0 B7R0.6 CC(=O)CCC(=O)O HR127576 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=O)CCC(=O)[O-] HR143916 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.6 CC(=O)CCC(C)=O HR125376 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 CC(=O)CNC(C)=O HR146276 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(=O)COC(C)=O HR123551 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 CC(=O)NCC(=O)O HR138579 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(=O)NNC(C)=O HR131799 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.6 CC(=O)OCC(=O)Cl HR135462 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 CC(=O)OCC(=O)O HR120464 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.6 CC(=O)\C=C\C(C)C HR142759 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 CC(C)=CC=C(C)C HR147224 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.6 CC(C)=CC=C(Cl)Cl HR111834 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.6 CC(C)=CCC(=O)O HR108591 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.6 CC(C)\C=C\C(=O)[O-] HR107648 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.6 N=C(N)NCC(=O)O HR123411 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.6 N=C(N)SCC(=O)O HR122670 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.6 N=C(N)SCC(=O)O HR134877 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 NC(=O)C#CC(N)=O HR100095 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.6 NC(=O)NNC(N)=O HR101767 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.6 NC(=O)NNC(N)=O HR124898 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.6 NC(=O)\C=C\C(=O)O HR128108 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.6 NC(=O)\C=C\C(N)=O HR101772 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.6 NC(=O)\N=N\C(N)=O HR147577 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.6 O=C(O)C#CC(=O)O HR129033 [0,0,0,0,0,0|0,0,2]=2 24 B7R0.6 O=C(O)CCC(=O)O HR128111 [0,0,0,0,0,0|0,0,2]=2 25 B7R0.6 O=C(O)CCC(=O)O HR135208 [0,0,0,0,0,0|0,0,2]=2 26 B7R0.6 O=C(O)CC[N+](=O)[O-] HR32205 [0,0,0,0,0,0|1,0,3]=4 27 B7R0.6 O=C(O)\C=C\C(=O)O AVCQ00606 [0,0,0,0,0,0|0,0,0]=0 28 B7R0.6 O=C(O)\C=C\C(=O)O HR130667 [0,0,0,0,0,0|0,0,0]=0 29 B7R0.6 O=C(O)\C=C\C(=O)O HR144505 [0,0,0,0,0,0|0,0,0]=0 30 B7R0.6 O=C([O-])C#CC(=O)O HR129812 [0,0,0,0,0,0|0,0,3]=3 31 B7R0.6 O=C([O-])CCC(=O)[O-] HR137845 [0,0,0,0,0,0|0,0,4]=4 32 B7R0.6 O=C([O-])CCC(=O)[O-] HR138100 [0,0,0,0,0,0|0,0,4]=4 33 B7R0.6 O=C([O-])CCC(=O)[O-] HR138359 [0,0,0,0,0,0|0,0,4]=4 34 B7R0.6 O=C([O-])OOC(=O)[O-] HR147718 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.6 O=C([O-])\C=C\C(=O)O HR126362 [0,0,0,0,0,0|0,0,1]=1 36 B7R0.6 O=C([O-])\C=C\C(=O)O HR126685 [0,0,0,0,0,0|0,0,1]=1 37 B7R0.6 O=C([O-])\C=C\C(=O)O HR136832 [0,0,0,0,0,0|0,0,1]=1 38 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR100090 [0,0,0,0,0,0|0,0,2]=2 39 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR101400 [0,0,0,0,0,0|0,0,2]=2 40 