]=3 1058 B9R0.47 C=CCCOC(F)C(O)=O Amb25683023 [1,1,0,0,0,0|2,0,0]=4 1059 B9R0.47 C=CCNCC(O)C(O)=O Amb25344930 [1,1,0,0,0,0|2,0,0]=4 1060 B9R0.47 C=CCOCC(Cl)C(O)=O Amb24589021 [1,1,0,0,0,0|2,0,0]=4 1061 B9R0.47 C=CCOCC(O)C(O)=O Amb24655623 [1,1,0,0,0,0|2,0,0]=4 1062 B9R0.47 C=CCOC[C@H](N)C(O)=O Amb24713287 [1,1,0,0,0,0|2,0,0]=4 1063 B9R0.47 C=CCSC[C@@H](N)C(O)=O Amb22745979 [1,1,0,0,0,0|2,0,0]=4 1064 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231426 [1,1,0,0,0,0|2,0,0]=4 1065 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231427 [1,1,0,0,0,0|2,0,0]=4 1066 B9R0.47 CC(=O)C(O)CCCC=C Amb24577858 [1,1,0,0,0,0|2,0,0]=4 1067 B9R0.47 CC(CCCC#C)C(O)=O Amb25824201 [1,1,0,0,0,0|1,0,1]=4 1068 B9R0.47 CC(CCCC=C)C(O)=O Amb18643893 [1,1,0,0,0,0|1,0,0]=3 1069 B9R0.47 CC(CCCC=O)C(=O)Cl Amb24448943 [1,1,0,0,0,0|1,0,0]=3 1070 B9R0.47 CC(CCCC=O)C(C)=O Amb24478226 [1,1,0,0,0,0|1,0,0]=3 1071 B9R0.47 CC(CCCCF)C(O)=O Amb24370978 [1,1,0,0,0,0|1,0,1]=4 1072 B9R0.47 CC(CCCCN)C(O)=O Amb18644200 [1,1,0,0,0,0|1,0,1]=4 1073 B9R0.47 CC(CCOC=O)C(O)=O Amb18644245 [1,1,0,0,0,0|1,0,0]=3 1074 B9R0.47 CC(NCCC=C)C(O)=O Amb25309133 [1,1,0,0,0,0|2,0,0]=4 1075 B9R0.47 CC(O)C(O)CCCC=O Amb24598279 [1,1,0,0,0,0|1,0,1]=4 1076 B9R0.47 CC(OCCCO)C(O)=O Amb25132795 [1,1,0,0,0,0|1,0,1]=4 1077 B9R0.47 CCCCCC(Br)C(O)=O Amb18130346 [1,1,0,0,0,0|1,0,1]=4 1078 B9R0.47 CCCCCC(C(=O)O)F Amb17593693 [1,1,0,0,0,0|1,0,1]=4 1079 B9R0.47 CCCCCC(Cl)C(O)=O Amb18646187 [1,1,0,0,0,0|1,0,1]=4 1080 B9R0.47 CCCCCC(O)C(O)=O Amb17778103 [1,1,0,0,0,0|1,0,1]=4 1081 B9R0.47 CCCCC[C@@H](C(=O)O)C Amb10844510 [1,1,0,0,0,0|1,0,1]=4 1082 B9R0.47 CCCCC[C@@H](N)C(O)=O Amb22745982 [1,1,0,0,0,0|1,0,1]=4 1083 B9R0.47 CCCCC[C@H](C(=O)O)C Amb10844515 [1,1,0,0,0,0|1,0,1]=4 1084 B9R0.47 CCCCC[C@H](N)C(O)=O Amb17943098 [1,1,0,0,0,0|1,0,1]=4 1085 B9R0.47 CCCCC[C@H](O)C(O)=O Amb25728353 [1,1,0,0,0,0|1,0,1]=4 1086 B9R0.47 CNCCCC(C)C(O)=O Amb25313872 [1,1,0,0,0,0|2,0,0]=4 1087 B9R0.47 CNCCCC(N)C(O)=O Amb18644279 [1,1,0,0,0,0|2,0,0]=4 1088 B9R0.47 CNCCC[C@H](N)C(O)=O Amb24377155 [1,1,0,0,0,0|2,0,0]=4 1089 B9R0.47 COCCCC(N)C(O)=O Amb20628315 [1,1,0,0,0,0|2,0,0]=4 1090 B9R0.47 COCCCC(N)C(O)=O Amb22058809 [1,1,0,0,0,0|2,0,0]=4 1091 B9R0.47 COCCC[C@@H](N)C(O)=O Amb25081508 [1,1,0,0,0,0|2,0,0]=4 1092 B9R0.47 COCCC[C@H](N)C(O)=O Amb25378737 [1,1,0,0,0,0|2,0,0]=4 1093 B9R0.47 CSCCCC(C(=O)O)N Amb17594057 [1,1,0,0,0,0|2,0,0]=4 1094 B9R0.47 CSCCCC(O)C(O)=O Amb25169340 [1,1,0,0,0,0|2,0,0]=4 1095 B9R0.47 C[C@@H](NCCC=C)C(O)=O Amb25702627 [1,1,0,0,0,0|2,0,0]=4 1096 B9R0.47 C[C@@H](OCCCO)C(O)=O Amb24692362 [1,1,0,0,0,0|1,0,1]=4 1097 B9R0.47 C[C@H](OCCCO)C(O)=O Amb25720488 [1,1,0,0,0,0|1,0,1]=4 1098 B9R0.47 N#CCCCC(C(=O)O)Cl Amb17594023 [1,1,0,0,0,0|1,0,1]=4 1099 B9R0.47 NC(CCCC#N)C(O)=O Amb25242567 [1,1,0,0,0,0|1,0,1]=4 1100 B9R0.47 NC(CCCCCl)C(O)=O Amb25141944 [1,1,0,0,0,0|1,0,1]=4 1101 B9R0.47 NC(CCCCS)C(O)=O Amb25363159 [1,1,0,0,0,0|0,1,1]=4 1102 B9R0.47 NC(CCCNO)C(O)=O Amb24722710 [1,1,0,0,0,0|1,0,0]=3 1103 B9R0.47 NC(CCC[13CH2][15NH2])C(O)=O Amb22351283 [1,1,0,0,0,0|1,0,1]=4 1104 B9R0.47 NC(CCNC=O)C(O)=O Amb24355941 [1,1,0,0,0,0|1,0,0]=3 1105 B9R0.47 NC(CCNCO)C(O)=O Amb25701616 [1,1,0,0,0,0|1,0,1]=4 1106 B9R0.47 NC(CNCCO)C(O)=O Amb25073329 [1,1,0,0,0,0|1,0,1]=4 1107 B9R0.47 NCCCCC(Cl)C(O)=O Amb24540314 [1,1,0,0,0,0|1,0,1]=4 1108 B9R0.47 NCCCCC(F)C(O)=O Amb25147460 [1,1,0,0,0,0|1,0,1]=4 1109 B9R0.47 NCCCCC(N)C(O)=O Amb22349470 [1,1,0,0,0,0|1,0,1]=4 1110 B9R0.47 NCCCCC(N)C(O)=O Amb22489521 [1,1,0,0,0,0|1,0,1]=4 1111 B9R0.47 NCCCCC(N)[13C](O)=O Amb22338743 [1,1,0,0,0,0|1,0,1]=4 1112 B9R0.47 NCCCCC(O)C(O)=O Amb18644320 [1,1,0,0,0,0|1,0,1]=4 1113 B9R0.47 NCCCCC(S)C(O)=O Amb24652524 [1,1,0,0,0,0|1,0,1]=4 1114 B9R0.47 NCCCCC([15NH2])C(O)=O Amb22351358 [1,1,0,0,0,0|1,0,1]=4 1115 B9R0.47 NCCCC[13CH](N)C(O)=O Amb22351886 [1,1,0,0,0,0|1,0,1]=4 1116 B9R0.47 NCCCC[13CH](N)[13C](O)=O Amb22336528 [1,1,0,0,0,0|1,0,1]=4 1117 B9R0.47 NCCCC[C@@H](C(=O)O)C Amb10844513 [1,1,0,0,0,0|1,0,1]=4 1118 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22744766 [1,1,0,0,0,0|1,0,1]=4 1119 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22746247 [1,1,0,0,0,0|1,0,1]=4 1120 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22750565 [1,1,0,0,0,0|1,0,1]=4 1121 B9R0.47 NCCCC[C@H](C(=O)O)N Amb10072417 [1,1,0,0,0,0|1,0,1]=4 1122 B9R0.47 NCCCC[C@H](O)C(O)=O Amb25303562 [1,1,0,0,0,0|1,0,1]=4 1123 B9R0.47 NCCCC[C@H]([15NH2])C(O)=O Amb22354049 [1,1,0,0,0,0|1,0,1]=4 1124 B9R0.47 NNCCCC(N)C(O)=O Amb24378076 [1,1,0,0,0,0|2,0,0]=4 1125 B9R0.47 NNCCC[C@H](N)C(O)=O Amb24623157 [1,1,0,0,0,0|2,0,0]=4 1126 B9R0.47 NOCCCC(N)C(O)=O Amb24117962 [1,1,0,0,0,0|2,0,0]=4 1127 B9R0.47 N[13CH2]CCCC(N)C(O)=O Amb22367560 [1,1,0,0,0,0|1,0,1]=4 1128 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O Amb22337497 [1,1,0,0,0,0|1,0,1]=4 1129 B9R0.47 N[14CH2][14CH2][14CH2][14CH2][14CH](N)[14C](O)=O Amb22349598 [1,1,0,0,0,0|1,0,1]=4 1130 B9R0.47 N[C@@H](C(=O)O)CSCC=C Amb10843878 [1,1,0,0,0,0|2,0,0]=4 1131 B9R0.47 N[C@@H](CCCCO)C(O)=O Amb22900800 [1,1,0,0,0,0|0,0,1]=3 1132 B9R0.47 N[C@@H](CCCCS)C(O)=O Amb25729289 [1,1,0,0,0,0|0,1,1]=4 1133 B9R0.47 N[C@@H](CCCC[NH3+])C(O)=O Amb22801419 [1,1,0,0,0,0|1,0,1]=4 1134 B9R0.47 N[C@@H](CCCNO)C(O)=O Amb25075377 [1,1,0,0,0,0|1,0,0]=3 1135 B9R0.47 N[C@@H](CCNC=O)C(O)=O Amb24692356 [1,1,0,0,0,0|1,0,0]=3 1136 B9R0.47 N[C@@H](CCNCO)C(O)=O Amb24760325 [1,1,0,0,0,0|1,0,1]=4 1137 B9R0.47 N[C@@H](CCSN=O)C(O)=O Amb24665147 [1,1,0,0,0,0|2,0,0]=4 1138 B9R0.47 N[C@@H](CNCCO)C(O)=O Amb25146307 [1,1,0,0,0,0|1,0,1]=4 1139 B9R0.47 N[C@@H](COCCO)C(O)=O Amb24479093 [1,1,0,0,0,0|1,0,1]=4 1140 B9R0.47 N[C@H](CNCCO)C(O)=O Amb24617539 [1,1,0,0,0,0|1,0,1]=4 1141 B9R0.47 O=CCCCC(C(=O)O)N Amb17619026 [1,1,0,0,0,0|0,0,0]=2 1142 B9R0.47 OC(=O)C(=O)CCCC=O Amb25789953 [1,1,0,0,0,0|0,0,1]=3 1143 B9R0.47 OC(=O)C(Br)CCCCBr Amb21964537 [1,1,0,0,0,0|1,0,1]=4 1144 B9R0.47 OC(=O)C(Cl)CCCCCl Amb24442431 [1,1,0,0,0,0|1,0,1]=4 1145 B9R0.47 OC(=O)C(F)CCCCF Amb24482414 [1,1,0,0,0,0|1,0,1]=4 1146 B9R0.47 OC(CCNC=O)C(O)=O Amb24480985 [1,1,0,0,0,0|1,0,0]=3 1147 B9R0.47 OCCCCC(O)C(O)=O Amb18644356 [1,1,0,0,0,0|0,0,1]=3 1148 B9R0.47 OCCCC[C@H](O)C(O)=O Amb24480682 [1,1,0,0,0,0|0,0,1]=3 1149 B9R0.47 OCCCSC(F)C(O)=O Amb24659088 [1,1,0,0,0,0|1,0,1]=4 1150 B9R0.47 OCCNC[C@H](O)C(O)=O Amb25316160 [1,1,0,0,0,0|1,0,1]=4 1151 B9R0.47 OCCSCC(O)C(O)=O Amb25211640 [1,1,0,0,0,0|1,0,1]=4 1152 B9R0.47 O[C@@H](CCNC=O)C(O)=O Amb24481075 [1,1,0,0,0,0|1,0,0]=3 1153 B9R0.47 [15NH2]CCCCC([15NH2])C(O)=O Amb22363194 [1,1,0,0,0,0|1,0,1]=4 1154 B9R0.47 [15NH2]CCCC[C@H]([15NH2])C(O)=O Amb22353587 [1,1,0,0,0,0|1,0,1]=4 1155 B9R0.48 C#CCC(O)CCC(O)=O Amb25077171 [1,1,0,0,0,0|1,0,1]=4 1156 B9R0.48 C=CCC(=O)CCC(O)=O Amb18643852 [1,1,0,0,0,0|1,0,1]=4 1157 B9R0.48 C=CCC(N)CCC(O)=O Amb25132628 [1,1,0,0,0,0|1,0,0]=3 1158 B9R0.48 C=CCN(CCC(=O)O)C Amb17334214 [1,1,0,0,0,0|2,0,0]=4 1159 B9R0.48 C=CCS(=O)CCC(O)=O Amb25032474 [1,1,0,0,0,0|2,0,0]=4 1160 B9R0.48 C=CC[C@@H](N)CCC(O)=O Amb25308063 [1,1,0,0,0,0|1,0,0]=3 1161 B9R0.48 CC(=O)OCC(O)CC=O Amb24736983 [1,1,0,0,0,0|2,0,0]=4 1162 B9R0.48 CC(=O)OC[C@H](O)CC=O Amb24758802 [1,1,0,0,0,0|2,0,0]=4 1163 B9R0.48 CC(CC#C)CCC(O)=O Amb25331115 [1,1,0,0,0,0|1,0,1]=4 1164 B9R0.48 CC(CC#N)CCC(O)=O Amb25826195 [1,1,0,0,0,0|1,0,1]=4 1165 B9R0.48 CC(CC=C)NCC(O)=O Amb25096722 [1,1,0,0,0,0|2,0,0]=4 1166 B9R0.48 CC(CC=C)OCC(O)=O Amb25064284 [1,1,0,0,0,0|2,0,0]=4 1167 B9R0.48 CC(CC=O)COC(C)=O Amb18644137 [1,1,0,0,0,0|2,0,0]=4 1168 B9R0.48 CC(CCC(O)=O)NC=O Amb24602293 [1,1,0,0,0,0|1,0,0]=3 1169 B9R0.48 CC(CCN)CCC(O)=O Amb18124749 [1,1,0,0,0,0|1,0,1]=4 1170 B9R0.48 CC(CCO)SCC(O)=O Amb25056289 [1,1,0,0,0,0|1,0,1]=4 1171 B9R0.48 CCCC(Br)CCC(O)=O Amb24469305 [1,1,0,0,0,0|1,0,1]=4 1172 B9R0.48 CCCC(CCC(=O)O)N Amb1014101 [1,1,0,0,0,0|1,0,1]=4 1173 B9R0.48 CCCC(Cl)CCC(O)=O Amb23590328 [1,1,0,0,0,0|1,0,1]=4 1174 B9R0.48 CCCC(O)CCC(O)=O Amb17689110 [1,1,0,0,0,0|1,0,1]=4 1175 B9R0.48 CCC[C@@H](C)CCC(O)=O Amb24548514 [1,1,0,0,0,0|1,0,1]=4 1176 B9R0.48 CCC[C@H](C)CCC(O)=O Amb24446759 [1,1,0,0,0,0|1,0,1]=4 1177 B9R0.48 CCC[C@H](N)CCC(O)=O Amb25211817 [1,1,0,0,0,0|1,0,1]=4 1178 B9R0.48 CNCC(O)CCC(O)=O Amb24745159 [1,1,0,0,0,0|2,0,0]=4 1179 B9R0.48 COCC(C)CCC(O)=O Amb25340432 [1,1,0,0,0,0|2,0,0]=4 1180 B9R0.48 C[C@@H](CC=O)CCC(O)=O Amb24505022 [1,1,0,0,0,0|0,0,0]=2 1181 B9R0.48 C[C@@H](CCS)CCC(O)=O Amb24693959 [1,1,0,0,0,0|0,1,1]=4 1182 B9R0.48 C[C@H](CCBr)CCC(O)=O Amb24585993 [1,1,0,0,0,0|1,0,1]=4 1183 B9R0.48 C[C@H](CCO)CCC(C)=O Amb25319945 [1,1,0,0,0,0|1,0,1]=4 1184 B9R0.48 C\C=C\C(O)CCC(O)=O Amb25275755 [1,1,0,0,0,0|1,0,1]=4 1185 B9R0.48 C\C=C\[C@H](O)CCC(O)=O Amb24538051 [1,1,0,0,0,0|1,0,1]=4 1186 B9R0.48 NC(=O)CCS(=O)CC=O Amb24681397 [1,1,0,0,0,0|2,0,0]=4 1187 B9R0.48 NC(CC#N)CCC(O)=O Amb24595715 [1,1,0,0,0,0|1,0,1]=4 1188 B9R0.48 NC(CCS)CCC(O)=O Amb24453471 [1,1,0,0,0,0|0,1,1]=4 1189 B9R0.48 NN(CCO)CCC(O)=O Amb25259231 [1,1,0,0,0,0|1,0,1]=4 1190 B9R0.48 N[C@@H](CCO)CCC(O)=O Amb25756968 [1,1,0,0,0,0|0,0,1]=3 1191 B9R0.48 N[C@H](CC#N)CCC(O)=O Amb24541852 [1,1,0,0,0,0|1,0,1]=4 1192 B9R0.48 OC(=O)CCC(=O)CC=O Amb18644074 [1,1,0,0,0,0|0,0,1]=3 1193 B9R0.48 OC(=O)CCC(=O)CCO Amb25265246 [1,1,0,0,0,0|0,0,2]=4 1194 B9R0.48 OC(CCS)CCC(O)=O Amb25320980 [1,1,0,0,0,0|0,1,1]=4 1195 B9R0.48 OCC[C@H](O)CCC(O)=O Amb25843738 [1,1,0,0,0,0|0,0,1]=3 1196 B9R0.7 C=C(NCC(O)=O)C(O)=O Amb24350752 [0,1,0,0,1,0|1,0,1]=4 1197 B9R0.7 CC(=C)CCC(C)C(O)=O Amb25809141 [0,1,0,0,1,0|2,0,0]=4 1198 B9R0.7 CC(=C)CC[C@@H](C)C(O)=O Amb25685103 [0,1,0,0,1,0|2,0,0]=4 1199 B9R0.7 CC(=C)CC[C@@H](N)C(O)=O Amb25775219 [0,1,0,0,1,0|2,0,0]=4 1200 B9R0.7 CC(=O)C(=O)CCC(O)=O Amb24359327 [0,1,0,0,1,0|1,0,1]=4 1201 B9R0.7 CC(=O)C(Br)CCC(O)=O Amb25733508 [0,1,0,0,1,0|1,0,0]=3 1202 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,1,0,0,1,0|2,0,0]=4 1203 B9R0.7 CC(=O)C(Cl)CCC(=O)Cl Amb24373858 [0,1,0,0,1,0|2,0,0]=4 1204 B9R0.7 CC(=O)C(N)CCC(N)=O Amb25231237 [0,1,0,0,1,0|2,0,0]=4 1205 B9R0.7 CC(=O)CCC(C)C(C)=O Amb25146789 [0,1,0,0,1,0|2,0,0]=4 1206 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [0,1,0,0,1,0|1,0,0]=3 1207 B9R0.7 CC(=O)CCC(F)C(C)=O Amb25369738 [0,1,0,0,1,0|2,0,0]=4 1208 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [0,1,0,0,1,0|1,0,0]=3 1209 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [0,1,0,0,1,0|1,0,0]=3 1210 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [0,1,0,0,1,0|1,0,0]=3 1211 B9R0.7 CC(=O)CC[C@H](C)C(C)=O Amb25692099 [0,1,0,0,1,0|2,0,0]=4 1212 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [0,1,0,0,1,0|1,0,0]=3 1213 B9R0.7 CC(=O)CSC(C(=O)O)C Amb17501621 [0,1,0,0,1,0|2,0,0]=4 1214 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [0,1,0,0,1,0|2,0,0]=4 1215 B9R0.7 CC(=O)NCC(F)C(O)=O Amb25356174 [0,1,0,0,1,0|2,0,0]=4 1216 B9R0.7 CC(=O)NCC(O)C(O)=O Amb25374579 [0,1,0,0,1,0|2,0,0]=4 1217 B9R0.7 CC(=O)NC[C@H](N)C(O)=O Amb25772091 [0,1,0,0,1,0|2,0,0]=4 1218 B9R0.7 CC(=O)NC[C@H](O)C(O)=O Amb24480830 [0,1,0,0,1,0|2,0,0]=4 1219 B9R0.7 CC(=O)OCC(C(=O)O)N Amb17593668 [0,1,0,0,1,0|2,0,0]=4 1220 B9R0.7 CC(=O)OCC(Cl)C(O)=O Amb24425506 [0,1,0,0,1,0|2,0,0]=4 1221 B9R0.7 CC(=O)OC[C@@H](C)C(O)=O Amb25187888 [0,1,0,0,1,0|2,0,0]=4 1222 B9R0.7 CC(=O)OC[C@@H](N)C(O)=O Amb22756697 [0,1,0,0,1,0|2,0,0]=4 1223 B9R0.7 CC(=O)SCC(Cl)C(O)=O Amb24423824 [0,1,0,0,1,0|2,0,0]=4 1224 B9R0.7 CC(=O)SCC(N)C(O)=O Amb22490452 [0,1,0,0,1,0|2,0,0]=4 1225 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N Amb16185419 [0,1,0,0,1,0|2,0,0]=4 1226 B9R0.7 CC(=O)[C@@H](C)CCC(O)=O Amb25333003 [0,1,0,0,1,0|1,0,0]=3 1227 B9R0.7 CC(=O)[C@@H](N)CCC(N)=O Amb25142080 [0,1,0,0,1,0|2,0,0]=4 1228 B9R0.7 CC(=O)[C@@H](N)CCC(O)=O Amb24386065 [0,1,0,0,1,0|1,0,0]=3 1229 B9R0.7 CC(=O)[C@H](C)CCC(O)=O Amb24671283 [0,1,0,0,1,0|1,0,0]=3 1230 B9R0.7 CC(CCC(O)=O)[N+]([O-])=O Amb25221792 [0,1,0,0,1,0|1,0,1]=4 1231 B9R0.7 CC(CNC(N)=O)C(O)=O Amb18298054 [0,1,0,0,1,0|2,0,0]=4 1232 B9R0.7 CC(N=CC(O)=O)C(O)=O Amb24446584 [0,1,0,0,1,0|1,0,1]=4 1233 B9R0.7 CC(O)C(O)CCC(O)=O Amb25054706 [0,1,0,0,1,0|1,0,1]=4 1234 B9R0.7 CC(O)CCC(C)C(O)=O Amb25848509 [0,1,0,0,1,0|1,0,1]=4 1235 B9R0.7 CC(OCC(N)=O)C(O)=O Amb24660109 [0,1,0,0,1,0|2,0,0]=4 1236 B9R0.7 CC(OCC(O)=O)C(O)=O Amb25292152 [0,1,0,0,1,0|1,0,0]=3 1237 B9R0.7 CC(\C=C\C(O)=O)C(O)=O Amb24409525 [0,1,0,0,1,0|0,0,2]=4 1238 B9R0.7 CN(CCC(O)=O)C(N)=O Amb18984979 [0,1,0,0,1,0|2,0,0]=4 1239 B9R0.7 CP(O)CCC(N)C(O)=O Amb25295427 [0,1,0,0,1,0|2,0,0]=4 1240 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O Amb19133021 [0,1,0,0,1,0|2,0,0]=4 1241 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [0,1,0,0,1,0|0,0,0]=2 1242 B9R0.7 C[C@@H](CC[N+]([O-])=O)C(O)=O Amb24330210 [0,1,0,0,1,0|1,0,1]=4 1243 B9R0.7 C[C@@H](NCC(N)=O)C(O)=O Amb25849548 [0,1,0,0,1,0|2,0,0]=4 1244 B9R0.7 C[C@@H](NCC(O)=O)C(O)=O Amb22748947 [0,1,0,0,1,0|1,0,0]=3 1245 B9R0.7 C[C@@H](SCC(O)=O)C(O)=O Amb24482305 [0,1,0,0,1,0|1,0,0]=3 1246 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [0,1,0,0,1,0|0,0,0]=2 1247 B9R0.7 C[C@H](NCC(N)=O)C(O)=O Amb24753576 [0,1,0,0,1,0|2,0,0]=4 1248 B9R0.7 C[C@H](NCC(O)=O)C(O)=O Amb25133540 [0,1,0,0,1,0|1,0,0]=3 1249 B9R0.7 C[C@H](O)CC[C@@H](C)C(O)=O Amb25378744 [0,1,0,0,1,0|1,0,1]=4 1250 B9R0.7 C[C@H](O)[C@H](C)CCC(O)=O Amb25340448 [0,1,0,0,1,0|1,0,1]=4 1251 B9R0.7 C[C@H](OCC(O)=O)C(O)=O Amb24393806 [0,1,0,0,1,0|1,0,0]=3 1252 B9R0.7 N=C(CCC(O)=O)C(O)=O Amb25064299 [0,1,0,0,1,0|0,0,1]=3 1253 B9R0.7 NC(=O)C(=O)CCC(O)=O Amb25279394 [0,1,0,0,1,0|1,0,1]=4 1254 B9R0.7 NC(=O)C(N)CCC(O)=O Amb18644256 [0,1,0,0,1,0|1,0,0]=3 1255 B9R0.7 NC(=O)CCC(F)C(O)=O Amb24745286 [0,1,0,0,1,0|1,0,0]=3 1256 B9R0.7 NC(=O)CCC(O)C(O)=O Amb25275311 [0,1,0,0,1,0|1,0,0]=3 1257 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [0,1,0,0,1,0|1,0,0]=3 1258 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,1,0,0,1,0|2,0,0]=4 1259 B9R0.7 NC(=O)CC[C@H](Br)C(O)=O Amb25223377 [0,1,0,0,1,0|1,0,0]=3 1260 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,1,0,0,1,0|2,0,0]=4 1261 B9R0.7 NC(=O)CC[C@H](O)C(N)=O Amb24480731 [0,1,0,0,1,0|2,0,0]=4 1262 B9R0.7 NC(=O)NCC(C(=O)O)F Amb17610485 [0,1,0,0,1,0|2,0,0]=4 1263 B9R0.7 NC(=O)NC[C@@H](C(=O)O)C Amb10844047 [0,1,0,0,1,0|2,0,0]=4 1264 B9R0.7 NC(=O)NC[C@@H](F)C(O)=O Amb24389552 [0,1,0,0,1,0|2,0,0]=4 1265 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [0,1,0,0,1,0|2,0,0]=4 1266 B9R0.7 NC(=O)N[13CH2][13CH]([13C](=O)O)F Amb17610486 [0,1,0,0,1,0|2,0,0]=4 1267 B9R0.7 NC(=O)SC[C@H](C(=O)O)N Amb10072293 [0,1,0,0,1,0|2,0,0]=4 1268 B9R0.7 NC(=O)SC[C@H](N)C(O)=O Amb22735296 [0,1,0,0,1,0|2,0,0]=4 1269 B9R0.7 NC(=O)[C@@H](N)CCC(O)=O Amb22745051 [0,1,0,0,1,0|1,0,0]=3 1270 B9R0.7 NC(=O)[C@H](N)CCC(O)=O Amb24557281 [0,1,0,0,1,0|1,0,0]=3 1271 B9R0.7 NC(CCB(O)O)C(O)=O Amb22497480 [0,1,0,0,1,0|1,0,1]=4 1272 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [0,1,0,0,1,0|1,0,0]=3 1273 B9R0.7 NC(CCC(=O)Cl)C(=O)Cl Amb25101509 [0,1,0,0,1,0|2,0,0]=4 1274 B9R0.7 NC(CCC(O)=O)C(=O)[Na] Amb24375221 [0,1,0,0,1,0|1,0,0]=3 1275 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,1,0,0,1,0|0,0,0]=2 1276 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,1,0,0,1,0|0,0,0]=2 1277 B9R0.7 NC(CCC(O)=O)P(O)=O Amb24340498 [0,1,0,0,1,0|1,0,0]=3 1278 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,1,0,0,1,0|0,0,0]=2 1279 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [0,1,0,0,1,0|0,1,0]=3 1280 B9R0.7 NC(CCC([O-])=O)C([O-])=O Amb22369354 [0,1,0,0,1,0|0,0,2]=4 1281 B9R0.7 NC(CCP(O)=O)C(O)=O Amb25276313 [0,1,0,0,1,0|1,0,0]=3 1282 B9R0.7 NC(CCS(O)=O)C(O)=O Amb22349645 [0,1,0,0,1,0|1,0,0]=3 1283 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,1,0,0,1,0|0,0,0]=2 1284 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [0,1,0,0,1,0|1,0,0]=3 1285 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [0,1,0,0,1,0|1,0,0]=3 1286 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [0,1,0,0,1,0|1,0,0]=3 1287 B9R0.7 N[C@@H](CCC(=O)Cl)C(=O)Cl Amb25138653 [0,1,0,0,1,0|2,0,0]=4 1288 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [0,1,0,0,1,0|1,0,0]=3 1289 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O Amb22745619 [0,1,0,0,1,0|0,0,1]=3 1290 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,1,0,0,1,0|0,0,0]=2 1291 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [0,1,0,0,1,0|0,1,0]=3 1292 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [0,1,0,0,1,0|0,0,1]=3 1293 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [0,1,0,0,1,0|0,0,1]=3 1294 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [0,1,0,0,1,0|0,0,1]=3 1295 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [0,1,0,0,1,0|0,0,1]=3 1296 B9R0.7 N[C@@H](CCC([O-])=O)C([O-])=O Amb22799952 [0,1,0,0,1,0|0,0,2]=4 1297 B9R0.7 N[C@@H](CCP(O)=O)C(O)=O Amb22904307 [0,1,0,0,1,0|1,0,0]=3 1298 B9R0.7 N[C@@H](CC[N+]([O-])=O)C(O)=O Amb25227987 [0,1,0,0,1,0|1,0,1]=4 1299 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,1,0,0,1,0|0,0,0]=2 1300 B9R0.7 N[C@H](CCS(O)=O)C(O)=O Amb24099404 [0,1,0,0,1,0|1,0,0]=3 1301 B9R0.7 O=C(Cl)CCC(Cl)C(=O)Cl Amb25759080 [0,1,0,0,1,0|2,0,0]=4 1302 B9R0.7 OC(=O)C(=S)NCC(O)=O Amb24423880 [0,1,0,0,1,0|1,0,1]=4 1303 B9R0.7 OC(=O)C(Cl)SCC(O)=O Amb24390363 [0,1,0,0,1,0|1,0,0]=3 1304 B9R0.7 OC(=O)C(O)SCC(O)=O Amb24524554 [0,1,0,0,1,0|1,0,0]=3 1305 B9R0.7 OC(=O)CCC(=O)C(=O)O Amb1154117 [0,1,0,0,1,0|0,0,1]=3 1306 B9R0.7 OC(=O)CCC(=O)C(=O)[O-] Amb10072616 [0,1,0,0,1,0|0,0,2]=4 1307 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22349893 [0,1,0,0,1,0|0,0,1]=3 1308 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22350267 [0,1,0,0,1,0|0,0,1]=3 1309 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22746233 [0,1,0,0,1,0|0,0,1]=3 1310 B9R0.7 OC(=O)CCC(=O)[13C](O)=O Amb22055609 [0,1,0,0,1,0|0,0,1]=3 1311 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [0,1,0,0,1,0|0,0,0]=2 1312 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,1,0,0,1,0|0,0,0]=2 1313 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [0,1,0,0,1,0|0,0,0]=2 1314 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [0,1,0,0,1,0|0,0,0]=2 1315 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [0,1,0,0,1,0|0,0,0]=2 1316 B9R0.7 OC(=O)CNC(=O)C(=O)O Amb2447304 [0,1,0,0,1,0|1,0,1]=4 1317 B9R0.7 OC(=O)CSC(C(=O)O)C Amb2431034 [0,1,0,0,1,0|1,0,0]=3 1318 B9R0.7 OC(=O)\C(\Br)=C/CC(O)=O Amb25364176 [0,1,0,0,1,0|0,0,2]=4 1319 B9R0.7 OC(=O)\C=C/C(O)C(O)=O Amb25757882 [0,1,0,0,1,0|0,0,2]=4 1320 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [0,1,0,0,1,0|1,0,0]=3 1321 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [0,1,0,0,1,0|1,0,0]=3 1322 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,1,0,0,1,0|0,0,0]=2 1323 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,1,0,0,1,0|0,0,0]=2 1324 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [0,1,0,0,1,0|1,0,0]=3 1325 B9R0.7 [O-]C(=O)C(=O)CCC(O)=O Amb22166891 [0,1,0,0,1,0|0,0,2]=4 1326 B9R0.7 [O-]C(=O)CCC(=O)C(O)=O Amb22231405 [0,1,0,0,1,0|0,0,2]=4 1327 B9R0.7 [O-]C(=O)CCC(O)C([O-])=O Amb22055443 [0,1,0,0,1,0|0,0,2]=4 1328 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)[O-])O Amb17615400 [0,1,0,0,1,0|0,0,2]=4 1329 B9R0.7 [O-]C(=O)CC[C@H](C(=O)[O-])O Amb17615399 [0,1,0,0,1,0|0,0,2]=4 1330 B9R0.7 [O-][N+](=O)CC[C@H](C(=O)O)C Amb13883662 [0,1,0,0,1,0|1,0,1]=4 1331 B9R0.53 C=C(CC(O)=O)CC(O)=O Amb18644057 [0,1,0,0,1,0|0,0,1]=3 1332 B9R0.53 CC(=C)CC(C)CC(O)=O Amb18643943 [0,1,0,0,1,0|2,0,0]=4 1333 B9R0.53 CC(=O)CC(=O)CC(O)=O Amb18644062 [0,1,0,0,1,0|1,0,1]=4 1334 B9R0.53 CC(=O)CC(C)CC(O)=O Amb18644106 [0,1,0,0,1,0|1,0,0]=3 1335 B9R0.53 CC(=O)C[C@@H](CC(=O)O)C Amb10844399 [0,1,0,0,1,0|1,0,0]=3 1336 B9R0.53 CC(=O)OC(C)CC(O)=O Amb18644244 [0,1,0,0,1,0|2,0,0]=4 1337 B9R0.53 CC(=O)O[C@H](C)CC(O)=O Amb25062672 [0,1,0,0,1,0|2,0,0]=4 1338 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [0,1,0,0,1,0|0,0,2]=4 1339 B9R0.53 CC(CC(O)=O)CC(N)=O Amb19034796 [0,1,0,0,1,0|1,0,0]=3 1340 B9R0.53 CC(CC(O)=O)C[N+]([O-])=O Amb25142280 [0,1,0,0,1,0|1,0,1]=4 1341 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,1,0,0,1,0|1,0,0]=3 1342 B9R0.53 CN(O)CC(O)CC(O)=O Amb24611959 [0,1,0,0,1,0|2,0,0]=4 1343 B9R0.53 CS(=O)CC(N)CC(O)=O Amb25766509 [0,1,0,0,1,0|2,0,0]=4 1344 B9R0.53 CS(=O)C[C@@H](N)CC(O)=O Amb25321945 [0,1,0,0,1,0|2,0,0]=4 1345 B9R0.53 N=C(CC(O)=O)CC(O)=O Amb25703517 [0,1,0,0,1,0|0,0,1]=3 1346 B9R0.53 NC(=O)CC(O)CC(O)=O Amb25147276 [0,1,0,0,1,0|1,0,0]=3 1347 B9R0.53 NC(=O)CS(=O)CC(O)=O Amb19007093 [0,1,0,0,1,0|2,0,0]=4 1348 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,1,0,0,1,0|0,0,0]=2 1349 B9R0.53 OC(=O)C=C(Br)CC(O)=O Amb24573499 [0,1,0,0,1,0|0,0,2]=4 1350 B9R0.53 OC(=O)CC(Cl)CC(O)=O Amb18126464 [0,1,0,0,1,0|0,0,0]=2 1351 B9R0.53 OC(=O)CN(Br)CC(O)=O Amb25277216 [0,1,0,0,1,0|1,0,0]=3 1352 B9R0.53 OC(=O)CN(Cl)CC(O)=O Amb24482142 [0,1,0,0,1,0|1,0,0]=3 1353 B9R0.53 OC(=O)C[C@@H](NC(=O)C)C Amb2372568 [0,1,0,0,1,0|2,0,0]=4 1354 B9R0.53 OC(=O)C[C@H](NC(=O)C)C Amb2372567 [0,1,0,0,1,0|2,0,0]=4 1355 B9R0.53 OC(=O)\C=C(/Br)\CC(O)=O Amb25123824 [0,1,0,0,1,0|0,0,2]=4 1356 B9R0.53 OC(CC(=O)O)CC(=O)O Amb17615401 [0,1,0,0,1,0|0,0,0]=2 1357 B9R0.53 ON(CC(O)=O)CC(O)=O Amb25062474 [0,1,0,0,1,0|1,0,0]=3 1358 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb23453377 [0,1,0,0,1,0|1,0,0]=3 1359 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb24121533 [0,1,0,0,1,0|1,0,0]=3 1360 B9R0.56 CC(C)(O)CCCC(O)=O Amb24340189 [0,1,0,0,1,0|1,0,1]=4 1361 B9R0.56 CP(O)(=O)CCCC(O)=O Amb24524573 [0,1,0,0,1,0|1,0,0]=3 1362 B9R0.56 CP(O)(=O)CNCC(O)=O Amb25772534 [0,1,0,0,1,0|2,0,0]=4 1363 B9R0.56 OC(=O)CCCP(O)(O)=O Amb17671941 [0,1,0,0,1,0|1,0,0]=3 1364 B9R0.56 OC(=O)CCCS(=O)(=O)C Amb17503668 [0,1,0,0,1,0|1,0,1]=4 1365 B9R0.56 OC(=O)CCNS(O)(=O)=O Amb24479473 [0,1,0,0,1,0|2,0,0]=4 1366 B9R0.56 OC(=O)CCOP(O)(O)=O Amb24482464 [0,1,0,0,1,0|2,0,0]=4 1367 B9R0.56 OC(=O)CCOS(O)(=O)=O Amb24482181 [0,1,0,0,1,0|2,0,0]=4 1368 B9R0.56 OC(=O)CCSP(O)(O)=O Amb24482326 [0,1,0,0,1,0|2,0,0]=4 1369 B9R0.56 OC(=O)CNCP(O)(=O)=O Amb25282213 [0,1,0,0,1,0|2,0,0]=4 1370 B9R0.56 OC(=O)CNCP(O)(O)=O Amb21618824 [0,1,0,0,1,0|2,0,0]=4 1371 B9R0.56 OC(=O)CN[13CH2]P(O)(O)=O Amb22367405 [0,1,0,0,1,0|2,0,0]=4 1372 B9R0.56 O[13C](=O)[13CH2][15NH]CP(=O)(O)O Amb17614840 [0,1,0,0,1,0|2,0,0]=4 1373 B9R0.56 [O-]P(O)(=O)CSCC(O)=O Amb22453470 [0,1,0,0,1,0|2,0,0]=4 1374 B11R0.6 CC(=O)CC(=O)CCCC(O)=O Amb22347933 [0,1,0,0,0,1|1,0,0]=3 1375 B11R0.6 CC(C)=CCC[C@@H](C)CC(O)=O Amb22338417 [0,1,0,0,0,1|2,0,0]=4 1376 B11R0.6 CC(C)=CCC[C@H](C)CC(O)=O Amb22336425 [0,1,0,0,0,1|2,0,0]=4 1377 B11R0.29 CC(=N)NCCC[C@@H](N)C(O)=O Amb19132784 [0,1,0,0,0,1|2,0,0]=4 1378 B11R0.29 CC(=O)C(C)CCCCC(O)=O Amb20668227 [0,1,0,0,0,1|1,0,0]=3 1379 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22745261 [0,1,0,0,0,1|2,0,0]=4 1380 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22747127 [0,1,0,0,0,1|2,0,0]=4 1381 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb23438964 [0,1,0,0,0,1|2,0,0]=4 1382 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22231424 [0,1,0,0,0,1|2,0,0]=4 1383 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22349445 [0,1,0,0,0,1|2,0,0]=4 1384 B11R0.29 NC(=N)NCCCC(C(=O)O)N Amb1151252 [0,1,0,0,0,1|2,0,0]=4 1385 B11R0.29 NC(=N)NCCCC(N)C(O)=O Amb22349947 [0,1,0,0,0,1|2,0,0]=4 1386 B11R0.29 NC(=N)NCCCC(O)C(O)=O Amb22730085 [0,1,0,0,0,1|2,0,0]=4 1387 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745064 [0,1,0,0,0,1|2,0,0]=4 1388 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745189 [0,1,0,0,0,1|2,0,0]=4 1389 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745210 [0,1,0,0,0,1|2,0,0]=4 1390 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745478 [0,1,0,0,0,1|2,0,0]=4 1391 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745921 [0,1,0,0,0,1|2,0,0]=4 1392 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22748687 [0,1,0,0,0,1|2,0,0]=4 1393 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22801409 [0,1,0,0,0,1|2,0,0]=4 1394 B11R0.29 NC(=O)CCCNC(=O)C(O)=O Amb18795195 [0,1,0,0,0,1|1,0,1]=4 1395 B11R0.29 NC(=O)NCCCC(N)C([O-])=O Amb22330608 [0,1,0,0,0,1|1,0,1]=4 1396 B11R0.29 NC(=O)NCCC[C@@H](N)C(O)=O Amb22744872 [0,1,0,0,0,1|1,0,0]=3 1397 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)S Amb19930603 [0,1,0,0,0,1|1,1,0]=4 1398 B11R0.29 NC(=O)NCCC[C@H](N)C(O)=O Amb22169596 [0,1,0,0,0,1|1,0,0]=3 1399 B11R0.29 NC(=S)NCCCC(N)C(O)=O Amb22470953 [0,1,0,0,0,1|1,1,0]=4 1400 B11R0.29 NC(=S)NCCC[C@@H](N)C(O)=O Amb22799910 [0,1,0,0,0,1|1,1,0]=4 1401 B11R0.29 NC(CSCCC(O)=O)C(O)=O Amb22734793 [0,1,0,0,0,1|0,0,0]=2 1402 B11R0.29 NC(N)=NCCCC(N)C(O)=O Amb19866551 [0,1,0,0,0,1|2,0,0]=4 1403 B11R0.29 N[13C](=N)N[13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O Amb22337496 [0,1,0,0,0,1|2,0,0]=4 1404 B11R0.29 N[C@@H](CCCCB(O)O)C(O)=O Amb22747786 [0,1,0,0,0,1|1,0,1]=4 1405 B11R0.29 N[C@@H](CCCCC(O)=O)C(O)=O Amb22746360 [0,1,0,0,0,1|0,0,0]=2 1406 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O Amb17942890 [0,1,0,0,0,1|2,0,0]=4 1407 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O Amb17942891 [0,1,0,0,0,1|2,0,0]=4 1408 B11R0.29 OC(=O)CCCCC(C(=O)O)C Amb10844066 [0,1,0,0,0,1|0,0,0]=2 1409 B11R0.29 OC(=O)CCCSC(C(=O)O)C Amb17503620 [0,1,0,0,0,1|0,0,0]=2 1410 B11R0.29 OC(=O)CCSC[C@@H](C(=O)O)N Amb17610546 [0,1,0,0,0,1|0,0,0]=2 1411 B11R0.29 [15NH2]C(=[15NH])[15NH]CCC[C@H]([15NH2])C(O)=O Amb22353583 [0,1,0,0,0,1|2,0,0]=4 1412 B11R0.31 CS(=O)(=O)CCOCCC(O)=O Amb23453010 [0,1,0,0,0,1|1,0,1]=4 1413 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb16187108 [0,1,0,0,0,1|0,0,0]=2 1414 B11R0.85 CN(CCC(N)=O)CCC(N)=O Amb22008454 [0,1,0,0,0,1|2,0,0]=4 1415 B11R0.85 CN(CCC(O)=O)CCC(O)=O Amb24117217 [0,1,0,0,0,1|0,0,0]=2 1416 B11R0.85 NC(=O)CCS(=O)CCC(=O)N Amb11032423 [0,1,0,0,0,1|2,0,0]=4 1417 B11R0.85 OC(=O)CCC(=O)NCC(O)=O Amb17940408 [0,1,0,0,0,1|0,0,1]=3 1418 B11R0.111 COC(=O)CCCCCC(=O)O Amb13887311 [0,1,0,0,0,1|0,0,0]=2 1419 B11R0.111 COC(=O)CCCSCC(=S)N Amb17503398 [0,1,0,0,0,1|1,1,0]=4 1420 B11R0.114 COC(=O)CCCCP(O)(O)=O Amb22831923 [0,2,0,0,0,0|1,0,0]=3 1421 B11R0.199 OS(=O)(=O)CCCCS(O)(=O)=O Amb22233688 [0,2,0,0,0,0|2,0,0]=4 1422 B11R0.199 OS(=O)(=O)CCCCS(O)(=O)=O Amb22432566 [0,2,0,0,0,0|2,0,0]=4 1423 B11R0.318 NC(CCCP(O)(O)=O)C(O)=O Amb22352627 [0,2,0,0,0,0|1,0,0]=3 1424 B11R0.318 NC(CCCP(O)(O)=O)C([O-])=O Amb22264894 [0,2,0,0,0,0|1,0,1]=4 1425 B11R0.318 OC(=O)C(CCCP(=O)(O)O)N Amb17619388 [0,2,0,0,0,0|1,0,0]=3 1426 B11R0.93 COC(=O)CC(O)COC(C)=O Amb17778578 [0,2,0,0,0,0|2,0,0]=4 1427 B11R0.106 BrCC(=O)NCCCC(=O)OC Amb17330223 [0,2,0,0,0,0|2,0,0]=4 1428 B11R0.106 COC(=N)CCCCC(=N)OC Amb19951572 [0,2,0,0,0,0|2,0,0]=4 1429 B11R0.106 COC(=N)CCCCC(=N)OC Amb20247180 [0,2,0,0,0,0|2,0,0]=4 1430 B11R0.106 COC(=O)CCCCC(=O)OC Amb22336490 [0,2,0,0,0,0|0,0,0]=2 1431 B11R0.106 COC(=O)CCCCC(=O)OC Amb22338483 [0,2,0,0,0,0|0,0,0]=2 1432 B11R0.106 COC(=O)CCCCC(O)CN Amb23438806 [0,2,0,0,0,0|1,0,1]=4 1433 B11R0.106 COC(=O)CNNCC(=O)OC Amb19651359 [0,2,0,0,0,0|2,0,0]=4 1434 B11R0.106 COC(=O)CNNCC(=O)OC Amb21961490 [0,2,0,0,0,0|2,0,0]=4 1435 B11R0.106 COC(=O)C\C=C\CC(=O)OC Amb17613323 [0,2,0,0,0,0|0,0,2]=4 1436 B11R0.106 NNC(=O)CCCCC(=O)NN Amb1016573 [0,2,0,0,0,0|2,0,0]=4 1437 B11R0.107 COC(=O)CCC(=O)CC(=O)C Amb17334875 [0,2,0,0,0,0|1,0,1]=4 1438 B11R0.109 COC(=O)CCC[C@@H](C(=O)O)N Amb13884888 [0,2,0,0,0,0|0,0,0]=2 1439 B11R0.109 COC(=O)CCC[C@@H](N)C(O)=O Amb23437884 [0,2,0,0,0,0|0,0,0]=2 1440 B11R0.109 ONC(=N)NCC[C@@H](C(=O)O)N Amb17615646 [0,2,0,0,0,0|2,0,0]=4 1441 B11R0.176 CCOC(=O)CCCOC(=O)C Amb17613918 [0,2,0,0,0,0|2,0,0]=4 1442 B11R0.176 COCC(=O)NCCCC(=O)O Amb1119832 [0,2,0,0,0,0|1,0,0]=3 1443 B11R0.149 NC(CC(O)=O)C(N)CC(O)=O Amb24114097 [0,2,0,0,0,0|0,0,0]=2 1444 B11R0.173 OC(=O)CCN(C(C(=O)O)C)C Amb17561090 [0,2,0,0,0,0|1,0,0]=3 1445 B11R0.232 CC(C)(CC(O)=O)CCC(O)=O Amb22357103 [0,2,0,0,0,0|0,0,0]=2 1446 B11R0.232 OC(=O)CCS(=O)(=O)CC(=O)O Amb17501260 [0,2,0,0,0,0|1,0,0]=3 1447 B11R0.150 CC(CCC(=C)C(O)=O)C(O)=O Amb24065778 [0,2,0,0,0,0|0,0,1]=3 1448 B11R0.150 CC(CCC(C)C(O)=O)C(O)=O Amb18127177 [0,2,0,0,0,0|0,0,0]=2 1449 B11R0.150 CC(SSC(C)C(O)=O)C(O)=O Amb22731793 [0,2,0,0,0,0|2,0,0]=4 1450 B11R0.150 NC(=O)C(Br)CCC(Br)C(N)=O Amb24082357 [0,2,0,0,0,0|2,0,0]=4 1451 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb10602546 [0,2,0,0,0,0|0,0,0]=2 1452 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb17594468 [0,2,0,0,0,0|0,0,0]=2 1453 B11R0.150 NC(CNC(=O)C(O)=O)C(O)=O Amb18647934 [0,2,0,0,0,0|1,0,1]=4 1454 B11R0.150 N[C@H](C(=O)O)CC[C@H](C(=O)O)N Amb10603182 [0,2,0,0,0,0|0,0,0]=2 1455 B11R0.202 OC(=O)CCSC(C(=O)O)(C)C Amb17501236 [0,2,0,0,0,0|1,0,0]=3 1456 B9R1.2 C=CC1CCCC(=O)O1 Amb25687134 [1,0,0,1,0,0|1,0,0]=3 1457 B9R1.2 C=CC1CCNC(=O)O1 Amb25371962 [1,0,0,1,0,0|2,0,0]=4 1458 B9R1.2 O=C1CCCC(=C1)C=O Amb18642169 [1,0,0,1,0,0|1,0,1]=4 1459 B9R1.2 O=C1CCCC(CI)O1 Amb24675480 [1,0,0,1,0,0|1,0,1]=4 1460 B9R1.2 O=C1CCC[C@@H](CCl)O1 Amb24408738 [1,0,0,1,0,0|1,0,1]=4 1461 B9R1.2 O=C1CCC\C(=C\Br)\O1 Amb24519194 [1,0,0,1,0,0|1,0,1]=4 1462 B9R1.2 O=CC1CC(=O)CCC1 Amb18642402 [1,0,0,1,0,0|1,0,0]=3 1463 B9R1.2 O=CC1CC(=O)CCN1 Amb25116003 [1,0,0,1,0,0|2,0,0]=4 1464 B9R1.2 O=CC1CC(=O)CCO1 Amb25310449 [1,0,0,1,0,0|2,0,0]=4 1465 B9R1.2 O=CC1CC=CC(=O)O1 Amb18642367 [1,0,0,1,0,0|0,0,2]=4 1466 B9R1.2 O=C[C@@H]1CC(=O)CCO1 Amb24602543 [1,0,0,1,0,0|2,0,0]=4 1467 B9R1.2 O=C[C@H]1CC=CC(=O)O1 Amb25309566 [1,0,0,1,0,0|0,0,2]=4 1468 B9R1.2 OC1CC(CCC1)C=O Amb24456710 [1,0,0,1,0,0|1,0,1]=4 1469 B9R1.2 OC1CCCC(C=O)O1 Amb25063184 [1,0,0,1,0,0|0,0,2]=4 1470 B9R1.2 OCC1CCCC(=O)C1 Amb16231079 [1,0,0,1,0,0|1,0,1]=4 1471 B9R1.2 OCC1CCCC(=O)N1 Amb13886257 [1,0,0,1,0,0|1,0,1]=4 1472 B9R1.2 OCC1COCC(=O)O1 Amb25246215 [1,0,0,1,0,0|1,0,1]=4 1473 B9R1.2 OC[C@@H]1CC(=O)CCC1 Amb22748907 [1,0,0,1,0,0|1,0,1]=4 1474 B9R1.2 OC[C@@H]1CCCC(=O)N1 Amb22745829 [1,0,0,1,0,0|1,0,1]=4 1475 B9R1.2 OC[C@@H]1CCCC(=O)O1 Amb25045754 [1,0,0,1,0,0|0,0,1]=3 1476 B9R1.2 OC[C@H]1CCCC(=O)N1 Amb25187085 [1,0,0,1,0,0|1,0,1]=4 1477 B9R1.6 CC(=O)C1CCC=CO1 Amb24650635 [1,0,0,1,0,0|1,0,1]=4 1478 B9R1.6 CC(=O)C1CCCC=C1 Amb17593287 [1,0,0,1,0,0|2,0,0]=4 1479 B9R1.6 CC(=O)C1CCCCO1 Amb23585662 [1,0,0,1,0,0|1,0,1]=4 1480 B9R1.6 CC(=O)[C@H]1CCC=CO1 Amb25349063 [1,0,0,1,0,0|1,0,1]=4 1481 B9R1.6 CC(=O)[C@H]1CCCC=C1 Amb25683968 [1,0,0,1,0,0|2,0,0]=4 1482 B9R1.6 NC(=O)C1CCC=CO1 Amb24061614 [1,0,0,1,0,0|1,0,1]=4 1483 B9R1.6 NC(=O)C1CCCC=C1 Amb24623548 [1,0,0,1,0,0|2,0,0]=4 1484 B9R1.6 NC(=O)[C@H]1CCC=CO1 Amb25229284 [1,0,0,1,0,0|1,0,1]=4 1485 B9R1.6 O=C(Cl)C1CCC=CO1 Amb24636010 [1,0,0,1,0,0|1,0,1]=4 1486 B9R1.6 O=C(Cl)[C@H]1CCCCO1 Amb24478586 [1,0,0,1,0,0|1,0,1]=4 1487 B9R1.6 OC(=O)C1C=CCCN1 Amb25145978 [1,0,0,1,0,0|2,0,0]=4 1488 B9R1.6 OC(=O)C1CC=NCC1 Amb24340500 [1,0,0,1,0,0|2,0,0]=4 1489 B9R1.6 OC(=O)C1CCC=CN1 Amb24640071 [1,0,0,1,0,0|1,0,1]=4 1490 B9R1.6 OC(=O)C1CCC=CO1 Amb10071565 [1,0,0,1,0,0|0,0,1]=3 1491 B9R1.6 OC(=O)C1CCCC=C1 Amb18642396 [1,0,0,1,0,0|1,0,0]=3 1492 B9R1.6 OC(=O)C1CCCC=N1 Amb24346763 [1,0,0,1,0,0|1,0,0]=3 1493 B9R1.6 OC(=O)C1CCCCS1 Amb18202314 [1,0,0,1,0,0|0,1,1]=4 1494 B9R1.6 OC(=O)C1CCCNC1 Amb1151304 [1,0,0,1,0,0|2,0,0]=4 1495 B9R1.6 OC(=O)C1CCCNO1 Amb24672392 [1,0,0,1,0,0|1,0,0]=3 1496 B9R1.6 OC(=O)C1CCCOC1 Amb1102367 [1,0,0,1,0,0|2,0,0]=4 1497 B9R1.6 OC(=O)C1CCCSS1 Amb24480090 [1,0,0,1,0,0|1,1,0]=4 1498 B9R1.6 OC(=O)C1CNCC=C1 Amb18642497 [1,0,0,1,0,0|2,0,0]=4 1499 B9R1.6 OC(=O)C1CNCCO1 Amb16232076 [1,0,0,1,0,0|1,0,1]=4 1500 B9R1.6 OC(=O)C1CSCCC1 Amb18202321 [1,0,0,1,0,0|2,0,0]=4 1501 B9R1.6 OC(=O)C1CSCCO1 Amb25241709 [1,0,0,1,0,0|1,0,1]=4 1502 B9R1.6 OC(=O)C1OCCCO1 Amb24715581 [1,0,0,1,0,0|1,0,1]=4 1503 B9R1.6 OC(=O)[C@@H]1CC=CCC1 Amb19131346 [1,0,0,1,0,0|1,0,1]=4 1504 B9R1.6 OC(=O)[C@@H]1CCC=CC1 Amb17611453 [1,0,0,1,0,0|1,0,1]=4 1505 B9R1.6 OC(=O)[C@@H]1CCC=CN1 Amb19888332 [1,0,0,1,0,0|1,0,1]=4 1506 B9R1.6 OC(=O)[C@@H]1CCCC=N1 Amb25349486 [1,0,0,1,0,0|1,0,0]=3 1507 B9R1.6 OC(=O)[C@@H]1CCCCO1 Amb22746821 [1,0,0,1,0,0|0,0,1]=3 1508 B9R1.6 OC(=O)[C@@H]1CCCNC1 Amb16232354 [1,0,0,1,0,0|2,0,0]=4 1509 B9R1.6 OC(=O)[C@@H]1CCCNN1 Amb22747164 [1,0,0,1,0,0|2,0,0]=4 1510 B9R1.6 OC(=O)[C@@H]1CNCCO1 Amb22737231 [1,0,0,1,0,0|1,0,1]=4 1511 B9R1.6 OC(=O)[C@@H]1COCCC1 Amb24118033 [1,0,0,1,0,0|2,0,0]=4 1512 B9R1.6 OC(=O)[C@@H]1COCCO1 Amb23438856 [1,0,0,1,0,0|1,0,1]=4 1513 B9R1.6 OC(=O)[C@H]1CNCC=C1 Amb24445539 [1,0,0,1,0,0|2,0,0]=4 1514 B9R1.6 OC(=O)[C@H]1CNCCO1 Amb10067023 [1,0,0,1,0,0|1,0,1]=4 1515 B9R1.6 OC(=O)[C@H]1CNCCO1 Amb22737232 [1,0,0,1,0,0|1,0,1]=4 1516 B9R1.6 O[13C](=O)C1CCCCN1 Amb22363349 [1,0,0,1,0,0|1,0,1]=4 1517 B9R1.6 [O-]C(=O)C1CCC=CO1 Amb22002689 [1,0,0,1,0,0|0,0,2]=4 1518 B9R1.7 C=CCC1CCC(=O)N1 Amb25090368 [1,0,0,1,0,0|2,0,0]=4 1519 B9R1.7 C=CC[C@@H]1CC(=O)CC1 Amb25358940 [1,0,0,1,0,0|2,0,0]=4 1520 B9R1.7 C=CC[C@H]1CC(=O)CC1 Amb24613923 [1,0,0,1,0,0|2,0,0]=4 1521 B9R1.7 N#CCC1CCC(=O)O1 Amb25270224 [1,0,0,1,0,0|1,0,1]=4 1522 B9R1.7 NCCC1CCC(=O)O1 Amb25146052 [1,0,0,1,0,0|1,0,1]=4 1523 B9R1.7 O=C1CCC(CCCl)O1 Amb24459566 [1,0,0,1,0,0|1,0,1]=4 1524 B9R1.7 O=CCC1CC(=O)CC1 Amb18642410 [1,0,0,1,0,0|1,0,0]=3 1525 B9R1.7 O=CCC1COC(=O)C1 Amb24633507 [1,0,0,1,0,0|2,0,0]=4 1526 B9R1.7 O=CCC1COC(=O)N1 Amb18642692 [1,0,0,1,0,0|2,0,0]=4 1527 B9R1.7 O=CC[C@@H]1COC(=O)N1 Amb24524150 [1,0,0,1,0,0|2,0,0]=4 1528 B9R1.7 OC1CC(CC1)CC=O Amb24646684 [1,0,0,1,0,0|1,0,1]=4 1529 B9R1.7 OCCC1CC(=O)CC1 Amb24467811 [1,0,0,1,0,0|1,0,1]=4 1530 B9R1.7 OCCC1CCC(=O)O1 Amb25188957 [1,0,0,1,0,0|0,0,1]=3 1531 B9R1.7 OCCC1CNC(=O)O1 Amb24604919 [1,0,0,1,0,0|1,0,1]=4 1532 B9R1.7 OCC[C@@H]1CC(=O)CC1 Amb24750224 [1,0,0,1,0,0|1,0,1]=4 1533 B9R1.7 OCC[C@@H]1CCC(=O)N1 Amb24761403 [1,0,0,1,0,0|1,0,1]=4 1534 B9R1.7 OCC[C@@H]1CNC(=O)O1 Amb25340109 [1,0,0,1,0,0|1,0,1]=4 1535 B9R1.7 OCC[C@H]1CCC(=O)O1 Amb24397212 [1,0,0,1,0,0|0,0,1]=3 1536 B9R1.9 C=CCCC1CC(=O)C1 Amb24588920 [1,0,0,1,0,0|2,0,0]=4 1537 B9R1.9 C=CCCC1CC(=O)N1 Amb24524165 [1,0,0,1,0,0|2,0,0]=4 1538 B9R1.9 CCCCC1CC(=O)O1 Amb25202242 [1,0,0,1,0,0|1,0,1]=4 1539 B9R1.9 O=C\C=C\C1CC(=O)O1 Amb24432226 [1,0,0,1,0,0|0,0,2]=4 1540 B9R1.13 CC(=O)CC1CCCO1 Amb13952621 [1,0,0,1,0,0|1,0,1]=4 1541 B9R1.13 CC(=O)C[C@@H]1CCC=C1 Amb25358818 [1,0,0,1,0,0|2,0,0]=4 1542 B9R1.13 CC(=O)C[C@H]1CCC=C1 Amb24380779 [1,0,0,1,0,0|2,0,0]=4 1543 B9R1.13 CC(=O)C[C@H]1CCCO1 Amb24752778 [1,0,0,1,0,0|1,0,1]=4 1544 B9R1.13 NC(=O)CC1CCC=C1 Amb16233726 [1,0,0,1,0,0|2,0,0]=4 1545 B9R1.13 O=C(Cl)CC1CCC=C1 Amb24754210 [1,0,0,1,0,0|2,0,0]=4 1546 B9R1.13 OC(=O)CC1CC=CC1 Amb25673915 [1,0,0,1,0,0|1,0,1]=4 1547 B9R1.13 OC(=O)CC1CCCC1 Amb16192937 [1,0,0,1,0,0|1,0,1]=4 1548 B9R1.13 OC(=O)CC1CCCN1 Amb20668514 [1,0,0,1,0,0|1,0,1]=4 1549 B9R1.13 OC(=O)CC1CCCO1 Amb1088908 [1,0,0,1,0,0|0,0,1]=3 1550 B9R1.13 OC(=O)CC1CCCS1 Amb18644290 [1,0,0,1,0,0|0,1,1]=4 1551 B9R1.13 OC(=O)CC1CCNO1 Amb25261098 [1,0,0,1,0,0|1,0,0]=3 1552 B9R1.13 OC(=O)CC1CSCC1 Amb18202318 [1,0,0,1,0,0|2,0,0]=4 1553 B9R1.13 OC(=O)CC1OCCO1 Amb22740193 [1,0,0,1,0,0|1,0,1]=4 1554 B9R1.13 OC(=O)C[C@@H]1CCCN1 Amb13891876 [1,0,0,1,0,0|1,0,1]=4 1555 B9R1.13 OC(=O)C[C@@H]1CCCO1 Amb24271115 [1,0,0,1,0,0|0,0,1]=3 1556 B9R1.13 OC(=O)C[C@@H]1COCC1 Amb23401495 [1,0,0,1,0,0|2,0,0]=4 1557 B9R1.13 OC(=O)C[C@H]1CCC=C1 Amb25378723 [1,0,0,1,0,0|1,0,0]=3 1558 B9R1.13 OC(=O)C[C@H]1CCCN1 Amb16184011 [1,0,0,1,0,0|1,0,1]=4 1559 B9R1.13 OC(=O)C[C@H]1CCCO1 Amb24271109 [1,0,0,1,0,0|0,0,1]=3 1560 B9R1.13 OC(=O)C[C@H]1CNCC1 Amb10067024 [1,0,0,1,0,0|2,0,0]=4 1561 B9R1.24 CC1(O)CCCC1C=O Amb25723323 [1,0,0,1,0,0|1,0,1]=4 1562 B9R1.24 C[C@]1(O)CCC[C@H]1C=O Amb25326489 [1,0,0,1,0,0|1,0,1]=4 1563 B9R1.40 C[C@@]1(O)CCCCC1=O Amb25059602 [1,0,0,1,0,0|1,0,1]=4 1564 B9R1.41 C=C1CCCC1C(O)=O Amb18642417 [1,0,0,1,0,0|1,0,0]=3 1565 B9R1.41 CC(=C)C1CCCC1=O Amb25032164 [1,0,0,1,0,0|2,0,0]=4 1566 B9R1.41 CC(=N)C1CCCC1=O Amb25728897 [1,0,0,1,0,0|2,0,0]=4 1567 B9R1.41 CC(=O)C1CCCC1=S Amb24646456 [1,0,0,1,0,0|1,1,0]=4 1568 B9R1.41 CC(=O)C1CCCC1O Amb25086736 [1,0,0,1,0,0|1,0,1]=4 1569 B9R1.41 CC(=O)C1CCOC1=O Amb2404781 [1,0,0,1,0,0|2,0,0]=4 1570 B9R1.41 CC(=O)C1CCSC1=O Amb24340323 [1,0,0,1,0,0|2,0,0]=4 1571 B9R1.41 CC(=O)[C@H]1CCC[C@@H]1O Amb24512739 [1,0,0,1,0,0|1,0,1]=4 1572 B9R1.41 CN1CCC[C@@H]1C(O)=O Amb17935722 [1,0,0,1,0,0|2,0,0]=4 1573 B9R1.41 CN1CCC[C@@H]1C(O)=O Amb18559228 [1,0,0,1,0,0|2,0,0]=4 1574 B9R1.41 CN1CCC[C@@H]1C(O)=O Amb22748316 [1,0,0,1,0,0|2,0,0]=4 1575 B9R1.41 CN1CCC[C@H]1C(=O)O Amb10604041 [1,0,0,1,0,0|2,0,0]=4 1576 B9R1.41 CN1CCC[C@H]1C(O)=O Amb22587172 [1,0,0,1,0,0|2,0,0]=4 1577 B9R1.41 CS(=O)C1CCCC1=O Amb24357722 [1,0,0,1,0,0|2,0,0]=4 1578 B9R1.41 C[C@@H](O)[C@H]1CCCC1=O Amb25313194 [1,0,0,1,0,0|1,0,1]=4 1579 B9R1.41 C[C@@H]1CCC[C@@H]1C(=O)O Amb10843957 [1,0,0,1,0,0|1,0,1]=4 1580 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O Amb10843949 [1,0,0,1,0,0|1,0,1]=4 1581 B9R1.41 C[C@H](O)[C@H]1CCCC1=O Amb24512738 [1,0,0,1,0,0|1,0,1]=4 1582 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O Amb10843959 [1,0,0,1,0,0|1,0,1]=4 1583 B9R1.41 C[C@H]1CCC[C@H]1C(=O)O Amb10843950 [1,0,0,1,0,0|1,0,1]=4 1584 B9R1.41 C[S+]1CCCC1C(O)=O Amb24634112 [1,0,0,1,0,0|2,0,0]=4 1585 B9R1.41 NC(=O)C1CCCC1=O Amb16233729 [1,0,0,1,0,0|1,0,0]=3 1586 B9R1.41 NC(=O)C1CCCC1O Amb25310986 [1,0,0,1,0,0|1,0,1]=4 1587 B9R1.41 NC(=O)C1CCNC1=O Amb24581573 [1,0,0,1,0,0|2,0,0]=4 1588 B9R1.41 NC(=O)C1CCOC1=O Amb24575255 [1,0,0,1,0,0|2,0,0]=4 1589 B9R1.41 NC(=O)N1CCCC1=O Amb16210586 [1,0,0,1,0,0|2,0,0]=4 1590 B9R1.41 NC(=O)[C@@H]1CCCC1=O Amb24182045 [1,0,0,1,0,0|1,0,0]=3 1591 B9R1.41 NC(=O)[C@@H]1CCCN1O Amb24476639 [1,0,0,1,0,0|2,0,0]=4 1592 B9R1.41 NC(=O)[C@@H]1CCC[C@H]1O Amb24120348 [1,0,0,1,0,0|1,0,1]=4 1593 B9R1.41 NC(=O)[C@H]1CCC[C@@H]1O Amb24514485 [1,0,0,1,0,0|1,0,1]=4 1594 B9R1.41 NC=1CCCC1C(O)=O Amb20240586 [1,0,0,1,0,0|1,0,1]=4 1595 B9R1.41 NN1CCCC1C(O)=O Amb18642792 [1,0,0,1,0,0|2,0,0]=4 1596 B9R1.41 NN1CCC[C@@H]1C(=O)O Amb10069459 [1,0,0,1,0,0|2,0,0]=4 1597 B9R1.41 N[C@@H]1CCC[C@H]1C(O)=O Amb20241297 [1,0,0,1,0,0|1,0,1]=4 1598 B9R1.41 N[C@@H]1CCC[C@H]1C(O)=O Amb22224830 [1,0,0,1,0,0|1,0,1]=4 1599 B9R1.41 N[C@H]1CCC[C@@H]1C(O)=O Amb20241298 [1,0,0,1,0,0|1,0,1]=4 1600 B9R1.41 N[C@H]1CCC[C@@H]1C(O)=O Amb22224860 [1,0,0,1,0,0|1,0,1]=4 1601 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Amb1993719 [1,0,0,1,0,0|1,0,1]=4 1602 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Amb1993764 [1,0,0,1,0,0|1,0,1]=4 1603 B9R1.41 O=C1CCCC1C(=O)Cl Amb21961757 [1,0,0,1,0,0|1,0,0]=3 1604 B9R1.41 O=C1OCCC1C(=O)Cl Amb24078751 [1,0,0,1,0,0|2,0,0]=4 1605 B9R1.41 OC(=O)C1CCCC1=O Amb18642571 [1,0,0,1,0,0|0,0,0]=2 1606 B9R1.41 OC(=O)C1CCCC1=S Amb25273371 [1,0,0,1,0,0|0,1,0]=3 1607 B9R1.41 OC(=O)C1CCCC1Br Amb24480063 [1,0,0,1,0,0|1,0,1]=4 1608 B9R1.41 OC(=O)C1CCCC1S Amb18280971 [1,0,0,1,0,0|0,1,1]=4 1609 B9R1.41 OC(=O)C1CCCN1Cl Amb25291925 [1,0,0,1,0,0|2,0,0]=4 1610 B9R1.41 OC(=O)C1CCNC1=O Amb18642691 [1,0,0,1,0,0|1,0,0]=3 1611 B9R1.41 OC(=O)C1CCOC1=O Amb17593365 [1,0,0,1,0,0|1,0,0]=3 1612 B9R1.41 OC(=O)C1CSCC1=O Amb16230660 [1,0,0,1,0,0|1,0,0]=3 1613 B9R1.41 OC(=O)C1CSNC1=O Amb25234069 [1,0,0,1,0,0|2,0,0]=4 1614 B9R1.41 OC(=O)C1NCCC1=S Amb25147125 [1,0,0,1,0,0|1,1,0]=4 1615 B9R1.41 OC(=O)C=1CCCC1Br Amb24424181 [1,0,0,1,0,0|1,0,1]=4 1616 B9R1.41 OC(=O)[C@@H]1CCCN1Br Amb24480123 [1,0,0,1,0,0|2,0,0]=4 1617 B9R1.41 OC(=O)[C@@H]1CSCC1=O Amb24182054 [1,0,0,1,0,0|1,0,0]=3 1618 B9R1.41 OC(=O)[C@H]1CCCN1F Amb24534439 [1,0,0,1,0,0|2,0,0]=4 1619 B9R1.41 OC(=O)[C@H]1CCC[C@@H]1Br Amb25251282 [1,0,0,1,0,0|1,0,1]=4 1620 B9R1.41 OC(=O)[C@H]1CCC[C@H]1Br Amb24693868 [1,0,0,1,0,0|1,0,1]=4 1621 B9R1.41 OC1CCCC1C(=O)Cl Amb24524192 [1,0,0,1,0,0|1,0,1]=4 1622 B9R1.41 OC1CCCC1C(O)=O Amb19148040 [1,0,0,1,0,0|0,0,1]=3 1623 B9R1.41 OC1CCNC1C(O)=O Amb22387784 [1,0,0,1,0,0|1,0,1]=4 1624 B9R1.41 OC1CCN[C@@H]1C(=O)O Amb10604192 [1,0,0,1,0,0|1,0,1]=4 1625 B9R1.41 OC1CCN[C@H]1C(O)=O Amb24359065 [1,0,0,1,0,0|1,0,1]=4 1626 B9R1.41 OC1CCSC1C(O)=O Amb24061424 [1,0,0,1,0,0|1,0,1]=4 1627 B9R1.41 OC1CNCC1C(O)=O Amb22886381 [1,0,0,1,0,0|1,0,1]=4 1628 B9R1.41 OC1CSCC1C(O)=O Amb18831363 [1,0,0,1,0,0|1,0,1]=4 1629 B9R1.41 OC=1CCCC1C(O)=O Amb25697344 [1,0,0,1,0,0|0,0,1]=3 1630 B9R1.41 O[C@@H]1CCC[C@@H]1C(O)=O Amb22747315 [1,0,0,1,0,0|0,0,1]=3 1631 B9R1.41 O[C@@H]1CCC[C@H]1C(O)=O Amb24120349 [1,0,0,1,0,0|0,0,1]=3 1632 B9R1.41 O[C@@H]1CCN[C@@H]1C(O)=O Amb22746928 [1,0,0,1,0,0|1,0,1]=4 1633 B9R1.41 O[C@@H]1CCN[C@@H]1C(O)=O Amb23439285 [1,0,0,1,0,0|1,0,1]=4 1634 B9R1.41 O[C@@H]1CCN[C@@H]1C(O)=O Amb24183503 [1,0,0,1,0,0|1,0,1]=4 1635 B9R1.41 O[C@@H]1CCN[C@H]1C(O)=O Amb22746713 [1,0,0,1,0,0|1,0,1]=4 1636 B9R1.41 O[C@@H]1CCN[C@H]1C(O)=O Amb24183557 [1,0,0,1,0,0|1,0,1]=4 1637 B9R1.41 O[C@@H]1CNC[C@H]1C(O)=O Amb24120417 [1,0,0,1,0,0|1,0,1]=4 1638 B9R1.41 O[C@H]1CCC[C@H]1C(=O)O Amb10844853 [1,0,0,1,0,0|0,0,1]=3 1639 B9R1.41 O[C@H]1CCN[C@@H]1C(O)=O Amb24055327 [1,0,0,1,0,0|1,0,1]=4 1640 B9R1.41 O[C@H]1CCN[C@H]1C(O)=O Amb22230426 [1,0,0,1,0,0|1,0,1]=4 1641 B9R1.41 O[C@H]1CNC[C@H]1C(O)=O Amb22274552 [1,0,0,1,0,0|1,0,1]=4 1642 B9R1.41 [O-][N+](=O)C1CCCC1=O Amb18832578 [1,0,0,1,0,0|1,0,1]=4 1643 B9R1.46 C=C1CC1NCC(O)=O Amb24402024 [1,0,0,1,0,0|2,0,0]=4 1644 B9R1.48 CC1=CC(=O)CCCC1 Amb17593284 [1,0,0,1,0,0|2,0,0]=4 1645 B9R1.48 NC=1CCCCC(=O)C1 Amb25146097 [1,0,0,1,0,0|2,0,0]=4 1646 B9R1.48 O=C1CC(=O)NCCC1 Amb18832700 [1,0,0,1,0,0|2,0,0]=4 1647 B9R1.48 O=C1CCCCC(=O)C1 Amb10603368 [1,0,0,1,0,0|1,0,0]=3 1648 B9R1.48 O=C1CCCCC(=S)N1 Amb24374795 [1,0,0,1,0,0|1,1,0]=4 1649 B9R1.48 O=C1CCCCC(Cl)=C1 Amb24357156 [1,0,0,1,0,0|2,0,0]=4 1650 B9R1.48 O=C1CCCNC(=O)N1 Amb25146000 [1,0,0,1,0,0|2,0,0]=4 1651 B9R1.48 O=C1COCNC(=O)O1 Amb24476953 [1,0,0,1,0,0|2,0,0]=4 1652 B9R1.48 O=C1CSSCC(=O)O1 Amb25283167 [1,0,0,1,0,0|2,0,0]=4 1653 B9R1.48 OC1CCCCC(=O)N1 Amb24477685 [1,0,0,1,0,0|1,0,1]=4 1654 B9R1.48 O[C@@H]1CCCCC(=O)O1 Amb25296333 [1,0,0,1,0,0|0,0,1]=3 1655 B9R1.48 O[C@H]1CCCCC(=O)O1 Amb24529319 [1,0,0,1,0,0|0,0,1]=3 1656 B9R1.50 O=C1CC=CCCCC1 Amb25767841 [1,0,0,1,0,0|2,0,0]=4 1657 B9R1.50 O=C1CCCCC=CN1 Amb24477747 [1,0,0,1,0,0|2,0,0]=4 1658 B9R1.59 CCCC1CC1C(O)=O Amb19001459 [1,0,0,1,0,0|1,0,1]=4 1659 B9R1.59 CCC[C@@H]1C[C@H]1C(O)=O Amb25368727 [1,0,0,1,0,0|1,0,1]=4 1660 B9R1.59 CNC[C@@H]1C[C@H]1C(O)=O Amb24744378 [1,0,0,1,0,0|2,0,0]=4 1661 B9R1.59 OC(=O)[C@@H]1C[C@H]1CCBr Amb24519204 [1,0,0,1,0,0|1,0,1]=4 1662 B9R1.59 OC(=O)[C@@H]1C[C@H]1\C=C\Cl Amb25260396 [1,0,0,1,0,0|1,0,1]=4 1663 B9R1.67 CC(=O)CC1CCC1=O Amb24434546 [1,0,0,1,0,0|1,0,0]=3 1664 B9R1.67 CC(=O)CN1CCC1=O Amb24566627 [1,0,0,1,0,0|2,0,0]=4 1665 B9R1.67 CC(=O)NC1CCC1=O Amb22896798 [1,0,0,1,0,0|2,0,0]=4 1666 B9R1.67 CC1CCC1CC(O)=O Amb24466547 [1,0,0,1,0,0|1,0,1]=4 1667 B9R1.67 N[C@H]1CC[C@@H]1CC(O)=O Amb24700074 [1,0,0,1,0,0|1,0,1]=4 1668 B9R1.67 OC(=O)CN1CCC1=O Amb25368422 [1,0,0,1,0,0|1,0,0]=3 1669 B9R1.83 O=CCCCCC1CO1 Amb24469270 [1,0,0,1,0,0|1,0,1]=4 1670 B9R1.85 OC(=O)CCCC1CC1 Amb18832629 [1,0,0,1,0,0|1,0,1]=4 1671 B9R1.85 OC(=O)CCC[C@H]1CO1 Amb24427275 [1,0,0,1,0,0|0,0,1]=3 1672 B9R1.86 C=CC1OC1CC(O)=O Amb25701827 [1,0,0,1,0,0|2,0,0]=4 1673 B9R1.86 C=C[C@H]1O[C@@H]1CC(O)=O Amb25217275 [1,0,0,1,0,0|2,0,0]=4 1674 B9R1.86 OC(=O)CC1CC1CBr Amb25269489 [1,0,0,1,0,0|1,0,1]=4 1675 B9R1.86 OC(=O)CN1CC1C=O Amb24078335 [1,0,0,1,0,0|1,0,0]=3 1676 B9R1.96 CCC1CCC1C(O)=O Amb25727014 [1,0,0,1,0,0|1,0,1]=4 1677 B9R1.96 CNC1CCC1C(O)=O Amb25340658 [1,0,0,1,0,0|2,0,0]=4 1678 B9R1.96 CSC1CCC1C(O)=O Amb25118114 [1,0,0,1,0,0|2,0,0]=4 1679 B9R1.96 NCC1CCC1C(O)=O Amb25269589 [1,0,0,1,0,0|1,0,1]=4 1680 B9R1.96 NC[C@H]1CC[C@H]1C(O)=O Amb24579352 [1,0,0,1,0,0|1,0,1]=4 1681 B9R1.96 O=NN1CC[C@H]1C(=O)O Amb17618565 [1,0,0,1,0,0|2,0,0]=4 1682 B9R1.96 OC(=O)C1CCC1C=O Amb25302625 [1,0,0,1,0,0|0,0,0]=2 1683 B9R1.96 OC(=O)C1CCC1CF Amb20667674 [1,0,0,1,0,0|1,0,1]=4 1684 B9R1.96 OC(=O)C1CCN1N=O Amb24726882 [1,0,0,1,0,0|2,0,0]=4 1685 B9R1.96 OC(=O)[C@H]1CCN1N=O Amb24340220 [1,0,0,1,0,0|2,0,0]=4 1686 B9R1.96 OCC1CCC1C(O)=O Amb24340315 [1,0,0,1,0,0|0,0,1]=3 1687 B9R1.96 OCC1CCN1C(O)=O Amb22756926 [1,0,0,1,0,0|1,0,1]=4 1688 B9R1.96 ONC1CCC1C(O)=O Amb24471809 [1,0,0,1,0,0|1,0,0]=3 1689 B9R1.96 [O-]C(=O)[C@H]1CC[C@H]1CO Amb25176734 [1,0,0,1,0,0|0,0,2]=4 1690 B9R1.35 CC(=O)C1CC(=O)CC1 Amb24423910 [0,0,0,1,1,0|2,0,0]=4 1691 B9R1.35 CC(=O)C1CCC(=O)N1 Amb24432249 [0,0,0,1,1,0|2,0,0]=4 1692 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [0,0,0,1,1,0|1,0,0]=3 1693 B9R1.35 CC(=O)[C@H]1CC(=O)CC1 Amb24407171 [0,0,0,1,1,0|2,0,0]=4 1694 B9R1.35 CC(=O)[C@H]1CCC(=O)O1 Amb24524212 [0,0,0,1,1,0|1,0,0]=3 1695 B9R1.35 CC1CCC(O1)C(=O)O Amb17593370 [0,0,0,1,1,0|1,0,1]=4 1696 B9R1.35 CC=1CCC(N1)C(O)=O Amb23438203 [0,0,0,1,1,0|2,0,0]=4 1697 B9R1.35 CC=1CCC([NH+]1)C(O)=O Amb22372048 [0,0,0,1,1,0|2,0,0]=4 1698 B9R1.35 C[C@@H]1CC[C@@H](O1)C(O)=O Amb22886534 [0,0,0,1,1,0|1,0,1]=4 1699 B9R1.35 C[C@H](O)[C@@H]1CCC(=O)O1 Amb25240058 [0,0,0,1,1,0|1,0,1]=4 1700 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 Amb25236263 [0,0,0,1,1,0|1,0,1]=4 1701 B9R1.35 C[C@H]1CC[C@H](O1)C(O)=O Amb24651587 [0,0,0,1,1,0|1,0,1]=4 1702 B9R1.35 N=C1CCC(N1)C(O)=O Amb18642592 [0,0,0,1,1,0|2,0,0]=4 1703 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [0,0,0,1,1,0|1,0,0]=3 1704 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [0,0,0,1,1,0|1,0,0]=3 1705 B9R1.35 NC(=S)[C@@H]1CCC(=O)O1 Amb25146031 [0,0,0,1,1,0|1,1,0]=4 1706 B9R1.35 NC=1CC[C@H](N1)C(O)=O Amb25346757 [0,0,0,1,1,0|2,0,0]=4 1707 B9R1.35 O=C1CCC(=C1)C(=O)O Amb13883804 [0,0,0,1,1,0|1,0,1]=4 1708 B9R1.35 O=C1CCC(C1)C(=O)Cl Amb25282784 [0,0,0,1,1,0|2,0,0]=4 1709 B9R1.35 O=C1CCC(N1)C(=O)Cl Amb17142869 [0,0,0,1,1,0|2,0,0]=4 1710 B9R1.35 O=C1CCC(N1)C(=O)N Amb17142856 [0,0,0,1,1,0|2,0,0]=4 1711 B9R1.35 O=C1CCC(O1)C(=O)Cl Amb24648754 [0,0,0,1,1,0|1,0,0]=3 1712 B9R1.35 O=C1CC[C@@H](N1)C(=O)Cl Amb24746659 [0,0,0,1,1,0|2,0,0]=4 1713 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl Amb22747149 [0,0,0,1,1,0|1,0,0]=3 1714 B9R1.35 O=C1CC[C@H](N1)C(=O)O Amb1995036 [0,0,0,1,1,0|1,0,0]=3 1715 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl Amb22388653 [0,0,0,1,1,0|1,0,0]=3 1716 B9R1.35 O=C1CSC(O1)C(=O)Cl Amb25724287 [0,0,0,1,1,0|2,0,0]=4 1717 B9R1.35 O=C1NCC(C1)C(=O)O Amb1129202 [0,0,0,1,1,0|2,0,0]=4 1718 B9R1.35 O=C1OCC(N1)C(=O)O Amb15701690 [0,0,0,1,1,0|2,0,0]=4 1719 B9R1.35 O=C1SCC(C1)C(=O)O Amb10073724 [0,0,0,1,1,0|2,0,0]=4 1720 B9R1.35 O=C1SC[C@H](N1)C(=O)O Amb1157856 [0,0,0,1,1,0|2,0,0]=4 1721 B9R1.35 OC(=O)C1CC(=O)CS1 Amb24061425 [0,0,0,1,1,0|2,0,0]=4 1722 B9R1.35 OC(=O)C1CC(=O)OC1 Amb22642307 [0,0,0,1,1,0|2,0,0]=4 1723 B9R1.35 OC(=O)C1CC=C(Br)O1 Amb25251659 [0,0,0,1,1,0|1,0,1]=4 1724 B9R1.35 OC(=O)C1CCC(=O)N1 Amb22282321 [0,0,0,1,1,0|1,0,0]=3 1725 B9R1.35 OC(=O)C1CCC(=O)O1 Amb20623076 [0,0,0,1,1,0|0,0,0]=2 1726 B9R1.35 OC(=O)C1CCC(=O)S1 Amb23439315 [0,0,0,1,1,0|0,1,0]=3 1727 B9R1.35 OC(=O)C1CCC(=S)N1 Amb24477679 [0,0,0,1,1,0|1,1,0]=4 1728 B9R1.35 OC(=O)C1CNC(=O)O1 Amb24112958 [0,0,0,1,1,0|1,0,0]=3 1729 B9R1.35 OC(=O)C1CNC(=O)S1 Amb24084914 [0,0,0,1,1,0|1,1,0]=4 1730 B9R1.35 OC(=O)C1COC(=O)N1 Amb24288785 [0,0,0,1,1,0|2,0,0]=4 1731 B9R1.35 OC(=O)C1COC(=O)O1 Amb25767974 [0,0,0,1,1,0|1,0,0]=3 1732 B9R1.35 OC(=O)C1CSC(=O)S1 Amb23504458 [0,0,0,1,1,0|1,1,0]=4 1733 B9R1.35 OC(=O)C1OC(=O)CS1 Amb25063335 [0,0,0,1,1,0|1,0,0]=3 1734 B9R1.35 OC(=O)[C@@H]1CC(=O)CC1 Amb22746923 [0,0,0,1,1,0|1,0,0]=3 1735 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb19516117 [0,0,0,1,1,0|2,0,0]=4 1736 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb22747440 [0,0,0,1,1,0|2,0,0]=4 1737 B9R1.35 OC(=O)[C@@H]1CC(=O)NC1 Amb23439643 [0,0,0,1,1,0|2,0,0]=4 1738 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 Amb24099403 [0,0,0,1,1,0|1,0,0]=3 1739 B9R1.35 OC(=O)[C@@H]1CNC(=O)O1 Amb25146207 [0,0,0,1,1,0|1,0,0]=3 1740 B9R1.35 OC(=O)[C@@H]1COC(=O)N1 Amb19517080 [0,0,0,1,1,0|2,0,0]=4 1741 B9R1.35 OC(=O)[C@H]1CC(=O)CN1 Amb25360885 [0,0,0,1,1,0|2,0,0]=4 1742 B9R1.35 OC(=O)[C@H]1CNC(=O)N1 Amb24079612 [0,0,0,1,1,0|2,0,0]=4 