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR108567 [0,0,0,0,0,0|0,0,2]=2 41 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR141890 [0,0,0,0,0,0|0,0,2]=2 42 B6R0.4 C=CCCC(=O)O HR128583 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.4 CN(C)\C=C\C=O HR126291 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 CO\C=C\C(C)=O HR138997 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 O=C(O)C#CCO HR112666 [1,0,0,0,0,0|0,0,3]=4 46 B6R0.4 O=CCCC(=O)O HR134907 [1,0,0,0,0,0|0,0,2]=3 47 B8R0.9 COC(=O)CCC(=O)Cl HR123462 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.9 COC(=O)CCC(=O)[O-] HR138200 [0,1,0,0,0,0|0,0,3]=4 49 B8R0.9 COC(=O)\C=C\C(=O)O MOJB01402 [0,1,0,0,0,0|0,0,0]=1 50 B8R0.9 COC(=O)\C=C\C(=O)[O-] HR129866 [0,1,0,0,0,0|0,0,1]=2 51 B8R0.9 COC(=O)\C=C\C(=O)[O-] MOJB014 [0,1,0,0,0,0|0,0,1]=2 52 B8R0.9 COC(=O)\C=C\N(C)C HR127150 [0,1,0,0,0,0|3,0,0]=4 53 B8R0.9 NCC(=O)CCC(=O)O HR115792 [0,1,0,0,0,0|1,0,2]=4 54 B8R0.9 NCC(=O)CCC(=O)O HR124289 [0,1,0,0,0,0|1,0,2]=4 55 B8R0.9 NCC(=O)NCC(=O)O HR100015 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.9 NNC(=O)\C=C\C(=O)O HR123077 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.23 C=C(CC(=O)O)C(=O)O HR123624 [0,1,0,0,0,0|0,0,1]=2 58 B8R0.23 CC(=O)NC(C)C(=O)O HR123754 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.23 CC(=O)NC(C)C(=O)O HR130455 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.23 CC(=O)NC(C)C(=O)O HR139475 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.23 CC(=O)OC(C)C(=O)O HR114068 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.23 CC(=O)OC(C)C(=O)O HR117573 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.23 CC(CC(=O)O)C(=O)O HR106543 [0,1,0,0,0,0|0,0,2]=3 64 B8R0.23 CC(CC(=O)O)C(=O)O HR134361 [0,1,0,0,0,0|0,0,2]=3 65 B8R0.23 C\C(=C/C(=O)O)C(=O)O HR122671 [0,1,0,0,0,0|0,0,0]=1 66 B8R0.23 C\C(=C/C(=O)O)C(=O)O HR122936 [0,1,0,0,0,0|0,0,0]=1 67 B8R0.23 NC(=O)C(N)CC(=O)O HR124658 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.23 NC(=O)CC(N)C(=O)O HR128740 [0,1,0,0,0,0|1,0,2]=4 69 B8R0.23 NC(=O)CC(N)C(=O)O HR129004 [0,1,0,0,0,0|1,0,2]=4 70 B8R0.23 NC(=O)CC(N)C(=O)O HR129935 [0,1,0,0,0,0|1,0,2]=4 71 B8R0.23 NC(=O)CC(N)C(=O)O HR133228 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.23 NC(=O)CC(N)C(=O)O HR133501 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.23 NC(CC(=O)O)C(=O)O HR126814 [0,1,0,0,0,0|0,0,2]=3 74 B8R0.23 NC(CC(=O)O)C(=O)O HR135475 [0,1,0,0,0,0|0,0,2]=3 75 B8R0.23 NC(CC(=O)O)C(=O)O TECQ02802 [0,1,0,0,0,0|0,0,2]=3 76 B8R0.23 NC(CC(=O)[O-])C(=O)O HR125029 [0,1,0,0,0,0|0,0,3]=4 77 B8R0.23 O=C(O)CC(=O)C(=O)O HR132056 [0,1,0,0,0,0|0,0,1]=2 78 B8R0.23 O=C(O)CC(Br)C(=O)O HR127726 [0,1,0,0,0,0|0,0,2]=3 79 B8R0.23 O=C(O)CC(Br)C(=O)O HR127823 [0,1,0,0,0,0|0,0,2]=3 80 B8R0.23 O=C(O)CC(Cl)C(=O)O HR109410 [0,1,0,0,0,0|0,0,2]=3 81 B8R0.23 O=C(O)CC(O)C(=O)O HR129431 [0,1,0,0,0,0|0,0,2]=3 82 B8R0.23 O=C(O)CC(O)C(=O)O HR131010 [0,1,0,0,0,0|0,0,2]=3 83 B8R0.23 O=C(O)CC(O)C(=O)O HR135274 [0,1,0,0,0,0|0,0,2]=3 84 B8R0.23 O=C(O)CC(O)C(=O)O HR7917 [0,1,0,0,0,0|0,0,2]=3 85 B8R0.23 O=C(O)CC(S)C(=O)O HR123669 [0,1,0,0,0,0|0,0,2]=3 86 B8R0.29 O=C(O)CCP(=O)(O)O HR121966 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.29 O=C(O)\C=C\C(F)(F)F HR137779 [0,1,0,0,0,0|2,0,1]=4 88 B8R1.3 CC1=CC=C(O)C=N1 HR123018 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.3 CC1=CN=C(O)C=C1 HR127832 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.3 CC1=CN=C(O)C=C1 HR14321 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.3 CC1=NNC(=O)C=C1 HR125138 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.3 Cc1ccc(O)cc1 HR128349 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.3 NC1=CC=C(O)C=C1 DOXF02203 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.3 NC1=CC=C(O)C=N1 HR104751 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.3 NC1=CC=C(O)C=N1 HR136765 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.3 NC1=CN=C(O)C=C1 HR104123 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.3 NC1=CN=C(O)C=C1 HR6563 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.3 O=C1C=CC(=O)C=C1 HR129503 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.3 O=C1C=CC(=O)C=C1 HR14592 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.3 OC1=CC=C(Br)C=C1 HR146620 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.3 OC1=CC=C(Cl)C=C1 HR147432 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.3 OC1=CC=C(Cl)N=N1 HR117029 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.3 OC1=CC=C(F)C=C1 HR138117 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.3 OC1=CC=C(I)C=C1 HR3199 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.3 OC1=CC=C(S)C=C1 HR135276 [0,0,0,1,0,0|2,1,0]=4 106 B8R1.3 OC1=CN=C(Br)C=C1 HR125117 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.3 OC1=CN=C(Cl)C=C1 HR130615 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.3 OC1=CN=C(F)C=C1 HR6321 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.3 OC1=CN=C(I)C=C1 HR115833 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.3 OC1=NC=C(Br)C=C1 HR126401 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.3 OC1=NC=C(Cl)C=C1 HR135593 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.3 OC1=NC=C(F)C=C1 HR137792 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.3 OC1=NC=C(I)C=C1 HR137857 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.23 O=C1CC(C(=O)O)C1 HR14220 [0,0,0,1,0,0|1,0,2]=4 115 B6R0.2 CC(=O)CC(=O)[O-] HR126081 [0,0,0,0,1,0|1,0,2]=4 116 B6R0.2 CC(=O)CC(C)=O AVJB01201 [0,0,0,0,1,0|2,0,1]=4 117 B6R0.2 CC(=O)CC(C)=O CUSA07105 [0,0,0,0,1,0|2,0,1]=4 118 B6R0.2 CC(=O)CC(C)=O HR108604 [0,0,0,0,1,0|2,0,1]=4 119 B6R0.2 CC(=O)CC(N)=O HR125580 [0,0,0,0,1,0|2,0,1]=4 120 B6R0.2 CC(=O)OC(C)=O NASA01407 [0,0,0,0,1,0|3,0,0]=4 121 B6R0.2 CC(=O)\C=C(/C)N HR105871 [0,0,0,0,1,0|3,0,0]=4 122 B6R0.2 CC(=O)\C=C(\C)[O-] HR100501 [0,0,0,0,1,0|2,0,1]=4 123 B6R0.2 CC(=O)\C=C(\C)[O-] HR107173 [0,0,0,0,1,0|2,0,1]=4 