1743 B9R1.35 OC(=O)[C@H]1COC(=O)N1 Amb24340149 [0,0,0,1,1,0|2,0,0]=4 1744 B9R1.35 OC1CCC(C1)C(O)=O Amb21963572 [0,0,0,1,1,0|1,0,1]=4 1745 B9R1.35 O[C@@H]1CC[C@@H](C1)C(O)=O Amb22746073 [0,0,0,1,1,0|1,0,1]=4 1746 B9R1.35 O[C@@H]1CC[C@H](C1)C(O)=O Amb22746558 [0,0,0,1,1,0|1,0,1]=4 1747 B9R1.35 O[C@@H]1CC[C@H](N1)C(O)=O Amb24515622 [0,0,0,1,1,0|1,0,1]=4 1748 B9R1.49 O=C1CCCC(=O)CC1 Amb25797316 [0,0,0,1,1,0|2,0,0]=4 1749 B9R1.49 O=C1CNC(=O)CCC1 Amb25144028 [0,0,0,1,1,0|2,0,0]=4 1750 B9R1.53 OC(=O)CC1CC(=O)N1 Amb24351879 [0,0,0,1,1,0|1,0,0]=3 1751 B9R1.53 OC1CC(C1)CC(O)=O Amb24481941 [0,0,0,1,1,0|1,0,1]=4 1752 B9R1.53 O[C@@H]1C[C@H](C1)CC(O)=O Amb25204858 [0,0,0,1,1,0|1,0,1]=4 1753 B9R1.161 CC(=C)[C@@H]1C[C@@H]1C(O)=O Amb24514832 [0,0,0,1,1,0|2,0,0]=4 1754 B9R1.161 CC(=O)C1C[C@H]1C(C)=O Amb25319021 [0,0,0,1,1,0|2,0,0]=4 1755 B9R1.161 CC(=O)C1OC1C(O)=O Amb25233192 [0,0,0,1,1,0|2,0,0]=4 1756 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,0,0,1,1,0|1,0,0]=3 1757 B9R1.161 NC(=O)C1OC1C(O)=O Amb25695985 [0,0,0,1,1,0|2,0,0]=4 1758 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(O)=O Amb24623178 [0,0,0,1,1,0|1,0,0]=3 1759 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(N)=O Amb25273795 [0,0,0,1,1,0|2,0,0]=4 1760 B9R1.161 NC(=O)[C@H]1C[C@@H]1C(N)=O Amb24760759 [0,0,0,1,1,0|2,0,0]=4 1761 B9R1.161 NC(=O)[C@H]1C[C@H]1C(N)=O Amb24671257 [0,0,0,1,1,0|2,0,0]=4 1762 B9R1.161 NC(=O)[C@H]1O[C@H]1C(O)=O Amb25174864 [0,0,0,1,1,0|2,0,0]=4 1763 B9R1.161 OC(=O)C1CC1C(=O)O Amb1350467 [0,0,0,1,1,0|0,0,0]=2 1764 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25175103 [0,0,0,1,1,0|1,0,0]=3 1765 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)Cl Amb24402096 [0,0,0,1,1,0|1,0,0]=3 1766 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(O)=O Amb22901897 [0,0,0,1,1,0|0,0,0]=2 1767 B9R1.161 OC(=O)[C@@H]1O[C@H]1C(O)=O Amb22799776 [0,0,0,1,1,0|1,0,0]=3 1768 B9R1.161 OC(=O)[C@H]1O[C@@H]1C(O)=O Amb22262951 [0,0,0,1,1,0|1,0,0]=3 1769 B9R1.161 [O-][N+](=O)[C@@H]1C[C@H]1C(O)=O Amb25109456 [0,0,0,1,1,0|1,0,1]=4 1770 B9R1.161 [O-][N+](=O)[C@H]1C[C@H]1C(O)=O Amb25755764 [0,0,0,1,1,0|1,0,1]=4 1771 B11R1.75 CC(=O)CCC1=CCC(=O)O1 Amb25059677 [0,0,0,1,0,1|1,0,1]=4 1772 B11R1.75 CC(=O)CCC1C=CC(=O)O1 Amb25143549 [0,0,0,1,0,1|1,0,1]=4 1773 B11R1.75 CC(=O)CCC1CC(=O)NC1 Amb25857985 [0,0,0,1,0,1|2,0,0]=4 1774 B11R1.75 CC(=O)CSC1CC(=O)CC1 Amb25832598 [0,0,0,1,0,1|2,0,0]=4 1775 B11R1.75 CC(=O)NCC1CC(=O)CC1 Amb25082878 [0,0,0,1,0,1|2,0,0]=4 1776 B11R1.75 CC(=O)NCC1CCC(=O)N1 Amb24677003 [0,0,0,1,0,1|2,0,0]=4 1777 B11R1.75 CC(=O)NC[C@H]1CNC(=O)O1 Amb24484739 [0,0,0,1,0,1|2,0,0]=4 1778 B11R1.75 CC(=O)OCC1CC(=O)CC1 Amb25821465 [0,0,0,1,0,1|2,0,0]=4 1779 B11R1.75 CC(=O)OCC1CCC(=O)N1 Amb24486136 [0,0,0,1,0,1|2,0,0]=4 1780 B11R1.75 CC(=O)OC[C@@H]1CC(=O)CC1 Amb25683743 [0,0,0,1,0,1|2,0,0]=4 1781 B11R1.75 CC(=O)OC[C@@H]1CCC(=O)N1 Amb24469286 [0,0,0,1,0,1|2,0,0]=4 1782 B11R1.75 CC(=O)OC[C@@H]1CNC(=O)O1 Amb24533176 [0,0,0,1,0,1|2,0,0]=4 1783 B11R1.75 CC1CCC(CCC(O)=O)O1 Amb20623187 [0,0,0,1,0,1|1,0,1]=4 1784 B11R1.75 C[C@@H]1CC[C@@H](CCC(O)=O)O1 Amb25299457 [0,0,0,1,0,1|1,0,1]=4 1785 B11R1.75 NC(=O)CCC1CCC(=O)N1 Amb25138799 [0,0,0,1,0,1|2,0,0]=4 1786 B11R1.75 NC(=O)CCN1CC(=O)CC1 Amb24580305 [0,0,0,1,0,1|2,0,0]=4 1787 B11R1.75 NC(=O)CSC1CC(=O)CC1 Amb25151931 [0,0,0,1,0,1|2,0,0]=4 1788 B11R1.75 NC(=O)NCC1CNC(=O)O1 Amb24485321 [0,0,0,1,0,1|2,0,0]=4 1789 B11R1.75 O=C1CCC(C1)CCC(=O)Cl Amb24408466 [0,0,0,1,0,1|2,0,0]=4 1790 B11R1.75 OC(=O)CCC1CC(=O)CC1 Amb18125974 [0,0,0,1,0,1|1,0,0]=3 1791 B11R1.75 OC(=O)CCC1CC(=O)OC1 Amb18644988 [0,0,0,1,0,1|1,0,0]=3 1792 B11R1.75 OC(=O)CCC1CCC(=O)O1 Amb18126095 [0,0,0,1,0,1|0,0,0]=2 1793 B11R1.75 OC(=O)CCC1CCC(=O)S1 Amb24487846 [0,0,0,1,0,1|0,1,0]=3 1794 B11R1.75 OC(=O)CCC1COC(=O)N1 Amb24358987 [0,0,0,1,0,1|1,0,0]=3 1795 B11R1.75 OC(=O)CC[C@H]1CCC(=O)O1 Amb24487947 [0,0,0,1,0,1|0,0,0]=2 1796 B11R1.75 OC(=O)CSC1CC(=O)OC1 Amb25111201 [0,0,0,1,0,1|2,0,0]=4 1797 B11R1.75 OC(=O)CSC1CCC(=O)N1 Amb2428430 [0,0,0,1,0,1|1,0,0]=3 1798 B11R1.75 OC(=O)\C=C/C1COC(=O)O1 Amb25858098 [0,0,0,1,0,1|0,0,2]=4 1799 B11R1.75 OC(=O)\C=C\C1COC(=O)O1 Amb24519254 [0,0,0,1,0,1|0,0,2]=4 1800 B11R1.75 OC1CCC(C1)CCC(O)=O Amb24666025 [0,0,0,1,0,1|1,0,1]=4 1801 B11R1.75 OC1CN(CC1)CCC(O)=O Amb18999852 [0,0,0,1,0,1|1,0,1]=4 1802 B11R1.75 O[C@H]1CN(CC1)CCC(O)=O Amb24469468 [0,0,0,1,0,1|1,0,1]=4 1803 B11R1.144 O=C1CCC(=O)CCCCC1 Amb25830564 [0,0,0,1,0,1|2,0,0]=4 1804 B11R1.144 O=C1CCCCCC(=O)C=C1 Amb25282753 [0,0,0,1,0,1|2,0,0]=4 1805 B11R1.154 CC(=O)CCCC=1CC(=O)C1 Amb24766882 [0,0,0,1,0,1|2,0,0]=4 1806 B11R1.154 CC(=O)OCCC1CC(=O)N1 Amb24766312 [0,0,0,1,0,1|2,0,0]=4 1807 B11R1.154 OC1CN(C1)CCCC(O)=O Amb25385303 [0,0,0,1,0,1|1,0,1]=4 1808 B11R1.157 C=C1CC(CC(O)=O)CCC1 Amb23589688 [0,0,0,1,0,1|2,0,0]=4 1809 B11R1.157 C=C1CN(CC(O)=O)CCC1 Amb24615293 [0,0,0,1,0,1|2,0,0]=4 1810 B11R1.157 CC(=O)CC1CCCC(=O)N1 Amb24634713 [0,0,0,1,0,1|2,0,0]=4 1811 B11R1.157 CC(=O)CC=1CCCC(=O)C1 Amb25188756 [0,0,0,1,0,1|2,0,0]=4 1812 B11R1.157 CC(=O)C[C@@H]1CC(=O)CCC1 Amb24486351 [0,0,0,1,0,1|2,0,0]=4 1813 B11R1.157 CC(=O)NC1CC(=O)CCC1 Amb24598276 [0,0,0,1,0,1|2,0,0]=4 1814 B11R1.157 CC(=O)OC1CC(=O)CCC1 Amb24408330 [0,0,0,1,0,1|2,0,0]=4 1815 B11R1.157 CC(=O)O[C@H]1CC(=O)CCC1 Amb24509584 [0,0,0,1,0,1|2,0,0]=4 1816 B11R1.157 CC(=O)S[C@@H]1CC(=O)CCC1 Amb25833719 [0,0,0,1,0,1|2,0,0]=4 1817 B11R1.157 CC1CCCC(CC(O)=O)O1 Amb18126127 [0,0,0,1,0,1|1,0,1]=4 1818 B11R1.157 CC=1CCCC(CC(O)=O)C1 Amb25274980 [0,0,0,1,0,1|2,0,0]=4 1819 B11R1.157 C[C@@H]1CCC[C@@H](CC(O)=O)O1 Amb24609908 [0,0,0,1,0,1|1,0,1]=4 1820 B11R1.157 C[C@H]1CCC[C@@H](CC(O)=O)O1 Amb25201003 [0,0,0,1,0,1|1,0,1]=4 1821 B11R1.157 NC(=O)CC1CC(=O)CCN1 Amb24566618 [0,0,0,1,0,1|2,0,0]=4 1822 B11R1.157 NC(=O)CC1CC(=O)NCC1 Amb24627882 [0,0,0,1,0,1|2,0,0]=4 1823 B11R1.157 NC(=O)CC1CCCC(=O)N1 Amb19515424 [0,0,0,1,0,1|2,0,0]=4 1824 B11R1.157 OC(=O)CC1CC(=O)NCC1 Amb18200020 [0,0,0,1,0,1|1,0,0]=3 1825 B11R1.157 OC(=O)CC1CCCC(=O)N1 Amb18200018 [0,0,0,1,0,1|1,0,0]=3 1826 B11R1.157 OC(=O)CC1CCCC(=O)O1 Amb25702813 [0,0,0,1,0,1|0,0,0]=2 1827 B11R1.157 OC(=O)CC1CNCC(=O)N1 Amb25800398 [0,0,0,1,0,1|1,0,0]=3 1828 B11R1.157 OC(=O)CC1COCC(=O)N1 Amb25253163 [0,0,0,1,0,1|1,0,0]=3 1829 B11R1.157 OC(=O)CC=1CCCC(=O)C1 Amb25322003 [0,0,0,1,0,1|1,0,0]=3 1830 B11R1.157 OC(=O)CN1CC(=O)CCC1 Amb18200026 [0,0,0,1,0,1|1,0,0]=3 1831 B11R1.157 OC(=O)CN1CCNC(=O)C1 Amb2235553 [0,0,0,1,0,1|2,0,0]=4 1832 B11R1.157 OC(=O)CN1CCOC(=O)C1 Amb1093951 [0,0,0,1,0,1|2,0,0]=4 1833 B11R1.157 OC(=O)C[C@@H]1CNCC(=O)N1 Amb25324304 [0,0,0,1,0,1|1,0,0]=3 1834 B11R1.157 OC(=O)C[C@H]1CCCC(=O)O1 Amb24383646 [0,0,0,1,0,1|0,0,0]=2 1835 B11R1.157 OC(=O)\C=C/1\CCCC(=O)N1 Amb24670052 [0,0,0,1,0,1|1,0,1]=4 1836 B11R1.157 OC1CCCC(C1)CC(O)=O Amb18645020 [0,0,0,1,0,1|1,0,1]=4 1837 B11R1.157 OC1CCCN(C1)CC(=O)O Amb15701257 [0,0,0,1,0,1|1,0,1]=4 1838 B11R1.157 O[C@@H]1CCC[C@H](C1)CC(O)=O Amb25257413 [0,0,0,1,0,1|1,0,1]=4 1839 B11R1.157 O[C@@H]1CN(CC(O)=O)CCC1 Amb22224789 [0,0,0,1,0,1|1,0,1]=4 1840 B11R1.157 O[C@H]1CCC[C@H](C1)CC(O)=O Amb24552923 [0,0,0,1,0,1|1,0,1]=4 1841 B11R1.157 O[C@H]1CN(CC(O)=O)CCC1 Amb22224754 [0,0,0,1,0,1|1,0,1]=4 1842 B11R1.177 CC1(O)CCCCC1C(O)=O Amb24511332 [0,0,0,1,0,1|1,0,1]=4 1843 B11R1.177 OC(=O)C1CCCCS1(=O)=O Amb20669083 [0,0,0,1,0,1|1,0,1]=4 1844 B11R1.178 CC(=C)C1OCCC1C(O)=O Amb25149367 [0,0,0,1,0,1|2,0,0]=4 1845 B11R1.178 CC(=C)N1CCC[C@H]1C(O)=O Amb25837461 [0,0,0,1,0,1|2,0,0]=4 1846 B11R1.178 CC(=C)[C@H]1OCC[C@H]1C(O)=O Amb25176580 [0,0,0,1,0,1|2,0,0]=4 1847 B11R1.178 CC(=O)C1CCCC1C(C)=O Amb25792934 [0,0,0,1,0,1|2,0,0]=4 1848 B11R1.178 CC(=O)N1CCCC1C(C)=O Amb23442745 [0,0,0,1,0,1|2,0,0]=4 1849 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Amb10072246 [0,0,0,1,0,1|1,0,0]=3 1850 B11R1.178 CC(=O)N1CCC[C@@H]1C(N)=O Amb22756686 [0,0,0,1,0,1|2,0,0]=4 1851 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Amb1154281 [0,0,0,1,0,1|1,0,0]=3 1852 B11R1.178 CC(=O)N1CCSC1C(O)=O Amb18647907 [0,0,0,1,0,1|2,0,0]=4 1853 B11R1.178 CC(=O)N1COC[C@@H]1C(O)=O Amb24546404 [0,0,0,1,0,1|2,0,0]=4 1854 B11R1.178 CC(=O)N1CSC[C@@H]1C(O)=O Amb18795582 [0,0,0,1,0,1|2,0,0]=4 1855 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O Amb17608078 [0,0,0,1,0,1|2,0,0]=4 1856 B11R1.178 CC(=O)N1OCCC1C(O)=O Amb25779397 [0,0,0,1,0,1|2,0,0]=4 1857 B11R1.178 CC(=O)N1OCC[C@H]1C(O)=O Amb25065333 [0,0,0,1,0,1|2,0,0]=4 1858 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(C)=O Amb25270242 [0,0,0,1,0,1|2,0,0]=4 1859 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(O)=O Amb23558958 [0,0,0,1,0,1|1,0,0]=3 1860 B11R1.178 CS(=O)N1CCC[C@@H]1C(O)=O Amb25347319 [0,0,0,1,0,1|2,0,0]=4 1861 B11R1.178 NC(=N)N1CCCC1C(O)=O Amb22330609 [0,0,0,1,0,1|2,0,0]=4 1862 B11R1.178 NC(=N)N1CCC[C@H]1C(O)=O Amb22586483 [0,0,0,1,0,1|2,0,0]=4 1863 B11R1.178 NC(=O)C1CCCC1C(O)=O Amb25714211 [0,0,0,1,0,1|1,0,0]=3 1864 B11R1.178 NC(=O)C=1CCCC1C(O)=O Amb24487814 [0,0,0,1,0,1|1,0,1]=4 1865 B11R1.178 NC(=O)N1CCCC1C(=O)O Amb1151099 [0,0,0,1,0,1|1,0,0]=3 1866 B11R1.178 NC(=O)N1CCC[C@@H]1C(O)=O Amb18787750 [0,0,0,1,0,1|1,0,0]=3 1867 B11R1.178 NC(=O)N1CCC[C@H]1C(N)=O Amb24701943 [0,0,0,1,0,1|2,0,0]=4 1868 B11R1.178 NC(=O)[C@@H]1CCC[C@H]1C(N)=O Amb25218558 [0,0,0,1,0,1|2,0,0]=4 1869 B11R1.178 NC(=O)[C@H]1CCC[C@@H]1C(N)=O Amb24512282 [0,0,0,1,0,1|2,0,0]=4 1870 B11R1.178 NC(=O)[C@H]1CCC[C@H]1C(N)=O Amb24509119 [0,0,0,1,0,1|2,0,0]=4 1871 B11R1.178 OC(=O)C1=CCCC1C(O)=O Amb24358007 [0,0,0,1,0,1|0,0,1]=3 1872 B11R1.178 OC(=O)C1CCCN1C(=O)Cl Amb25321978 [0,0,0,1,0,1|1,0,0]=3 1873 B11R1.178 OC(=O)C1CCC[C@@H]1C(O)=O Amb25172821 [0,0,0,1,0,1|0,0,0]=2 1874 B11R1.178 OC(=O)C1CNCC1C(O)=O Amb22495455 [0,0,0,1,0,1|0,0,0]=2 1875 B11R1.178 OC(=O)C1COCC1C(O)=O Amb23571987 [0,0,0,1,0,1|0,0,0]=2 1876 B11R1.178 OC(=O)C1NCCC1C(O)=O Amb22741053 [0,0,0,1,0,1|0,0,0]=2 1877 B11R1.178 OC(=O)C1NCCC1C(O)=O Amb24060966 [0,0,0,1,0,1|0,0,0]=2 1878 B11R1.178 OC(=O)C1OCOC1C(O)=O Amb24513880 [0,0,0,1,0,1|1,0,0]=3 1879 B11R1.178 OC(=O)C=1CCCC1C(=O)Cl Amb25794193 [0,0,0,1,0,1|1,0,1]=4 1880 B11R1.178 OC(=O)C=1COCC1C(O)=O Amb22356371 [0,0,0,1,0,1|0,0,2]=4 1881 B11R1.178 OC(=O)C=1CSCC1C(O)=O Amb18647803 [0,0,0,1,0,1|0,0,2]=4 1882 B11R1.178 OC(=O)C=1SCCC1C(O)=O Amb18647805 [0,0,0,1,0,1|0,0,2]=4 1883 B11R1.178 OC(=O)N1CCCC1C(O)=O Amb24060622 [0,0,0,1,0,1|0,0,0]=2 1884 B11R1.178 OC(=O)[C@@H]1CCCN1C(=O)Cl Amb24407327 [0,0,0,1,0,1|1,0,0]=3 1885 B11R1.178 OC(=O)[C@@H]1CCCN1C(S)=S Amb25189153 [0,0,0,1,0,1|0,2,0]=4 1886 B11R1.178 OC(=O)[C@@H]1CCC[C@@H]1C(=O)Cl Amb24712700 [0,0,0,1,0,1|1,0,0]=3 1887 B11R1.178 OC(=O)[C@@H]1CCC[C@@H]1C(=O)O Amb13890829 [0,0,0,1,0,1|0,0,0]=2 1888 B11R1.178 OC(=O)[C@@H]1CNC[C@H]1C(O)=O Amb25200351 [0,0,0,1,0,1|0,0,0]=2 1889 B11R1.178 OC(=O)[C@@H]1OCO[C@H]1C(O)=O Amb25173184 [0,0,0,1,0,1|1,0,0]=3 1890 B11R1.178 OC(=O)[C@H]1CC=C[C@@H]1C(O)=O Amb24551403 [0,0,0,1,0,1|0,0,1]=3 1891 B11R1.178 OC(=O)[C@H]1CCC[C@@H]1C(O)=O Amb25173035 [0,0,0,1,0,1|0,0,0]=2 1892 B11R1.178 OC(=O)[C@H]1CSC[C@H]1C(O)=O Amb25322060 [0,0,0,1,0,1|0,0,0]=2 1893 B11R1.178 [O-][N+](=O)N1CCC[C@H]1C(O)=O Amb25216813 [0,0,0,1,0,1|1,0,1]=4 1894 B11R1.234 OC(=O)CC1CCCS1(=O)=O Amb24703496 [0,0,0,1,0,1|1,0,1]=4 1895 B11R1.234 OC(=O)CN1CCCP1(O)=O Amb24356954 [0,0,0,1,0,1|1,0,0]=3 1896 B11R1.497 CC=1NCCCC(N1)C(O)=O Amb25807925 [0,0,0,1,0,1|2,0,0]=4 1897 B11R1.497 CC=1NCCC[C@H](N1)C(O)=O Amb25060168 [0,0,0,1,0,1|2,0,0]=4 1898 B11R1.497 N=C1NC(CCCN1)C(O)=O Amb25321896 [0,0,0,1,0,1|2,0,0]=4 1899 B11R1.497 NC(=O)C1CSCCC(=O)N1 Amb21943337 [0,0,0,1,0,1|2,0,0]=4 1900 B11R1.497 O=C1CCCCC(C1)C(=O)O Amb10603800 [0,0,0,1,0,1|1,0,0]=3 1901 B11R1.497 OC(=O)C1CCCCC(=O)N1 Amb19515429 [0,0,0,1,0,1|1,0,0]=3 1902 B11R1.497 OC(=O)C1COCCC(=O)N1 Amb24417172 [0,0,0,1,0,1|1,0,0]=3 1903 B11R1.497 OC(=O)C1CSCCC(=O)N1 Amb21937059 [0,0,0,1,0,1|1,0,0]=3 1904 B11R1.497 OC(=O)C=1CC(=O)CCCC1 Amb24650908 [0,0,0,1,0,1|1,0,1]=4 1905 B11R1.497 OC(=O)[C@@H]1CCCNC(=O)N1 Amb24692630 [0,0,0,1,0,1|1,0,0]=3 