124 B6R0.2 CC(=O)\C=C(\C)[O-] HR113781 [0,0,0,0,1,0|2,0,1]=4 125 B6R0.2 CC(=O)\C=C(\C)[O-] HR117143 [0,0,0,0,1,0|2,0,1]=4 126 B6R0.2 CC(C)=CC(=O)Cl HR129281 [0,0,0,0,1,0|3,0,0]=4 127 B6R0.2 CC(C)=CC(=O)O HR21295 [0,0,0,0,1,0|2,0,0]=3 128 B6R0.2 NC(=O)CC(N)=O HR138203 [0,0,0,0,1,0|2,0,1]=4 129 B6R0.2 NC(=O)NC(N)=O HR130501 [0,0,0,0,1,0|3,0,0]=4 130 B6R0.2 O=C(O)CC(=O)O DACQ01002 [0,0,0,0,1,0|0,0,1]=2 131 B6R0.2 O=C(O)CC(=O)O HR144418 [0,0,0,0,1,0|0,0,1]=2 132 B6R0.2 O=C([O-])CC(=O)[O-] HR125830 [0,0,0,0,1,0|0,0,3]=4 133 B6R0.2 O=C([O-])CC(=O)[O-] HR131351 [0,0,0,0,1,0|0,0,3]=4 134 B6R0.2 O=C([O-])OC(=O)[O-] HR101507 [0,0,0,0,1,0|1,0,2]=4 135 B8R0.28 CC(=O)C\C=C\C(=O)O HR110909 [0,0,0,0,0,1|1,0,0]=2 136 B8R0.28 CC(=O)\C=C\C=C(C)C HR115321 [0,0,0,0,0,1|3,0,0]=4 137 B8R0.28 CN(C)C\C=C\C(=O)O HR112008 [0,0,0,0,0,1|3,0,0]=4 138 B8R0.28 CN(C)C\C=C\C(=O)O HR138898 [0,0,0,0,0,1|3,0,0]=4 139 B8R0.28 O=C(O)CCCC(=O)O HR132258 [0,0,0,0,0,1|0,0,2]=3 140 B8R0.28 O=C(O)CNCC(=O)O HR138649 [0,0,0,0,0,1|0,0,2]=3 141 B8R0.28 O=C(O)COCC(=O)O HR121403 [0,0,0,0,0,1|0,0,2]=3 142 B8R0.28 O=C(O)CSCC(=O)O HR124866 [0,0,0,0,0,1|0,0,2]=3 143 B5R0.1 C=CCC(=O)O HR124911 [2,0,0,0,0,0|0,0,1]=3 144 B5R0.1 C=CNC(C)=O HR112565 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.1 CC(=O)OC=O HR100841 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.1 CC(=O)\C=N\O HR126710 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.1 CC(C)=CC=O HR138342 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.1 C\C=C\C(=O)Cl HR100850 [2,0,0,0,0,0|1,0,1]=4 149 B5R0.1 C\C=C\C(=O)Cl HR133043 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.1 O=C(O)CCO HR12598 [2,0,0,0,0,0|0,0,2]=4 151 B5R0.1 O=C(O)\C=C\I HR145754 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.2 CC\C=C\C=O HR111713 [2,0,0,0,0,0|1,0,1]=4 153 B5R0.2 CC\C=C\C=O HR139459 [2,0,0,0,0,0|1,0,1]=4 154 B5R0.2 O=CCCC=O HR100601 [2,0,0,0,0,0|0,0,2]=4 155 B5R0.2 O=CNNC=O HR123173 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.2 OC\C=C\CO HR109258 [2,0,0,0,0,0|0,0,2]=4 157 B5R0.2 OC\C=C\CO HR127834 [2,0,0,0,0,0|0,0,2]=4 158 B5R0.2 OC\C=C\CO HR134158 [2,0,0,0,0,0|0,0,2]=4 159 B7R0.3 COC(=O)CCC=O HR116651 [1,1,0,0,0,0|0,0,2]=4 160 B7R0.3 COC(=O)\C=C\CBr HR131230 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.3 CO\C=C\C(=O)OC HR100409 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.3 CO\C=C\C(=O)OC HR123737 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.3 C\C=C\CC(=O)OC HR127455 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.4 C=C\C=C\OC(C)=O HR141489 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.4 CCO\C=C\C(=O)O HR20958 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.4 CC\C=C\CC(=O)O HR109903 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.4 C\C=C\C=C\C(=O)O HR125524 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.4 C\C=C\C=C\C(=O)[O-] HR124997 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.4 C\C=C\C=C\C(=O)[O-] HR125264 