1906 B11R1.497 OC(=O)[C@@H]1CSCCC(=O)N1 Amb24469319 [0,0,0,1,0,1|1,0,0]=3 1907 B11R1.708 CC(=O)N1CCC1CC(O)=O Amb24429021 [0,0,0,1,0,1|1,0,0]=3 1908 B11R1.708 CC(=O)OC1CCC1C(O)=O Amb25095808 [0,0,0,1,0,1|1,0,0]=3 1909 B11R1.708 CC(=O)O[C@H]1CC[C@H]1C(O)=O Amb24519491 [0,0,0,1,0,1|1,0,0]=3 1910 B11R1.708 NC(=O)N1CCC1CC(O)=O Amb24727755 [0,0,0,1,0,1|1,0,0]=3 1911 B11R1.708 NC(=O)N[C@@H]1CC[C@@H]1C(O)=O Amb24651044 [0,0,0,1,0,1|1,0,0]=3 1912 B11R1.708 OC(=O)CC1CCC1C(O)=O Amb25758770 [0,0,0,1,0,1|0,0,0]=2 1913 B11R1.708 OC(=O)C[C@@H]1CC[C@H]1C(O)=O Amb24612096 [0,0,0,1,0,1|0,0,0]=2 1914 B11R1.708 OC(=O)C[C@@H]1CN[C@H]1C(O)=O Amb19131121 [0,0,0,1,0,1|0,0,0]=2 1915 B11R1.711 CC(=O)CCC1CC1C(O)=O Amb25384585 [0,0,0,1,0,1|1,0,0]=3 1916 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(O)=O Amb25384133 [0,0,0,1,0,1|1,0,0]=3 1917 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(O)=O Amb25383057 [0,0,0,1,0,1|1,0,0]=3 1918 B11R1.711 CC(=O)NC[C@H]1C[C@H]1C(O)=O Amb25277428 [0,0,0,1,0,1|1,0,0]=3 1919 B11R1.711 CC(=O)OC[C@H]1C[C@@H]1C(O)=O Amb24763031 [0,0,0,1,0,1|1,0,0]=3 1920 B11R1.711 NC(=O)\C=C\C1CC1C(O)=O Amb23590824 [0,0,0,1,0,1|1,0,1]=4 1921 B11R1.76 O=C1CCC(CS(=O)(=O)Cl)O1 Amb25082300 [0,1,0,1,0,0|1,0,1]=4 1922 B11R1.76 OS(=O)(=O)CC1CNC(=O)O1 Amb25858231 [0,1,0,1,0,0|2,0,0]=4 1923 B11R1.155 CP(O)(=O)C1CC(=O)CCC1 Amb25730100 [0,1,0,1,0,0|2,0,0]=4 1924 B11R1.710 CC1(C)CCC(CC(O)=O)O1 Amb18126155 [0,1,0,1,0,0|1,0,1]=4 1925 B11R1.710 OC(=O)CC1CCS(=O)(=O)C1 Amb1154428 [0,1,0,1,0,0|1,0,1]=4 1926 B11R1.710 OC(=O)CC1CCS(=O)(=O)N1 Amb24595350 [0,1,0,1,0,0|1,0,1]=4 1927 B11R1.710 OC(=O)CC1CC[S+]([O-])(=O)C1 Amb17780664 [0,1,0,1,0,0|1,0,1]=4 1928 B11R1.730 CC1(O)CC(CCC1)C(O)=O Amb18126140 [0,1,0,1,0,0|1,0,1]=4 1929 B11R1.730 OC(=O)C1CCCS(=O)(=O)C1 Amb15701364 [0,1,0,1,0,0|1,0,1]=4 1930 B11R1.730 OC(=O)[C@@H]1CCCS(=O)(=O)N1 Amb25080020 [0,1,0,1,0,0|1,0,1]=4 1931 B11R1.731 NS(=O)(=O)C1CCC1C(O)=O Amb24545058 [0,1,0,1,0,0|1,0,1]=4 1932 B11R1.731 NS(=O)(=O)[C@@H]1CC[C@H]1C(O)=O Amb24682033 [0,1,0,1,0,0|1,0,1]=4 1933 B11R1.731 OC(=O)C1CCC1S(=O)(=O)Cl Amb25286996 [0,1,0,1,0,0|1,0,1]=4 1934 B11R1.20 CC(=O)CC1CCC(=O)C=C1 Amb25735070 [0,1,0,1,0,0|2,0,0]=4 1935 B11R1.20 CC(=O)CC1CCC(=O)CC1 Amb24631170 [0,1,0,1,0,0|2,0,0]=4 1936 B11R1.20 OC(=O)CC1CCC(=O)C=C1 Amb25046213 [0,1,0,1,0,0|1,0,0]=3 1937 B11R1.20 OC(=O)CC1CCC(=O)CC1 Amb10607825 [0,1,0,1,0,0|1,0,0]=3 1938 B11R1.20 OC(=O)CC1CCC(=O)NC1 Amb18200019 [0,1,0,1,0,0|1,0,0]=3 1939 B11R1.20 OC(=O)CC1CNC(=O)CN1 Amb24655930 [0,1,0,1,0,0|2,0,0]=4 1940 B11R1.20 OC(=O)CC1CNC(=O)CO1 Amb25208483 [0,1,0,1,0,0|1,0,0]=3 1941 B11R1.20 OC(=O)CC=1CCC(=O)CC1 Amb25139696 [0,1,0,1,0,0|1,0,1]=4 1942 B11R1.20 OC(=O)CN1CCC(=O)CC1 Amb21955570 [0,1,0,1,0,0|2,0,0]=4 1943 B11R1.20 OC(=O)C[C@@H]1CNC(=O)CN1 Amb25367224 [0,1,0,1,0,0|2,0,0]=4 1944 B11R1.20 OC(=O)C[C@H]1CCC(=O)C=C1 Amb24391524 [0,1,0,1,0,0|1,0,0]=3 1945 B11R1.20 OC1CCC(CC(O)=O)CC1 Amb18126157 [0,1,0,1,0,0|1,0,1]=4 1946 B11R1.20 O[C@@H]1CC[C@@H](CC(O)=O)CC1 Amb24076397 [0,1,0,1,0,0|1,0,1]=4 1947 B11R1.20 O[C@@H]1CC[C@H](CC(O)=O)CC1 Amb24093224 [0,1,0,1,0,0|1,0,1]=4 1948 B11R1.23 C=C(C=O)C1CC(=O)CCC1 Amb24469300 [0,1,0,1,0,0|2,0,0]=4 1949 B11R1.23 C=CC(=O)C1CCCC(=O)C1 Amb10562683 [0,1,0,1,0,0|2,0,0]=4 1950 B11R1.23 CC[C@H](O)[C@H]1CCCC(=O)O1 Amb24674493 [0,1,0,1,0,0|1,0,1]=4 1951 B11R1.23 CNC(=O)C1CC(=O)CCC1 Amb25351444 [0,1,0,1,0,0|2,0,0]=4 1952 B11R1.23 COC(=C)C1CC(=O)CCC1 Amb25707472 [0,1,0,1,0,0|2,0,0]=4 1953 B11R1.23 COC(=C)[C@H]1CC(=O)CCC1 Amb25143369 [0,1,0,1,0,0|2,0,0]=4 1954 B11R1.23 COC(=O)C1CC(=O)CCN1 Amb13889092 [0,1,0,1,0,0|2,0,0]=4 1955 B11R1.23 COC(=O)C1CC(=O)CCN1 Amb22899628 [0,1,0,1,0,0|2,0,0]=4 1956 B11R1.23 COC(=O)C1CC(=O)CCO1 Amb25309255 [0,1,0,1,0,0|2,0,0]=4 1957 B11R1.23 COC(=O)C1CC(=O)CNC1 Amb25178940 [0,1,0,1,0,0|2,0,0]=4 1958 B11R1.23 COC(=O)C1CC(=O)CSC1 Amb25797399 [0,1,0,1,0,0|2,0,0]=4 1959 B11R1.23 COC(=O)C1CC(=O)NCC1 Amb21922898 [0,1,0,1,0,0|2,0,0]=4 1960 B11R1.23 COC(=O)C1CCCC(=O)N1 Amb13886339 [0,1,0,1,0,0|1,0,0]=3 1961 B11R1.23 COC(=O)C1CCCC(O)C1 Amb19516181 [0,1,0,1,0,0|1,0,1]=4 1962 B11R1.23 COC(=O)C1CCOC(=O)N1 Amb25044321 [0,1,0,1,0,0|2,0,0]=4 1963 B11R1.23 COC(=O)C1CCSC(=O)N1 Amb25315086 [0,1,0,1,0,0|2,0,0]=4 1964 B11R1.23 COC(=O)C1CNCC(=O)N1 Amb18126111 [0,1,0,1,0,0|2,0,0]=4 1965 B11R1.23 COC(=O)C1COCC(=O)C1 Amb25086714 [0,1,0,1,0,0|2,0,0]=4 1966 B11R1.23 COC(=O)C1COCC(=O)N1 Amb24118077 [0,1,0,1,0,0|2,0,0]=4 1967 B11R1.23 COC(=O)C1CSCC(=O)N1 Amb24637882 [0,1,0,1,0,0|2,0,0]=4 1968 B11R1.23 COC(=O)C=1CCCC(=O)C1 Amb22284374 [0,1,0,1,0,0|1,0,1]=4 1969 B11R1.23 COC(=O)N1CC(=O)CCC1 Amb22490336 [0,1,0,1,0,0|2,0,0]=4 1970 B11R1.23 COC(=O)[C@@H]1CC(=O)CCC1 Amb25084961 [0,1,0,1,0,0|1,0,0]=3 1971 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 Amb13889085 [0,1,0,1,0,0|2,0,0]=4 1972 B11R1.23 COC(=O)[C@@H]1CC(=O)CCO1 Amb25794184 [0,1,0,1,0,0|2,0,0]=4 1973 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 Amb25375349 [0,1,0,1,0,0|1,0,0]=3 1974 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](O)C1 Amb22899456 [0,1,0,1,0,0|1,0,1]=4 1975 B11R1.23 COC(=O)[C@@H]1CCNC(=O)N1 Amb24699797 [0,1,0,1,0,0|2,0,0]=4 1976 B11R1.23 COC(=O)[C@@H]1CCOC(=O)N1 Amb25785572 [0,1,0,1,0,0|2,0,0]=4 1977 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 Amb25759494 [0,1,0,1,0,0|2,0,0]=4 1978 B11R1.23 COC(=O)[C@H]1CC(=O)CCC1 Amb24486283 [0,1,0,1,0,0|1,0,0]=3 1979 B11R1.23 COC(=O)[C@H]1CCC[C@@H](O)C1 Amb25198846 [0,1,0,1,0,0|1,0,1]=4 1980 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 Amb25225913 [0,1,0,1,0,0|1,0,1]=4 1981 B11R1.23 COC(=O)[C@H]1CCSC(=O)N1 Amb24484852 [0,1,0,1,0,0|2,0,0]=4 1982 B11R1.23 O=C1CCCC(C1)C(=O)CCl Amb25321031 [0,1,0,1,0,0|2,0,0]=4 1983 B11R1.23 ONC(=O)C1CCCC(=O)N1 Amb25122407 [0,1,0,1,0,0|1,0,0]=3 1984 B11R1.23 O[C@H](CO)[C@@H]1CCCC(=O)O1 Amb25198847 [0,1,0,1,0,0|0,0,2]=4 1985 B11R1.39 CCC(=O)C[C@@H]1CC(=O)CC1 Amb25151572 [0,1,0,1,0,0|2,0,0]=4 1986 B11R1.39 COC(=O)CC1C=CC(=O)O1 Amb24066588 [0,1,0,1,0,0|0,0,2]=4 1987 B11R1.39 COC(=O)CC1CC(=O)CC1 Amb21962984 [0,1,0,1,0,0|1,0,0]=3 1988 B11R1.39 COC(=O)CC1CC(=O)CN1 Amb24596599 [0,1,0,1,0,0|2,0,0]=4 1989 B11R1.39 COC(=O)CC1CNC(=O)C1 Amb23453157 [0,1,0,1,0,0|2,0,0]=4 1990 B11R1.39 COC(=O)CC1CNC(=O)N1 Amb25709662 [0,1,0,1,0,0|2,0,0]=4 1991 B11R1.39 COC(=O)CC1CNC(=O)O1 Amb24709358 [0,1,0,1,0,0|1,0,0]=3 1992 B11R1.39 COC(=O)CC=1CCC(=O)C1 Amb24724026 [0,1,0,1,0,0|1,0,1]=4 1993 B11R1.39 COC(=O)CN1CC(=O)CC1 Amb25696377 [0,1,0,1,0,0|2,0,0]=4 1994 B11R1.39 COC(=O)C[C@@H]1CCC(=O)N1 Amb25277134 [0,1,0,1,0,0|1,0,0]=3 1995 B11R1.39 COC(=O)C[C@@H]1CC[C@H](O)C1 Amb25054455 [0,1,0,1,0,0|1,0,1]=4 1996 B11R1.39 COC(=O)C[C@@H]1CNC(=O)O1 Amb24486121 [0,1,0,1,0,0|1,0,0]=3 1997 B11R1.39 COC(=O)C[C@H]1CC[C@@H](O)C1 Amb24598237 [0,1,0,1,0,0|1,0,1]=4 1998 B11R1.39 COC(=O)C[C@H]1COC(=O)N1 Amb24596361 [0,1,0,1,0,0|2,0,0]=4 1999 B11R1.39 COC(=O)NC1CC(=O)CC1 Amb23454127 [0,1,0,1,0,0|2,0,0]=4 2000 B11R1.39 COC(=O)NC1CCC(=O)O1 Amb24741804 [0,1,0,1,0,0|1,0,0]=3 2001 B11R1.39 COC(=S)CC1CC(=O)CC1 Amb24645405 [0,1,0,1,0,0|1,1,0]=4 2002 B11R1.39 COS(=O)CC1CC(=O)CC1 Amb24690609 [0,1,0,1,0,0|2,0,0]=4 2003 B11R1.39 OC(CC1CCC(=O)O1)CO Amb24395433 [0,1,0,1,0,0|0,0,2]=4 2004 B11R1.43 CO[C@@H]1C[C@@H](CC(O)=O)CC1 Amb25260453 [0,1,0,1,0,0|1,0,1]=4 2005 B11R1.43 NCC1CCC(CC(O)=O)O1 Amb18199868 [0,1,0,1,0,0|1,0,1]=4 2006 B11R1.43 OC(=O)CC1CN(CC1)C=O Amb24356106 [0,1,0,1,0,0|2,0,0]=4 2007 B11R1.43 OC(=O)C[C@H]1CC[C@@H](C=O)O1 Amb24595186 [0,1,0,1,0,0|0,0,1]=3 2008 B11R1.43 OCC1CC(CC1)CC(O)=O Amb25054034 [0,1,0,1,0,0|1,0,1]=4 2009 B11R1.145 O=C1CCCCC(=O)OCC1 Amb25128459 [0,1,0,1,0,0|1,0,0]=3 2010 B11R1.147 CC1C(CCC(O)=O)CC1=O Amb25074595 [0,1,0,1,0,0|1,0,0]=3 2011 B11R1.159 C=C1C(CCCC1=O)C(O)=O Amb18125677 [0,1,0,1,0,0|1,0,0]=3 2012 B11R1.159 CC(=O)C1CCCC(=O)C1C Amb25353692 [0,1,0,1,0,0|2,0,0]=4 2013 B11R1.159 CC1=C(CCCC1=O)C(O)=O Amb18125678 [0,1,0,1,0,0|1,0,1]=4 2014 B11R1.159 CC1C(CCCC1=O)C(N)=O Amb25231274 [0,1,0,1,0,0|2,0,0]=4 2015 B11R1.159 CC1C(CCCC1=O)C(O)=O Amb18644795 [0,1,0,1,0,0|1,0,0]=3 2016 B11R1.159 CC1C(CCCC1O)C(O)=O Amb25072619 [0,1,0,1,0,0|1,0,1]=4 2017 B11R1.159 CC1CCCC(C1O)C(O)=O Amb25216945 [0,1,0,1,0,0|1,0,1]=4 2018 B11R1.159 CC1[C@H](CCC[C@@H]1O)C(O)=O Amb24512159 [0,1,0,1,0,0|1,0,1]=4 2019 B11R1.159 CN1C(CCCC1=O)C(O)=O Amb18830654 [0,1,0,1,0,0|1,0,0]=3 2020 B11R1.159 CN1CCCC(C(O)=O)C1=O Amb23571786 [0,1,0,1,0,0|2,0,0]=4 2021 B11R1.159 C[C@@H]1[C@H](CCCC1=O)C(N)=O Amb25195388 [0,1,0,1,0,0|2,0,0]=4 2022 B11R1.159 C[C@H]1[C@H](CCC[C@H]1O)C(O)=O Amb24634320 [0,1,0,1,0,0|1,0,1]=4 2023 B11R1.159 N[C@@H]1C(CCCC1O)C(O)=O Amb25693587 [0,1,0,1,0,0|1,0,1]=4 2024 B11R1.159 N[C@H]1CCC[C@@H]([C@@H]1O)C(O)=O Amb24557744 [0,1,0,1,0,0|1,0,1]=4 2025 B11R1.159 N[C@H]1[C@@H](CCC[C@@H]1O)C(O)=O Amb24607358 [0,1,0,1,0,0|1,0,1]=4 2026 B11R1.159 OC(=O)C1CCNC(=O)C1O Amb25145722 [0,1,0,1,0,0|1,0,0]=3 2027 B11R1.159 OC(=O)C=1CCNC(=O)C1O Amb18830671 [0,1,0,1,0,0|1,0,1]=4 2028 B11R1.224 COC(=O)CSC1CC(=O)N1 Amb25385796 [0,1,0,1,0,0|2,0,0]=4 2029 B11R1.266 CO[C@H]1C[C@@H](CCC1)C(O)=O Amb24739740 [0,1,0,1,0,0|1,0,1]=4 2030 B11R1.266 N\N=C\1/CCCC(C1)C(O)=O Amb23453137 [0,1,0,1,0,0|2,0,0]=4 2031 B11R1.266 O=NN1CCCC(C1)C(=O)O Amb17618600 [0,1,0,1,0,0|2,0,0]=4 2032 B11R1.266 OC(=O)C1CC(CCC1)C=O Amb25849368 [0,1,0,1,0,0|1,0,1]=4 2033 B11R1.266 OC(=O)C1CCNC(CO)=N1 Amb24099642 [0,1,0,1,0,0|2,0,0]=4 2034 B11R1.266 OC(=O)C1C\C(\CCC1)=N/O Amb24563845 [0,1,0,1,0,0|1,0,0]=3 2035 B11R1.266 OC(=O)C1C\C(\CCC1)=N\O Amb23453123 [0,1,0,1,0,0|1,0,0]=3 2036 B11R1.266 OC(=O)[C@@H]1CN(CCC1)C=O Amb25685005 [0,1,0,1,0,0|2,0,0]=4 2037 B11R1.266 OCC1CC(CCC1)C(O)=O Amb24488127 [0,1,0,1,0,0|1,0,1]=4 2038 B11R1.266 OC[C@@H]1CCC[C@@H](N1)C(O)=O Amb25348501 [0,1,0,1,0,0|1,0,1]=4 2039 B11R1.266 OC[C@@H]1C[C@@H](CCC1)C(O)=O Amb24596686 [0,1,0,1,0,0|1,0,1]=4 2040 B11R1.266 ONC1CC(CCC1)C(O)=O Amb24488171 [0,1,0,1,0,0|1,0,1]=4 2041 B11R1.313 C=C1C(CCC1=O)CC(O)=O Amb25700924 [0,1,0,1,0,0|1,0,0]=3 2042 B11R1.313 C=C1CCC(CC(O)=O)C1=O Amb24677676 [0,1,0,1,0,0|1,0,0]=3 2043 B11R1.313 C=C1CCN(CC(O)=O)C1=O Amb18125827 [0,1,0,1,0,0|2,0,0]=4 2044 B11R1.313 CC(=O)CC1CCC(=O)C1=C Amb25282768 [0,1,0,1,0,0|2,0,0]=4 2045 B11R1.313 CC(=O)CC1CCC(=O)C1C Amb25683464 [0,1,0,1,0,0|2,0,0]=4 2046 B11R1.313 CC(=O)CC1CCC(=O)N1C Amb25767121 [0,1,0,1,0,0|2,0,0]=4 2047 B11R1.313 CC1C(CCC1=O)CC(N)=O Amb25204816 [0,1,0,1,0,0|2,0,0]=4 2048 B11R1.313 CC1C(CCC1=O)CC(O)=O Amb18125960 [0,1,0,1,0,0|1,0,0]=3 2049 B11R1.313 CC1CCC(CC(O)=O)C1=O Amb18125953 [0,1,0,1,0,0|1,0,1]=4 2050 B11R1.313 CN1C(=O)CCN1CC(O)=O Amb25268687 [0,1,0,1,0,0|2,0,0]=4 2051 B11R1.313 CN1CCC(CC(O)=O)C1=O Amb21964978 [0,1,0,1,0,0|2,0,0]=4 2052 B11R1.313 CN1[C@@H](CCC1=O)CC(O)=O Amb25362177 [0,1,0,1,0,0|1,0,0]=3 2053 B11R1.313 OC(=O)CC1COC(=O)C1=O Amb24627056 [0,1,0,1,0,0|1,0,1]=4 2054 B11R1.313 OC(=O)CC=1COC(=O)C1O Amb25710877 [0,1,0,1,0,0|1,0,1]=4 2055 B11R1.565 OC(=O)C1CCC(=O)NCC1 Amb24488196 [0,1,0,1,0,0|2,0,0]=4 2056 B11R1.565 OC(=O)C1CCC(=O)OCC1 Amb22001721 [0,1,0,1,0,0|2,0,0]=4 2057 B11R1.565 OC(=O)C1CCCC(=O)CC1 Amb23399610 [0,1,0,1,0,0|1,0,0]=3 2058 B11R1.565 OC(=O)C1CNC(=O)CCN1 Amb24697001 [0,1,0,1,0,0|2,0,0]=4 2059 B11R1.565 OC(=O)C1CNC(=O)CCO1 Amb24694511 [0,1,0,1,0,0|2,0,0]=4 2060 B11R1.849 CC(=O)OC1CC1C(=O)OC Amb24060870 [0,1,0,1,0,0|2,0,0]=4 2061 B11R1.849 CC(=O)O[C@@H]1C[C@H]1C(=O)OC Amb25383235 [0,1,0,1,0,0|2,0,0]=4 2062 B11R1.849 CC(=O)O[C@H]1C[C@H]1C(=O)OC Amb25383234 [0,1,0,1,0,0|2,0,0]=4 2063 B11R1.849 COC(=O)C/1C\C1=C\C(O)=O Amb25362160 [0,1,0,1,0,0|0,0,2]=4 2064 B11R1.849 COC(=O)C1CC1=CC(O)=O Amb25261373 [0,1,0,1,0,0|0,0,2]=4 2065 B11R1.870 C=CC(=O)C1CCC1C(O)=O Amb24651148 [0,1,0,1,0,0|1,0,0]=3 2066 B11R1.870 C=CC(=O)[C@H]1CC[C@H]1C(O)=O Amb24519265 [0,1,0,1,0,0|1,0,0]=3 2067 B11R1.870 CC(=C)C1CCC1C(=O)OC Amb25366544 [0,1,0,1,0,0|2,0,0]=4 2068 B11R1.870 CC(=C)[C@@H]1CC[C@@H]1C(=O)OC Amb24558969 [0,1,0,1,0,0|2,0,0]=4 2069 B11R1.870 CCC(=O)N1CCC1C(O)=O Amb24607082 [0,1,0,1,0,0|2,0,0]=4 2070 B11R1.870 CCC(=O)[C@H]1CC[C@H]1C(O)=O Amb24607376 [0,1,0,1,0,0|1,0,0]=3 2071 B11R1.870 CNC(=O)N1CCC1C(O)=O Amb24571460 [0,1,0,1,0,0|2,0,0]=4 2072 B11R1.870 COC(=O)C1C=CC1C(O)=O Amb25028121 [0,1,0,1,0,0|0,0,2]=4 2073 B11R1.870 COC(=O)C1CCC1C(N)=O Amb25091194 [0,1,0,1,0,0|1,0,0]=3 2074 B11R1.870 COC(=O)C1CCC1C(O)=O Amb25844392 [0,1,0,1,0,0|0,0,0]=2 2075 B11R1.870 COC(=O)C1CCN1C(=O)Cl Amb25351297 [0,1,0,1,0,0|2,0,0]=4 2076 B11R1.870 COC(=O)C=1CCC1C(O)=O Amb24652503 [0,1,0,1,0,0|0,0,2]=4 2077 B11R1.870 COC(=O)N1CCC1C(O)=O Amb25690182 [0,1,0,1,0,0|1,0,0]=3 2078 B11R1.870 COC(=O)N1CC[C@@H]1C(O)=O Amb24710301 [0,1,0,1,0,0|1,0,0]=3 2079 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(O)=O Amb23439085 [0,1,0,1,0,0|0,0,0]=2 2080 B11R1.870 COC(=O)[C@H]1C=C[C@H]1C(O)=O Amb25200966 [0,1,0,1,0,0|0,0,2]=4 2081 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(N)=O Amb24546454 [0,1,0,1,0,0|1,0,0]=3 2082 B11R1.870 NCC(=O)N1CCC1C(O)=O Amb24522830 [0,1,0,1,0,0|2,0,0]=4 2083 B11R1.870 OC(=O)[C@H]1CCN1C(=O)CCl Amb25347686 [0,1,0,1,0,0|2,0,0]=4 2084 B11R1.892 CC(=O)[C@H]1C[C@@H]1CC(=O)OC Amb25384084 [0,1,0,1,0,0|1,0,0]=3 2085 B11R1.74 CC1CC(=O)CC(N1)C(O)=O Amb18200027 [0,1,0,1,0,0|2,0,0]=4 2086 B11R1.74 CC1CC(CC(=O)C1)C(O)=O Amb25227466 [0,1,0,1,0,0|1,0,0]=3 2087 B11R1.74 CC1CC(NC(=O)C1)C(N)=O Amb25834138 [0,1,0,1,0,0|2,0,0]=4 2088 B11R1.74 CC1CC(O)CC(C1)C(O)=O Amb24740731 [0,1,0,1,0,0|1,0,1]=4 2089 B11R1.74 CC1CC(OC(C)C1)C(O)=O Amb18830486 [0,1,0,1,0,0|1,0,1]=4 2090 B11R1.74 NC1CC(NC(=O)C1)C(O)=O Amb18199921 [0,1,0,1,0,0|1,0,0]=3 2091 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O Amb10069927 [0,1,0,1,0,0|1,0,1]=4 2092 B11R1.74 OC(=O)C1CC(=O)CC(=O)N1 Amb18200050 [0,1,0,1,0,0|1,0,1]=4 2093 B11R1.74 OC(=O)C=1CC(O)CC(=O)C1 Amb25046744 [0,1,0,1,0,0|1,0,1]=4 2094 B11R1.74 OC(=O)C=1C[C@@H](O)CC(=O)C1 Amb25074471 [0,1,0,1,0,0|1,0,1]=4 2095 B11R1.74 OC(=O)[C@@H]1C[C@H](O)CC(=O)N1 Amb24693924 [0,1,0,1,0,0|1,0,0]=3 2096 B11R1.108 C=C1CC(C1C(O)=O)C(O)=O Amb25109156 [0,1,0,1,0,0|0,0,1]=3 2097 B11R1.167 C=C1CCC(N)C(C1)C(O)=O Amb24578461 [0,1,0,1,0,0|2,0,0]=4 2098 B11R1.167 C=C1CC[C@H](N)[C@@H](C1)C(O)=O Amb25252134 [0,1,0,1,0,0|2,0,0]=4 2099 B11R1.167 CC(=O)[C@H]1CC(=O)CC[C@@H]1C Amb25273887 [0,1,0,1,0,0|2,0,0]=4 2100 B11R1.167 CC1CCC(=O)NC1C(O)=O Amb25053909 [0,1,0,1,0,0|1,0,0]=3 2101 B11R1.167 CC1CCC(=O)OC1C(C)O Amb24704614 [0,1,0,1,0,0|1,0,1]=4 2102 B11R1.167 CC1CCC(O)CC1C(O)=O Amb24392245 [0,1,0,1,0,0|1,0,1]=4 2103 B11R1.167 CC1CC[C@@H](O)C[C@H]1C(O)=O Amb25233392 [0,1,0,1,0,0|1,0,1]=4 2104 B11R1.167 CC1OCC(=O)NC1C(O)=O Amb18862536 [0,1,0,1,0,0|2,0,0]=4 2105 B11R1.167 CC=1CCC(C)C(C1)C(O)=O Amb24634155 [0,1,0,1,0,0|2,0,0]=4 2106 B11R1.167 CN1CCC(=O)CC1C(O)=O Amb18200028 [0,1,0,1,0,0|2,0,0]=4 2107 B11R1.167 C[C@H]1CCC(=O)O[C@@H]1[C@H](C)O Amb24576941 [0,1,0,1,0,0|1,0,1]=4 2108 B11R1.167 NC1CCC(O)CC1C(O)=O Amb25139597 [0,1,0,1,0,0|1,0,1]=4 2109 B11R1.167 OC(=O)[C@@H]1NC(=O)CC[C@@H]1O Amb25174915 [0,1,0,1,0,0|1,0,0]=3 2110 B11R1.167 OC(=O)[C@@H]1NC(=O)CC[C@H]1O Amb22754033 [0,1,0,1,0,0|1,0,0]=3 2111 B11R1.167 OC(=O)[C@H]1NC(=O)CC[C@@H]1O Amb25241968 [0,1,0,1,0,0|1,0,0]=3 2112 B11R1.167 OC(=O)[C@H]1NC(=O)CC[C@H]1O Amb25327757 [0,1,0,1,0,0|1,0,0]=3 2113 B11R1.167 OC1CC(C(O)CC1)C(O)=O Amb25809422 [0,1,0,1,0,0|1,0,1]=4 2114 B11R1.645 CC(=O)C[C@@H]1OC(=O)C[C@H]1C Amb24608407 [0,1,0,1,0,0|1,0,0]=3 2115 B11R1.645 CC1=CC(=O)OC1CC(O)=O Amb18125925 [0,1,0,1,0,0|0,0,2]=4 2116 B11R1.645 CC1CC(=O)CC1CC(O)=O Amb24753844 [0,1,0,1,0,0|1,0,0]=3 2117 B11R1.645 CC1NC(=O)NC1CC(O)=O Amb25830349 [0,1,0,1,0,0|2,0,0]=4 2118 B11R1.645 C[C@@H]1CC(=O)CC1CC(O)=O Amb24693856 [0,1,0,1,0,0|1,0,0]=3 2119 B11R1.645 C[C@@H]1NC(=O)C[C@H]1CC(O)=O Amb18830651 [0,1,0,1,0,0|2,0,0]=4 2120 B11R1.645 C[C@H]1CC(=O)O[C@H]1CC(O)=O Amb25361027 [0,1,0,1,0,0|0,0,0]=2 2121 B11R1.645 OC(=O)CC1OC(=O)C=C1Br Amb17596018 [0,1,0,1,0,0|0,0,2]=4 2122 B11R1.645 OC(=O)CC1OC(=O)C=C1Cl Amb24426193 [0,1,0,1,0,0|0,0,2]=4 2123 B11R1.645 OC(=O)CC1OC(=O)CC1=O Amb24664110 [0,1,0,1,0,0|0,0,1]=3 2124 B11R1.645 OC(=O)CC1OC(=O)CC1O Amb25122786 [0,1,0,1,0,0|0,0,0]=2 2125 B11R1.645 OC(=O)C[C@@H]1OC(=O)C=C1O Amb24656939 [0,1,0,1,0,0|0,0,2]=4 2126 B11R1.645 OC(=O)C[C@@H]1OC(=O)C[C@H]1O Amb24557821 [0,1,0,1,0,0|0,0,0]=2 2127 B11R1.743 CC(=O)C1CC(CC(O)=O)C1 Amb25202475 [0,1,0,1,0,0|1,0,0]=3 2128 B11R1.743 CC(=O)N1CC(CC(O)=O)C1 Amb25349302 [0,1,0,1,0,0|2,0,0]=4 2129 B11R1.743 CC(=O)NC1CC(C1)C(O)=O Amb23441142 [0,1,0,1,0,0|2,0,0]=4 2130 B11R1.743 CC(=O)OC1CC(C1)C(O)=O Amb25148296 [0,1,0,1,0,0|2,0,0]=4 2131 B11R1.743 NC(=O)CN1CC(C1)C(O)=O Amb25348440 [0,1,0,1,0,0|2,0,0]=4 2132 B11R1.743 NC(=O)N1CC(CC(O)=O)C1 Amb24395536 [0,1,0,1,0,0|2,0,0]=4 2133 B11R1.1039 CC(=O)CC1(C)CC(=O)CC1 Amb25129012 [0,1,0,1,0,0|2,0,0]=4 2134 B11R1.1039 CC(=O)OC1(C)CCC(=O)O1 Amb24438445 [0,1,0,1,0,0|2,0,0]=4 2135 B11R1.1039 CC1(CC(O)=O)C=CC(=O)O1 Amb18644777 [0,1,0,1,0,0|0,0,2]=4 2136 B11R1.1039 CC1(CC(O)=O)NC(=O)CS1 Amb25685272 [0,1,0,1,0,0|2,0,0]=4 2137 B11R1.1039 CC1(CCC(=O)O1)CC(O)=O Amb24635619 [0,1,0,1,0,0|0,0,0]=2 2138 B11R1.1039 C[C@@]1(CCC(=O)O1)CC(O)=O Amb25216920 [0,1,0,1,0,0|0,0,0]=2 2139 B11R1.1039 C[C@]1(CC(O)=O)C=CC(=O)O1 Amb25108147 [0,1,0,1,0,0|0,0,2]=4 2140 B11R1.1039 OC(=O)CC1(F)C=CC(=O)O1 Amb25274093 [0,1,0,1,0,0|0,0,2]=4 2141 B11R1.1039 OC(=O)C[C@@]1(O)COC(=O)C1 Amb25065359 [0,1,0,1,0,0|2,0,0]=4 2142 B11R1.1040 NC1CCS(=O)(=O)C1C(O)=O Amb25760102 [0,1,0,1,0,0|1,0,1]=4 2143 B11R1.21 CC(=O)C1CC(=O)C(C)CC1 Amb24572172 [0,1,0,1,0,0|2,0,0]=4 2144 B11R1.21 CC1=CC(CCC1Cl)C(O)=O Amb18647872 [0,1,0,1,0,0|2,0,0]=4 2145 B11R1.21 CC1SCC(NC1=O)C(O)=O Amb23590306 [0,1,0,1,0,0|2,0,0]=4 2146 B11R1.21 C[C@@H]1CC[C@H](CC1O)C(O)=O Amb24677766 [0,1,0,1,0,0|1,0,1]=4 2147 B11R1.21 C[C@@H]1CC[C@H](C[C@H]1O)C(O)=O Amb24692813 [0,1,0,1,0,0|1,0,1]=4 2148 B11R1.21 NC(=O)C1CCC(N)C(=O)N1 Amb24707747 [0,1,0,1,0,0|2,0,0]=4 2149 B11R1.21 N[C@H]1CC[C@H](NC1=O)C(O)=O Amb25274959 [0,1,0,1,0,0|1,0,0]=3 2150 B11R1.21 OC(=O)C1CC(=O)C(O)CN1 Amb25279578 [0,1,0,1,0,0|2,0,0]=4 2151 B11R1.21 OC(=O)C1CC(=O)C(O)CO1 Amb24390226 [0,1,0,1,0,0|2,0,0]=4 2152 B11R1.21 OC(=O)C1CCC(=O)C(=O)N1 Amb24361535 [0,1,0,1,0,0|1,0,1]=4 2153 B11R1.21 OC(=O)C=1CCC(O)C(=O)C1 Amb18125930 [0,1,0,1,0,0|1,0,1]=4 2154 B11R1.21 OC(=O)[C@@H]1CC(=O)[C@@H](O)CC1 Amb25337755 [0,1,0,1,0,0|1,0,0]=3 2155 B11R1.21 OC1CC(CCC1Cl)C(O)=O Amb24484624 [0,1,0,1,0,0|1,0,1]=4 2156 B11R1.21 OC1CC(CCC1O)C(O)=O Amb25701852 [0,1,0,1,0,0|1,0,1]=4 2157 B11R1.21 O[C@H]1C[C@@H](CC[C@@H]1Cl)C(O)=O Amb24519210 [0,1,0,1,0,0|1,0,1]=4 2158 B11R1.80 CC(=O)CC1CC(C)C(=O)O1 Amb22364468 [0,1,0,1,0,0|1,0,0]=3 2159 B11R1.80 CC(=O)CC1C[C@@H](C)C(=O)O1 Amb24486324 [0,1,0,1,0,0|1,0,0]=3 2160 B11R1.80 CC(=O)CC1C[C@H](C)C(=O)O1 Amb25713684 [0,1,0,1,0,0|1,0,0]=3 2161 B11R1.80 CC1=CC(CC(O)=O)OC1=O Amb18125922 [0,1,0,1,0,0|0,0,2]=4 2162 B11R1.80 CC1CC(CC1=O)CC(O)=O Amb25733744 [0,1,0,1,0,0|1,0,0]=3 2163 B11R1.80 CN1CC(CC(O)=O)OC1=O Amb18830410 [0,1,0,1,0,0|1,0,0]=3 2164 B11R1.80 NC1CC(CC(O)=O)NC1=O Amb24559191 [0,1,0,1,0,0|1,0,0]=3 2165 B11R1.80 N[C@H]1C[C@@H](CC(O)=O)NC1=O Amb24563703 [0,1,0,1,0,0|1,0,0]=3 2166 B11R1.80 N[C@H]1C[C@H](CC(O)=O)NC1=O Amb25274953 [0,1,0,1,0,0|1,0,0]=3 2167 B11R1.80 OC(=O)C[C@@H]1C=C(F)C(=O)O1 Amb25724279 [0,1,0,1,0,0|0,0,2]=4 2168 B11R1.80 OC1CC(CC(O)=O)OC1O Amb25351438 [0,1,0,1,0,0|0,0,2]=4 2169 B11R1.80 O[C@@H]1C[C@@H](CC(O)=O)O[C@H]1O Amb24642039 [0,1,0,1,0,0|0,0,2]=4 2170 B11R1.175 CC(=O)C1CC(CO1)C(O)=O Amb24374536 [0,1,0,1,0,0|2,0,0]=4 2171 B11R1.175 CC(=O)C1CCC(C1)C(O)=O Amb24373216 [0,1,0,1,0,0|1,0,0]=3 2172 B11R1.175 CC(=O)N1CC(CC1)C(O)=O Amb18949041 [0,1,0,1,0,0|2,0,0]=4 2173 B11R1.175 CC(=O)[C@@H]1NC(CS1)C(O)=O Amb24487680 [0,1,0,1,0,0|2,0,0]=4 2174 B11R1.175 CC(=O)[C@H]1NC(CS1)C(O)=O Amb25226564 [0,1,0,1,0,0|2,0,0]=4 2175 B11R1.175 NC(=O)C1CC(CC1)C(N)=O Amb22902724 [0,1,0,1,0,0|2,0,0]=4 2176 B11R1.175 NC(=O)C1CCC(C1)C(O)=O Amb18126050 [0,1,0,1,0,0|1,0,0]=3 2177 B11R1.175 NC(=O)C1CCC(N1)C(N)=O Amb24093510 [0,1,0,1,0,0|2,0,0]=4 2178 B11R1.175 NC(=O)C1CCC(O1)C(N)=O Amb25202099 [0,1,0,1,0,0|2,0,0]=4 2179 B11R1.175 NC(=O)C1CCC(O1)C(O)=O Amb25111716 [0,1,0,1,0,0|1,0,0]=3 2180 B11R1.175 NC(=O)C1CCC(S1)C(O)=O Amb25323095 [0,1,0,1,0,0|1,0,0]=3 2181 B11R1.175 NC(=O)N1CC(CC1)C(O)=O Amb18280901 [0,1,0,1,0,0|2,0,0]=4 2182 B11R1.175 NC(=O)[C@@H]1CC[C@@H](N1)C(O)=O Amb23560440 [0,1,0,1,0,0|1,0,0]=3 2183 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(O)=O Amb24384443 [0,1,0,1,0,0|1,0,0]=3 2184 B11R1.175 NC(=O)[C@@H]1CC[C@@H](S1)C(O)=O Amb23560409 [0,1,0,1,0,0|1,0,0]=3 2185 B11R1.175 NC(=O)[C@@H]1CC[C@H](N1)C(O)=O Amb23560427 [0,1,0,1,0,0|1,0,0]=3 2186 B11R1.175 NC(=O)[C@@H]1CC[C@H](O1)C(N)=O Amb24626573 [0,1,0,1,0,0|2,0,0]=4 2187 B11R1.175 NC(=O)[C@@H]1CC[C@H](S1)C(O)=O Amb23560425 [0,1,0,1,0,0|1,0,0]=3 2188 B11R1.175 NC(=O)[C@H]1CC[C@H](N1)C(N)=O Amb25337594 [0,1,0,1,0,0|2,0,0]=4 2189 B11R1.175 NC(=O)[C@H]1CC[C@H](O1)C(O)=O Amb25143267 [0,1,0,1,0,0|1,0,0]=3 2190 B11R1.175 NC(=O)[C@H]1CC[C@H](S1)C(N)=O Amb24423844 [0,1,0,1,0,0|2,0,0]=4 2191 B11R1.175 NC(=O)[C@H]1C[C@@H](CC1)C(N)=O Amb25242806 [0,1,0,1,0,0|2,0,0]=4 2192 B11R1.175 OC(=O)C1=CCC(O1)C(O)=O Amb24565706 [0,1,0,1,0,0|0,0,2]=4 2193 B11R1.175 OC(=O)C1C=CC(O1)C(O)=O Amb24433954 [0,1,0,1,0,0|0,0,2]=4 2194 B11R1.175 OC(=O)C1CC(CO1)C(O)=O Amb23454154 [0,1,0,1,0,0|1,0,0]=3 2195 B11R1.175 OC(=O)C1CC(CS1)C(O)=O Amb18647960 [0,1,0,1,0,0|1,0,0]=3 2196 B11R1.175 OC(=O)C1CC(SS1)C(O)=O Amb24433441 [0,1,0,1,0,0|2,0,0]=4 2197 B11R1.175 OC(=O)C1CCC(C1)C(=O)O Amb2505466 [0,1,0,1,0,0|0,0,0]=2 2198 B11R1.175 OC(=O)C1CCC(O1)C(O)=O Amb18126226 [0,1,0,1,0,0|0,0,0]=2 2199 B11R1.175 OC(=O)C1SCC(N1)C(=O)O Amb2421539 [0,1,0,1,0,0|1,0,0]=3 2200 B11R1.175 OC(=O)C=1CC(CC1)C(O)=O Amb24365900 [0,1,0,1,0,0|0,0,2]=4 2201 B11R1.175 OC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Amb17620468 [0,1,0,1,0,0|0,0,0]=2 2202 B11R1.175 OC(=O)[C@@H]1CC[C@@H](S1)C(O)=O Amb23560340 [0,1,0,1,0,0|0,0,0]=2 2203 B11R1.175 OC(=O)[C@@H]1CC[C@H](N1)C(O)=O Amb25174831 [0,1,0,1,0,0|0,0,0]=2 2204 B11R1.175 OC(=O)[C@@H]1CC[C@H](S1)C(O)=O Amb23560341 [0,1,0,1,0,0|0,0,0]=2 2205 B11R1.175 OC(=O)[C@@H]1COC(N1)C(O)=O Amb24375687 [0,1,0,1,0,0|1,0,0]=3 2206 B11R1.175 OC(=O)[C@@H]1C[C@@H](CN1)C(O)=O Amb22262950 [0,1,0,1,0,0|1,0,0]=3 2207 B11R1.175 OC(=O)[C@@H]1C[C@@H](CS1)C(O)=O Amb24692652 [0,1,0,1,0,0|1,0,0]=3 2208 B11R1.175 OC(=O)[C@@H]1C[C@H](CC1)C(O)=O Amb22744933 [0,1,0,1,0,0|0,0,0]=2 2209 B11R1.175 OC(=O)[C@@H]1C[C@H](CN1)C(O)=O Amb19930523 [0,1,0,1,0,0|1,0,0]=3 2210 B11R1.175 OC(=O)[C@@H]1C[C@H](CS1)C(O)=O Amb25295506 [0,1,0,1,0,0|1,0,0]=3 2211 B11R1.175 OC(=O)[C@@H]1C[C@H](NN1)C(O)=O Amb24626610 [0,1,0,1,0,0|2,0,0]=4 2212 B11R1.175 OC(=O)[C@@H]1SC[C@H](N1)C(=O)O Amb16203732 [0,1,0,1,0,0|1,0,0]=3 2213 B11R1.175 OC(=O)[C@H]1CC(CN1)C(O)=O Amb25701728 [0,1,0,1,0,0|1,0,0]=3 2214 B11R1.175 OC(=O)[C@H]1CC[C@@H](O1)C(O)=O Amb25241964 [0,1,0,1,0,0|0,0,0]=2 2215 B11R1.175 OC(=O)[C@H]1CC[C@@H](S1)C(O)=O Amb24611890 [0,1,0,1,0,0|0,0,0]=2 2216 B11R1.175 OC(=O)[C@H]1CC[C@H](N1)C(O)=O Amb24538157 [0,1,0,1,0,0|0,0,0]=2 2217 B11R1.175 OC(=O)[C@H]1CO[C@H](O1)C(O)=O Amb24584796 [0,1,0,1,0,0|1,0,0]=3 2218 B11R1.175 OC(=O)[C@H]1CSC(N1)C(O)=O Amb24759082 [0,1,0,1,0,0|1,0,0]=3 2219 B11R1.175 OC(=O)[C@H]1CS[C@@H](N1)C(O)=O Amb24635691 [0,1,0,1,0,0|1,0,0]=3 2220 B11R1.175 OC(=O)[C@H]1CS[C@H](N1)C(O)=O Amb25179305 [0,1,0,1,0,0|1,0,0]=3 2221 B11R1.175 OC(=O)[C@H]1C[C@@H](CN1)C(O)=O Amb24559908 [0,1,0,1,0,0|1,0,0]=3 2222 B11R1.175 OC(=O)[C@H]1C[C@@H](NN1)C(O)=O Amb24061688 [0,1,0,1,0,0|2,0,0]=4 2223 B11R1.175 OC(=O)[C@H]1C[C@H](NN1)C(O)=O Amb24061689 [0,1,0,1,0,0|2,0,0]=4 2224 B11R1.175 OC(=O)[C@H]1C[C@H](SS1)C(O)=O Amb25101012 [0,1,0,1,0,0|2,0,0]=4 2225 B11R1.175 [C@H]1(CSC(N1)C(O)=O)C(O)=O Amb17872022 [0,1,0,1,0,0|1,0,0]=3 2226 B11R1.175 [O-][N+](=O)C1CC(CC1)C(O)=O Amb25212728 [0,1,0,1,0,0|1,0,1]=4 2227 B11R1.314 CC(=C)C(O)C1CCC(=O)O1 Amb24502025 [0,1,0,1,0,0|2,0,0]=4 