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.5 CC\C=C(\C)C(=O)O HR131305 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.5 CC\C=C(\C)C(=O)O HR138938 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.16 NC(C(=O)O)C(=O)O HR133757 [0,1,0,0,1,0|0,0,1]=3 173 B7R0.16 O=C(O)C(=O)C(=O)O HR145722 [0,1,0,0,1,0|0,0,0]=2 174 B7R0.16 O=C(O)C(O)C(=O)O HR2066 [0,1,0,0,1,0|0,0,1]=3 175 B9R0.1 COC(=O)CCCC(=O)O HR129096 [0,1,0,0,0,1|0,0,2]=4 176 B9R0.7 CC(CCC(=O)O)C(=O)O HR145824 [0,1,0,0,0,1|0,0,2]=4 177 B9R0.7 CC(CCC(=O)O)C(=O)O HR145825 [0,1,0,0,0,1|0,0,2]=4 178 B9R0.7 CC(CCC(=O)O)C(=O)O HR145826 [0,1,0,0,0,1|0,0,2]=4 179 B9R0.7 NC(CCC(=O)O)C(=O)O HR126593 [0,1,0,0,0,1|0,0,2]=4 180 B9R0.7 NC(CCC(=O)O)C(=O)O HR129986 [0,1,0,0,0,1|0,0,2]=4 181 B9R0.7 NC(CCC(=O)O)C(=O)O HR130515 [0,1,0,0,0,1|0,0,2]=4 182 B9R0.7 NC(CCC(=O)O)C(=O)O HR131250 [0,1,0,0,0,1|0,0,2]=4 183 B9R0.7 NC(CCC(=O)O)C(=O)O HR132775 [0,1,0,0,0,1|0,0,2]=4 184 B9R0.7 NC(CCC(=O)O)C(=O)O HR133402 [0,1,0,0,0,1|0,0,2]=4 185 B9R0.7 NC(CCC(=O)O)C(=O)O HR137048 [0,1,0,0,0,1|0,0,2]=4 186 B9R0.7 O=C(O)CCC(=O)C(=O)O HR128966 [0,1,0,0,0,1|0,0,1]=3 187 B9R0.7 O=C(O)CCC(=O)C(=O)O HR129232 [0,1,0,0,0,1|0,0,1]=3 188 B9R0.7 O=C(O)CCC(=O)C(=O)O HR136888 [0,1,0,0,0,1|0,0,1]=3 189 B9R0.7 O=C(O)CCC(O)C(=O)O HR145130 [0,1,0,0,0,1|0,0,2]=4 190 B9R0.7 O=C([O-])CCC(=O)C(=O)O HR100275 [0,1,0,0,0,1|0,0,2]=4 191 B9R0.53 CC(CC(=O)O)CC(=O)O HR135338 [0,1,0,0,0,1|0,0,2]=4 192 B9R0.53 CN(CC(=O)O)CC(=O)O HR110495 [0,1,0,0,0,1|0,0,2]=4 193 B9R0.53 O=C(O)CC(=O)CC(=O)O HR132354 [0,1,0,0,0,1|0,0,1]=3 194 B9R0.23 C=C(NC(C)=O)C(=O)OC HR115634 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.23 COC(=O)C(N)CC(=O)O HR102461 [0,2,0,0,0,0|0,0,2]=4 196 B9R0.23 COC(=O)C(N)CC(=O)O HR129643 [0,2,0,0,0,0|0,0,2]=4 197 B9R0.23 COC(=O)C(N)CC(=O)O HR144063 [0,2,0,0,0,0|0,0,2]=4 198 B9R0.24 COC(=O)C#CC(=O)OC HR129295 [0,2,0,0,0,0|0,0,2]=4 199 B9R0.24 COC(=O)CCC(=O)OC HR133663 [0,2,0,0,0,0|0,0,2]=4 200 B9R0.24 COC(=O)\C=C\C(=O)OC HR129494 [0,2,0,0,0,0|0,0,0]=2 201 B9R0.24 COC(=O)\C=C\C(=O)OC HR138660 [0,2,0,0,0,0|0,0,0]=2 202 B9R0.42 COC(=O)CC(=O)C(=O)O HR32427 [0,2,0,0,0,0|0,0,1]=3 203 B9R0.42 COC(=O)CC(C)C(=O)O HR145793 [0,2,0,0,0,0|0,0,2]=4 204 B9R0.42 COC(=O)CC(C)C(=O)O HR145794 [0,2,0,0,0,0|0,0,2]=4 205 B9R0.42 COC(=O)CC(N)C(=O)O HR126403 [0,2,0,0,0,0|0,0,2]=4 206 B9R0.42 COC(=O)CC(N)C(=O)O HR133636 [0,2,0,0,0,0|0,0,2]=4 207 B9R0.42 COC(=O)CC(N)C(=O)O HR144163 [0,2,0,0,0,0|0,0,2]=4 208 B9R0.48 CCNC(=O)\C=C\C(=O)O HR104340 [0,2,0,0,0,0|1,0,0]=3 209 B9R0.48 CCOC(=O)\C=C\C(=O)Cl HR144452 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] HR129266 [0,2,0,0,0,0|0,0,1]=3 211 B9R0.48 CCOC(=O)\C=C\C(C)=O HR117323 [0,2,0,0,0,0|1,0,0]=3 212 B9R0.11 CC(C)(CC(=O)O)C(=O)O HR131080 [0,2,0,0,0,0|0,0,2]=4 213 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR139226 [0,2,0,0,0,0|0,0,2]=4 214 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR144261 [0,2,0,0,0,0|0,0,2]=4 215 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR144355 [0,2,0,0,0,0|0,0,2]=4 216 B9R0.11 CC(O)(CC(=O)O)C(=O)O HR101544 [0,2,0,0,0,0|0,0,2]=4 217 B9R0.11 O=C(O)CC(F)(F)C(=O)O HR100703 [0,2,0,0,0,0|0,0,2]=4 218 B9R0.39 CCC(CC(=O)O)C(=O)O HR109137 [0,2,0,0,0,0|0,0,2]=4 219 B9R0.39 CNC(CC(=O)O)C(=O)O HR135615 [0,2,0,0,0,0|0,0,2]=4 220 B9R0.39 CNC(CC(=O)O)C(=O)O HR139312 [0,2,0,0,0,0|0,0,2]=4 221 B9R0.57 C=C(OP(=O)(O)O)C(=O)O HR140185 [0,2,0,0,0,0|2,0,0]=4 222 B9R0.79 CC(C(=O)O)C(N)C(=O)O HR10166 [0,2,0,0,0,0|0,0,2]=4 223 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O HR138105 [0,2,0,0,0,0|0,0,2]=4 224 B9R0.79 O=C(O)C(O)C(O)C(=O)O ESSA02702 [0,2,0,0,0,0|0,0,2]=4 225 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR111175 [0,2,0,0,0,0|0,0,2]=4 226 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR122874 [0,2,0,0,0,0|0,0,2]=4 227 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR124088 [0,2,0,0,0,0|0,0,2]=4 228 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR124341 [0,2,0,0,0,0|0,0,2]=4 229 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR128904 [0,2,0,0,0,0|0,0,2]=4 230 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR134657 [0,2,0,0,0,0|0,0,2]=4 231 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR138162 [0,2,0,0,0,0|0,0,2]=4 232 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR149070 [0,2,0,0,0,0|0,0,2]=4 233 B9R0.79 O=C(O)C(S)C(S)C(=O)O HR126227 [0,2,0,0,0,0|0,0,2]=4 234 B7R1.2 CC1=CC=C(Br)O1 HR117458 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.2 CC1=CCC(=O)O1 HR136942 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.2 O=C1C=CC(=O)N1 HR130748 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.2 O=C1C=CC(=O)O1 HR146919 [1,0,0,1,0,0|0,0,0]=2 238 B7R1.2 O=C1CCC(=O)O1 HR135468 [1,0,0,1,0,0|0,0,2]=4 239 B7R1.3 O=C1C=CC=NN1 HR137023 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.3 OC1=CC=CN=C1 HR133674 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.3 OC1=NC=CC=C1 HR104705 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.3 OC1=NC=CC=C1 HR133405 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.3 Oc1ccccc1 HR122962 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.35 CC(=O)C1=CC=C(Br)O1 HR119214 [0,0,0,1,0,1|2,0,0]=4 245 B9R1.35 CC1=CC=C(C(=O)Cl)O1 HR111826 [0,0,0,1,0,1|2,0,0]=4 246 B9R1.35 CC1=CC=C(C(=O)O)O1 HR105468 [0,0,0,1,0,1|1,0,0]=3 247 B9R1.35 CC1=CC=C(C(=O)O)S1 HR134654 [0,0,0,1,0,1|1,1,0]=4 248 B9R1.35 CC1=CN=C(C(=O)O)N1 HR109185 [0,0,0,1,0,1|2,0,0]=4 249 B9R1.35 CC1=CN=C(C(=O)O)S1 HR114450 [0,0,0,1,0,1|1,1,0]=4 250 B9R1.35 CC1=CNC(C(=O)O)=C1 HR104056 [0,0,0,1,0,1|2,0,0]=4 251 B9R1.35 CC1=CSC(C(=O)O)=C1 HR134914 [0,0,0,1,0,1|2,0,0]=4 252 B9R1.35 CC1=CSC(C(=O)O)=N1 HR123032 [0,0,0,1,0,1|2,0,0]=4 253 B9R1.35 CC1=NC(C(=O)O)=CN1 HR147293 [0,0,0,1,0,1|2,0,0]=4 254 B9R1.35 CC1=NC(C(=O)O)=CO1 HR102577 [0,0,0,1,0,1|2,0,0]=4 255 B9R1.35 CC1=NC(C(=O)O)=CO1 HR146838 [0,0,0,1,0,1|2,0,0]=4 256 B9R1.35 CC1=NC(C(=O)O)=CS1 