2228 B11R1.314 CC(=O)C(=C)C1CCC(=O)O1 Amb24380776 [0,1,0,1,0,0|1,0,1]=4 2229 B11R1.314 CC(C(O)=O)N1CC(=O)CC1 Amb25294232 [0,1,0,1,0,0|2,0,0]=4 2230 B11R1.314 CC(C1CC(O)CC1)C(O)=O Amb24639274 [0,1,0,1,0,0|1,0,1]=4 2231 B11R1.314 CC(C1CCC(=O)N1)C(O)=O Amb24741902 [0,1,0,1,0,0|1,0,0]=3 2232 B11R1.314 CC(C1CCC(=O)O1)C(O)=O Amb25249128 [0,1,0,1,0,0|0,0,0]=2 2233 B11R1.314 CC(C1CNC(=O)C1)C(O)=O Amb24697093 [0,1,0,1,0,0|2,0,0]=4 2234 B11R1.314 CC1CCC(O1)C(N)C(O)=O Amb24390378 [0,1,0,1,0,0|1,0,1]=4 2235 B11R1.314 C[C@@H]1CC[C@H](O1)C(C)C(O)=O Amb24601845 [0,1,0,1,0,0|1,0,1]=4 2236 B11R1.314 C[C@H]([C@@H]1CCC(=O)C1)C(O)=O Amb24580212 [0,1,0,1,0,0|1,0,0]=3 2237 B11R1.314 C[C@H]([C@H]1CCC(=O)C1)C(O)=O Amb24635654 [0,1,0,1,0,0|1,0,0]=3 2238 B11R1.314 N[C@H](C1CCC(=O)C1)C(O)=O Amb25148224 [0,1,0,1,0,0|1,0,0]=3 2239 B11R1.314 N[C@H]([C@@H]1CCC(=O)O1)C(O)=O Amb24511954 [0,1,0,1,0,0|0,0,0]=2 2240 B11R1.314 OC(=O)C(F)C1C=CC(=O)O1 Amb25245697 [0,1,0,1,0,0|0,0,2]=4 2241 B11R1.314 OC(=O)C(O)C1C=CC(=O)O1 Amb24355325 [0,1,0,1,0,0|0,0,2]=4 2242 B11R1.314 OC(=O)C(O)C1CCC(=O)O1 Amb24691407 [0,1,0,1,0,0|0,0,0]=2 2243 B11R1.314 OC(=O)[C@@H](Cl)[C@H]1C=CC(=O)O1 Amb24551907 [0,1,0,1,0,0|0,0,2]=4 2244 B11R1.667 CC(=O)C1(O)CCCC(=O)O1 Amb24633475 [0,1,0,1,0,0|1,0,0]=3 2245 B11R1.667 CC1(CC(=O)CCN1)C(O)=O Amb24615760 [0,1,0,1,0,0|2,0,0]=4 2246 B11R1.667 CC1(CC(O)CCC1)C(O)=O Amb24356065 [0,1,0,1,0,0|1,0,1]=4 2247 B11R1.667 CC1(CCCC(=C)C1)C(O)=O Amb18125760 [0,1,0,1,0,0|2,0,0]=4 2248 B11R1.667 CC1(CCCC(=O)N1)C(O)=O Amb23590303 [0,1,0,1,0,0|1,0,0]=3 2249 B11R1.667 CC1CCCC(C)(O1)C(O)=O Amb18645016 [0,1,0,1,0,0|1,0,1]=4 2250 B11R1.667 C[C@@]1(CC(=O)CCC1)C(O)=O Amb25138624 [0,1,0,1,0,0|1,0,0]=3 2251 B11R1.667 C[C@@]1(C[C@@H](O)CCC1)C(O)=O Amb24540831 [0,1,0,1,0,0|1,0,1]=4 2252 B11R1.667 C[C@]1(CC(=O)CCC1)C(O)=O Amb25299471 [0,1,0,1,0,0|1,0,0]=3 2253 B11R1.667 NC1(CC(=O)CCC1)C(O)=O Amb23560233 [0,1,0,1,0,0|1,0,0]=3 2254 B11R1.667 N[C@@]1(C[C@@H](O)CCC1)C(O)=O Amb25264396 [0,1,0,1,0,0|1,0,1]=4 2255 B11R1.667 N[C@@]1(C[C@H](O)CCC1)C(O)=O Amb25377812 [0,1,0,1,0,0|1,0,1]=4 2256 B11R1.667 N[C@]1(C[C@H](O)CCC1)C(O)=O Amb25288503 [0,1,0,1,0,0|1,0,1]=4 2257 B11R1.667 OC(=O)C1(O)CC(=O)CCC1 Amb25054532 [0,1,0,1,0,0|1,0,0]=3 2258 B11R1.704 NC(C1CC1C(O)=O)C(O)=O Amb24447417 [0,1,0,1,0,0|0,0,0]=2 2259 B11R1.704 NC(C1C[C@@H]1C(O)=O)C(O)=O Amb25689113 [0,1,0,1,0,0|0,0,0]=2 2260 B11R1.704 N[C@@H](C1CC1C(O)=O)C(O)=O Amb25794472 [0,1,0,1,0,0|0,0,0]=2 2261 B11R1.704 N[C@@H]([C@@H]1CC1C(O)=O)C(O)=O Amb24512148 [0,1,0,1,0,0|0,0,0]=2 2262 B11R1.704 N[C@@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb22352678 [0,1,0,1,0,0|0,0,0]=2 2263 B11R1.704 N[C@@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25210847 [0,1,0,1,0,0|0,0,0]=2 2264 B11R1.704 N[C@@H]([C@H]1CC1C(O)=O)C(O)=O Amb25273752 [0,1,0,1,0,0|0,0,0]=2 2265 B11R1.704 N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O Amb19930360 [0,1,0,1,0,0|0,0,0]=2 2266 B11R1.704 N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb22388556 [0,1,0,1,0,0|0,0,0]=2 2267 B11R1.704 N[C@H]([C@@H]1CC1C(O)=O)C(O)=O Amb25274088 [0,1,0,1,0,0|0,0,0]=2 2268 B11R1.704 N[C@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb25274089 [0,1,0,1,0,0|0,0,0]=2 2269 B11R1.704 N[C@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25242512 [0,1,0,1,0,0|0,0,0]=2 2270 B11R1.704 N[C@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb24692814 [0,1,0,1,0,0|0,0,0]=2 2271 B11R1.723 CC(=C)C1CC[C@]1(C)C(O)=O Amb24390873 [0,1,0,1,0,0|2,0,0]=4 2272 B11R1.723 CC(=O)C1CCC1(C)C(O)=O Amb25858072 [0,1,0,1,0,0|1,0,0]=3 2273 B11R1.723 CC(=O)[C@]1(C)CC[C@H]1C(C)=O Amb25179588 [0,1,0,1,0,0|2,0,0]=4 2274 B11R1.723 CC1(C=CC1C(O)=O)C(O)=O Amb24650921 [0,1,0,1,0,0|0,0,2]=4 2275 B11R1.723 NC1(CCC1C(O)=O)C(O)=O Amb24381448 [0,1,0,1,0,0|0,0,0]=2 2276 B11R1.927 NC(=O)CC1CC1(N)C(O)=O Amb25738018 [0,1,0,1,0,0|1,0,0]=3 2277 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb19148343 [0,1,0,1,0,0|0,0,0]=2 2278 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb25321870 [0,1,0,1,0,0|0,0,0]=2 2279 B11R1.927 N[C@]1(C[C@H]1CC(O)=O)C(O)=O Amb25179270 [0,1,0,1,0,0|0,0,0]=2 2280 B11R1.1386 CC1(O)CCCC1(C)C(O)=O Amb18126142 [0,1,0,1,0,0|1,0,1]=4 2281 B11R2.66 O=C1CC2C(C1)CCC2=O Amb25735878 [0,0,0,2,0,0|2,0,0]=4 2282 B11R2.66 O=C1CC2CCC(=O)N2C1 Amb24422098 [0,0,0,2,0,0|2,0,0]=4 2283 B11R2.66 O=C1C[C@H]2CCC(=O)[C@H]2O1 Amb25288519 [0,0,0,2,0,0|1,0,0]=3 2284 B11R2.66 O=C1C[C@H]2[C@@H](C1)CCC2=O Amb25377838 [0,0,0,2,0,0|2,0,0]=4 2285 B11R2.139 O=C1CC2CC(=O)CC2C1 Amb21520316 [0,0,0,2,0,0|2,0,0]=4 2286 B11R2.139 O=C1CC2OC(=O)CC2C1 Amb24691720 [0,0,0,2,0,0|1,0,0]=3 2287 B11R2.139 O=C1C[C@H]2CC(=O)C[C@@H]2C1 Amb25347475 [0,0,0,2,0,0|2,0,0]=4 2288 B11R2.139 OC=1CC2CC(=O)CC2C1 Amb25298537 [0,0,0,2,0,0|2,0,0]=4 2289 B11R2.139 O[C@@H]1C[C@@H]2CC(=O)O[C@@H]2C1 Amb22801805 [0,0,0,2,0,0|1,0,1]=4 2290 B11R2.139 O[C@@H]1C[C@H]2CC(=O)O[C@H]2C1 Amb24563936 [0,0,0,2,0,0|1,0,1]=4 2291 B11R2.139 [C@@H]12CC(=O)C[C@@H]1CC(=O)C2 Amb17779325 [0,0,0,2,0,0|2,0,0]=4 2292 B11R2.434 O=C1CC2CC(C1)NC2=O Amb23596884 [0,0,0,2,0,0|2,0,0]=4 2293 B11R2.530 OC(=O)C1C2C1CCC2=O Amb25263963 [0,0,0,2,0,0|1,0,0]=3 2294 B11R2.530 OC(=O)[C@@H]1C2C1CCC2=O Amb24542701 [0,0,0,2,0,0|1,0,0]=3 2295 B11R2.530 OC(=O)[C@H]1[C@H]2[C@@H]1CCC2=O Amb25174904 [0,0,0,2,0,0|1,0,0]=3 2296 B11R2.530 OC1CCC2C1C2C(O)=O Amb25378714 [0,0,0,2,0,0|1,0,1]=4 2297 B11R2.845 OC(=O)C1CC2CCC1O2 Amb18202638 [0,0,0,2,0,0|1,0,1]=4 2298 B11R2.845 OC(=O)[C@@H]1CC2CCC1O2 Amb24480795 [0,0,0,2,0,0|1,0,1]=4 2299 B11R2.845 OC(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 Amb24120328 [0,0,0,2,0,0|1,0,1]=4 2300 B11R2.845 OC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 Amb19334556 [0,0,0,2,0,0|1,0,1]=4 2301 B11R2.845 OC(=O)[C@H]1C[C@H]2CC[C@@H]1O2 Amb24681023 [0,0,0,2,0,0|1,0,1]=4 2302 B11R2.845 OC(=O)[C@H]1C[C@H]2CC[C@H]1O2 Amb25230625 [0,0,0,2,0,0|1,0,1]=4 2303 B11R2.839 OC(=O)C1CC2OC2CC1 Amb22274789 [0,0,0,2,0,0|1,0,1]=4 2304 B11R2.839 OC(=O)C1CC2OC2CC1 Amb24671302 [0,0,0,2,0,0|1,0,1]=4 2305 B11R2.839 OC(=O)[C@H]1C[C@@H]2OC2CC1 Amb24514915 [0,0,0,2,0,0|1,0,1]=4 2306 B11R2.839 OC(=O)[C@H]1C[C@@H]2O[C@@H]2CC1 Amb25366365 [0,0,0,2,0,0|1,0,1]=4 2307 B11R2.136 O=C1CC(C1)C2CC(=O)C2 Amb24584505 [0,0,0,2,0,0|2,0,0]=4 2308 B11R2.706 CC(=O)C1CC12CC(=O)O2 Amb24524369 [0,0,0,2,0,0|1,0,0]=3 2309 B11R2.47 O=C1C[C@@H]2CC[C@H]1CC2=O Amb25315052 [0,0,0,2,0,0|2,0,0]=4 2310 B11R2.47 O=C1C[C@H]2CC[C@@H]1CC2=O Amb24545673 [0,0,0,2,0,0|2,0,0]=4 2311 B11R2.47 O=C1N[C@H]2CC[C@@H]1NC2=O Amb24514999 [0,0,0,2,0,0|2,0,0]=4 2312 B11R2.47 OC1CC2CCC1OC2=O Amb25128536 [0,0,0,2,0,0|1,0,1]=4 2313 B11R2.411 O=C1CC2CC2(N1)C(=O)Cl Amb24591156 [0,0,0,2,0,0|2,0,0]=4 2314 B11R2.411 OC(=O)C12CC1CC(=O)N2 Amb24480704 [0,0,0,2,0,0|1,0,0]=3 2315 B7R0.6 C=C(Br)CCC(O)=O Amb18648212 [0,0,0,0,2,0|2,0,0]=4 2316 B7R0.6 C=C(Cl)CCC(O)=O Amb18642971 [0,0,0,0,2,0|2,0,0]=4 2317 B7R0.6 C=C(F)CCC(O)=O Amb25141041 [0,0,0,0,2,0|2,0,0]=4 2318 B7R0.6 CC(=C)CCC(O)=O Amb18641793 [0,0,0,0,2,0|2,0,0]=4 2319 B7R0.6 CC(=O)CCC(=O)Cl Amb17142859 [0,0,0,0,2,0|2,0,0]=4 2320 B7R0.6 CC(=O)CCC(=O)N Amb17142854 [0,0,0,0,2,0|2,0,0]=4 2321 B7R0.6 CC(=O)CCC([O-])=O Amb22350071 [0,0,0,0,2,0|1,0,1]=4 2322 B7R0.6 CC(=O)CCP(O)=O Amb24647699 [0,0,0,0,2,0|2,0,0]=4 2323 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,0,0,0,2,0|2,0,0]=4 2324 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,0,0,0,2,0|2,0,0]=4 2325 B7R0.6 CC(=O)SCC(=O)O Amb17607669 [0,0,0,0,2,0|2,0,0]=4 2326 B7R0.6 CC(O)CCC(O)=O Amb18294804 [0,0,0,0,2,0|1,0,1]=4 2327 B7R0.6 CS(=O)CCC(O)=O Amb18523762 [0,0,0,0,2,0|2,0,0]=4 2328 B7R0.6 NC(=N)CCC(O)=O Amb25736788 [0,0,0,0,2,0|2,0,0]=4 2329 B7R0.6 NC(=O)CCC(=O)N Amb1353209 [0,0,0,0,2,0|2,0,0]=4 2330 B7R0.6 NC(=O)CCP(O)=O Amb25840251 [0,0,0,0,2,0|2,0,0]=4 2331 B7R0.6 NC(=O)CNC(O)=O Amb24705097 [0,0,0,0,2,0|2,0,0]=4 2332 B7R0.6 NC(=O)NCC(=O)O Amb16205895 [0,0,0,0,2,0|2,0,0]=4 2333 B7R0.6 NC(=O)OCC(O)=O Amb25777061 [0,0,0,0,2,0|2,0,0]=4 2334 B7R0.6 NC(=O)SCC(O)=O Amb24640543 [0,0,0,0,2,0|2,0,0]=4 2335 B7R0.6 NC(=S)CCC(O)=O Amb18102382 [0,0,0,0,2,0|1,1,0]=4 2336 B7R0.6 O=C(F)CCC(=O)F Amb24483270 [0,0,0,0,2,0|2,0,0]=4 2337 B7R0.6 OB(O)CCC(O)=O Amb24640288 [0,0,0,0,2,0|1,0,1]=4 2338 B7R0.6 OC(=O)C=CC(O)=O Amb22487311 [0,0,0,0,2,0|0,0,2]=4 2339 B7R0.6 OC(=O)C=CC(O)=O Amb22487315 [0,0,0,0,2,0|0,0,2]=4 2340 B7R0.6 OC(=O)CCC(=O)Cl Amb17593468 [0,0,0,0,2,0|1,0,0]=3 2341 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [0,0,0,0,2,0|0,0,0]=2 2342 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [0,0,0,0,2,0|0,0,0]=2 2343 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [0,0,0,0,2,0|0,0,0]=2 2344 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [0,0,0,0,2,0|0,0,0]=2 2345 B7R0.6 OC(=O)CNC(=O)Cl Amb25277149 [0,0,0,0,2,0|2,0,0]=4 2346 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [0,0,0,0,2,0|0,0,0]=2 2347 B7R0.6 OC(=O)SCC(O)=O Amb24699018 [0,0,0,0,2,0|1,0,0]=3 2348 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [0,0,0,0,2,0|0,0,0]=2 2349 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [0,0,0,0,2,0|0,0,0]=2 2350 B7R0.6 OC(=O)\C=C/C(O)=O Amb22274309 [0,0,0,0,2,0|0,0,2]=4 2351 B7R0.6 OC(=O)\C=C/C(O)=O Amb22350132 [0,0,0,0,2,0|0,0,2]=4 2352 B7R0.6 OC(=O)\C=C\C(=O)O Amb10072561 [0,0,0,0,2,0|0,0,2]=4 2353 B7R0.6 OC(=O)\C=C\C(O)=O Amb22336584 [0,0,0,0,2,0|0,0,2]=4 2354 B7R0.6 OC(=O)\C=C\C(O)=O Amb22352586 [0,0,0,0,2,0|0,0,2]=4 2355 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353441 [0,0,0,0,2,0|0,0,2]=4 2356 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353537 [0,0,0,0,2,0|0,0,2]=4 2357 B7R0.6 OC(=O)\C=C\C(O)=O Amb22360655 [0,0,0,0,2,0|0,0,2]=4 2358 B7R0.6 OC(=O)\[13CH]=[13CH]\C(O)=O Amb22363150 [0,0,0,0,2,0|0,0,2]=4 2359 B7R0.6 OC(=O)\[14CH]=[14CH]/C(O)=O Amb22352435 [0,0,0,0,2,0|0,0,2]=4 2360 B7R0.6 OC(=S)CCC(O)=O Amb24586272 [0,0,0,0,2,0|0,1,0]=3 2361 B7R0.6 OC(O)CCC(O)=O Amb25762802 [0,0,0,0,2,0|0,0,2]=4 2362 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [0,0,0,0,2,0|0,0,0]=2 2363 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [0,0,0,0,2,0|0,0,0]=2 2364 B7R0.6 O[13C](=O)\[13CH]=[13CH]\[13C](O)=O Amb22055283 [0,0,0,0,2,0|0,0,2]=4 2365 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [0,0,0,0,2,0|0,0,0]=2 2366 B7R0.6 [13CH3][13C](=O)[13CH2]CC(O)=O Amb22056002 [0,0,0,0,2,0|1,0,0]=3 2367 B7R0.6 [O-]C(=O)CCC(O)=O Amb22730137 [0,0,0,0,2,0|0,0,1]=3 2368 B7R0.6 [O-]C(=O)CCC(O)=O Amb22733837 [0,0,0,0,2,0|0,0,1]=3 2369 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22230230 [0,0,0,0,2,0|0,0,2]=4 2370 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22330623 [0,0,0,0,2,0|0,0,2]=4 2371 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22360668 [0,0,0,0,2,0|0,0,2]=4 2372 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22731284 [0,0,0,0,2,0|0,0,2]=4 2373 B7R0.6 [O-][N+](=O)CCC(=O)O Amb10843224 [0,0,0,0,2,0|1,0,1]=4 2374 B11R0.30 CC(=O)CCCCCCC(C)=O Amb21962685 [0,0,0,0,0,2|2,0,0]=4 2375 B11R0.30 CC(=O)SCCCCCC(O)=O Amb22337829 [0,0,0,0,0,2|1,0,0]=3 2376 B11R0.30 CC(=O)SCCCCSC(C)=O Amb22336720 [0,0,0,0,0,2|2,0,0]=4 2377 B11R0.30 NC(=N)NCCCCCC(O)=O Amb20621391 [0,0,0,0,0,2|2,0,0]=4 2378 B11R0.30 NC(=O)CCSSCCC(=O)N Amb2405304 [0,0,0,0,0,2|2,0,0]=4 2379 B11R0.30 O=C(Cl)CCSSCCC(=O)Cl Amb24090125 [0,0,0,0,0,2|2,0,0]=4 2380 B11R0.30 O=C(Cl)COCCOCC(=O)Cl Amb22233495 [0,0,0,0,0,2|2,0,0]=4 2381 B11R0.30 O=C(Cl)OCCCCOC(=O)Cl Amb22360630 [0,0,0,0,0,2|2,0,0]=4 2382 B11R0.30 OC(=O)C#CCCC#CC(O)=O Amb22364981 [0,0,0,0,0,2|0,0,2]=4 2383 B11R0.30 OC(=O)CC#CC#CCC(O)=O Amb24657133 [0,0,0,0,0,2|0,0,2]=4 2384 B11R0.30 OC(=O)CCCCCNC(=O)C Amb1208026 [0,0,0,0,0,2|1,0,0]=3 2385 B11R0.30 OC(=O)CCNCCCC(=O)O Amb10606894 [0,0,0,0,0,2|0,0,0]=2 2386 B11R0.30 OC(=O)CCSCCCC(=O)O Amb17501237 [0,0,0,0,0,2|0,0,0]=2 2387 B11R0.30 O[13C](=O)CC\C=C\CC[13C](=O)O Amb17618814 [0,0,0,0,0,2|0,0,0]=2 2388 B11R0.30 [O-]C(=O)CCSSCCC([O-])=O Amb22338299 [0,0,0,0,0,2|0,0,2]=4