HR104874 [0,0,0,1,0,1|2,0,0]=4 257 B9R1.35 CC1=NC=C(C(=O)O)S1 HR22287 [0,0,0,1,0,1|1,1,0]=4 258 B9R1.35 NC1=CN=C(C(=O)O)N1 HR105223 [0,0,0,1,0,1|2,0,0]=4 259 B9R1.35 NC1=CNC(C(=O)O)=C1 HR108887 [0,0,0,1,0,1|2,0,0]=4 260 B9R1.35 NC1=NC(C(=O)O)=CO1 HR119910 [0,0,0,1,0,1|2,0,0]=4 261 B9R1.35 NC1=NC(C(=O)O)=CS1 HR131745 [0,0,0,1,0,1|2,0,0]=4 262 B9R1.35 NC1=NC(C(=O)O)=CS1 HR146613 [0,0,0,1,0,1|2,0,0]=4 263 B9R1.35 NC1=NC=C(C(=O)O)S1 HR121685 [0,0,0,1,0,1|1,1,0]=4 264 B9R1.35 Nc1csc(C(=O)O)c1 HR107780 [0,0,0,1,0,1|2,0,0]=4 265 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 HR10452 [0,0,0,1,0,1|2,0,0]=4 266 B9R1.35 O=C(O)C1=CC(Br)=CN1 HR103852 [0,0,0,1,0,1|2,0,0]=4 267 B9R1.35 O=C(O)C1=CC(Br)=CO1 HR106979 [0,0,0,1,0,1|2,0,0]=4 268 B9R1.35 O=C(O)C1=CC(Br)=CS1 HR132530 [0,0,0,1,0,1|2,0,0]=4 269 B9R1.35 O=C(O)C1=CC(Cl)=CS1 HR107238 [0,0,0,1,0,1|2,0,0]=4 270 B9R1.35 O=C(O)C1=CC(F)=CS1 HR121831 [0,0,0,1,0,1|2,0,0]=4 271 B9R1.35 O=C(O)C1=CC(O)=NO1 HR114834 [0,0,0,1,0,1|2,0,0]=4 272 B9R1.35 O=C(O)C1=CC=C(Br)S1 HR7368 [0,0,0,1,0,1|1,1,0]=4 273 B9R1.35 O=C(O)C1=CC=C(Cl)O1 HR109565 [0,0,0,1,0,1|1,0,0]=3 274 B9R1.35 O=C(O)C1=CC=C(Cl)S1 HR34174 [0,0,0,1,0,1|1,1,0]=4 275 B9R1.35 O=C(O)C1=CC=C(F)S1 HR101950 [0,0,0,1,0,1|1,1,0]=4 276 B9R1.35 O=C(O)C1=CN=C(Br)S1 HR126707 [0,0,0,1,0,1|1,1,0]=4 277 B9R1.35 O=C(O)C1=CN=C(Cl)S1 HR103202 [0,0,0,1,0,1|1,1,0]=4 278 B9R1.35 O=C(O)C1=COC(Cl)=N1 HR112780 [0,0,0,1,0,1|2,0,0]=4 279 B9R1.35 O=C(O)C1=CSC(Br)=N1 HR109996 [0,0,0,1,0,1|2,0,0]=4 280 B9R1.35 O=C(O)C1=CSC(Cl)=C1 HR107559 [0,0,0,1,0,1|2,0,0]=4 281 B9R1.35 O=C(O)C1=CSC(Cl)=N1 HR108171 [0,0,0,1,0,1|2,0,0]=4 282 B9R1.35 O=C(O)C1=NC(Br)=CS1 HR105768 [0,0,0,1,0,1|2,0,0]=4 283 B9R1.35 O=C(O)c1ccc(Br)o1 HR129600 [0,0,0,1,0,1|1,0,0]=3 284 B9R1.35 O=C1CCC(C(=O)O)O1 HR127855 [0,0,0,1,0,1|0,0,2]=4 285 B9R1.161 O=C(O)C1CC1C(=O)O HR101303 [0,0,0,1,0,1|0,0,2]=4 286 B9R1.161 O=C(O)C1CC1C(=O)O HR106060 [0,0,0,1,0,1|0,0,2]=4 287 B9R1.1 COC1=CC=C(O)C=C1 HR2276 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.1 COC1=CC=C(O)C=N1 HR32560 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.1 O=C1C=CC(CO)=CN1 HR117167 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.1 O=CC1=CC=C(O)C=C1 RAXM01505 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.1 O=CC1=CN=C(O)C=C1 HR135720 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.1 O=CC1=NC=C(O)C=C1 HR32603 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.1 OCC1=CC=C(O)C=C1 HR134210 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.69 CC1=C(O)C=C(O)C=C1 HR31937 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.69 CC1=C(O)C=CC(O)=C1 HR100450 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.69 CC1=C(O)N=NC(O)=C1 HR105602 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.69 CC1=CC(=O)C=CC1=O HR138433 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.69 NC1=C(O)C=C(O)C=C1 HR32213 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.69 O=C1C=CC(=O)C(Br)=C1 HR104214 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.69 O=C1C=CC(=O)C(Cl)=C1 HR140079 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.69 OC1=CC(Br)=C(O)C=C1 HR121957 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.69 OC1=CC(Cl)=C(O)C=C1 HR132139 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.69 OC1=CC(F)=C(O)C=C1 HR16452 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.69 OC1=CC(O)=C(Br)C=C1 HR123804 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.69 OC1=CC(O)=C(Cl)C=C1 HR136882 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.69 OC1=CC(O)=C(F)C=C1 HR32121 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.69 OC1=CC(S)=C(O)C=C1 HR123609 [0,1,0,1,0,0|1,1,0]=4 308 B9R1.69 OC1=CC=C(O)C(O)=C1 HR131310 [0,1,0,1,0,0|1,0,1]=4 309 B5R0.5 C=C(Cl)C(=O)O HR132918 [0,0,0,0,2,0|2,0,0]=4 310 B5R0.5 C=C(N)C(=O)O HR106545 [0,0,0,0,2,0|2,0,0]=4 311 B5R0.5 CC(=O)C(=O)O HR137803 [0,0,0,0,2,0|1,0,0]=3 312 B5R0.5 CC(=O)C(=O)[O-] HR112958 [0,0,0,0,2,0|1,0,1]=4 313 B5R0.5 CC(=O)C(=O)[O-] HR125137 [0,0,0,0,2,0|1,0,1]=4 314 B5R0.5 CC(=O)C(=O)[O-] HR130480 [0,0,0,0,2,0|1,0,1]=4 315 B5R0.5 CC(=O)C(=O)[O-] HR132795 [0,0,0,0,2,0|1,0,1]=4 316 B5R0.5 CC(=O)C(C)=O HR147207 [0,0,0,0,2,0|2,0,0]=4 317 B5R0.5 CC(O)C(=O)O HR122637 [0,0,0,0,2,0|1,0,1]=4 318 B5R0.5 CC(O)C(=O)O HR124397 [0,0,0,0,2,0|1,0,1]=4 319 B5R0.5 CC(O)C(=O)O HR137557 [0,0,0,0,2,0|1,0,1]=4 320 B5R0.5 NC(=O)C(N)=O HR106809 [0,0,0,0,2,0|2,0,0]=4 321 B5R0.5 O=C(Cl)C(=O)Cl TIJL03003 [0,0,0,0,2,0|2,0,0]=4 322 B5R0.5 O=C(O)C(=O)O HR123261 [0,0,0,0,2,0|0,0,0]=2 323 B5R0.5 O=C([O-])C(=O)O HR136858 [0,0,0,0,2,0|0,0,1]=3 324 B5R0.5 O=C([O-])C(=O)[O-] HR100686 [0,0,0,0,2,0|0,0,2]=4 325 B5R0.5 O=C([O-])C(=O)[O-] HR100962 [0,0,0,0,2,0|0,0,2]=4 326 B5R0.5 O=C([O-])C(=O)[O-] HR101005 [0,0,0,0,2,0|0,0,2]=4 327 B5R0.5 O=C([O-])C(=O)[O-] HR102573 [0,0,0,0,2,0|0,0,2]=4 328 B5R0.5 O=C([O-])C(=O)[O-] HR110849 [0,0,0,0,2,0|0,0,2]=4 329 B5R0.5 O=C([O-])C(=O)[O-] HR128357 [0,0,0,0,2,0|0,0,2]=4 330 B5R0.5 O=C([O-])C(=O)[O-] HR129686 [0,0,0,0,2,0|0,0,2]=4 331 B5R0.5 O=C([O-])C(=O)[O-] HR129949 [0,0,0,0,2,0|0,0,2]=4 332 B5R0.5 O=C([O-])C(=O)[O-] HR132963 [0,0,0,0,2,0|0,0,2]=4 333 B5R0.5 O=C([O-])C(=O)[O-] HR134379 [0,0,0,0,2,0|0,0,2]=4 334 B5R0.5 O=C([O-])C(=O)[O-] HR136084 [0,0,0,0,2,0|0,0,2]=4 335 B5R0.5 O=C([O-])C(=O)[O-] HR136170 [0,0,0,0,2,0|0,0,2]=4 336 B5R0.5 O=C([O-])C(=O)[O-] HR136344 [0,0,0,0,2,0|0,0,2]=4 337 B5R0.5 O=C([O-])C(=O)[O-] HR136431 [0,0,0,0,2,0|0,0,2]=4 338 B5R0.5 O=C([O-])C(=O)[O-] HR136606 [0,0,0,0,2,0|0,0,2]=4 339 B5R0.5 O=C([O-])C(=O)[O-] HR136689 [0,0,0,0,2,0|0,0,2]=4 340 B5R0.5 O=C([O-])C(=O)[O-] HR136946 [0,0,0,0,2,0|0,0,2]=4 341 B5R0.5 O=C([O-])C(=O)[O-] HR138096 [0,0,0,0,2,0|0,0,2]=4 342 B5R0.5 O=C([O-])C(=O)[O-] HR138340 [0,0,0,0,2,0|0,0,2]=4 343 B9R0.55 O=C(O)CCCCC(=O)O HR127775 [0,0,0,0,0,2|0,0,2]=4 344 B9R0.55 O=C(O)CCCCC(=O)O HR137867 [0,0,0,0,0,2|0,0,2]=4 345 B9R0.55 O=C(O)\C=C\C=C\C(=O)O HR126359 [0,0,0,0,0,2|0,0,0]=2