0 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 CC(CN)C(=O)O CDS014136 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.3 CC(CS)C(=O)O CDS000283 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.3 CCC(C)C(=O)N S799637 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.3 CCC(C)[N+](=O)[O-] S919179 [0,0,0,0,0,0|1,0,3]=4 8 B6R0.3 CCC(N)C(=O)N S784044 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 CCC(O)C(=O)O CDS000492 [0,0,0,0,0,0|1,0,1]=2 10 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.3 CNC(C)C(=O)N CBR00065 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.3 NCC(N)C(=O)O R278769 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.3 O=C(O)C(=O)O[Cs] S366196 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CC(=O)/C=C\N S312274 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCNC(=N)N PH018983 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CCOC(=S)N PH003667 [1,0,0,0,0,0|2,1,0]=4 19 B5R0.1 CCOC(=S)[S-] R464988 [1,0,0,0,0,0|1,2,0]=4 20 B5R0.1 CCOC(=S)[S-] R533475 [1,0,0,0,0,0|1,2,0]=4 21 B5R0.1 CNCC(=O)C CBR02406 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 COCC(=O)N S371874 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CONC(=O)N S802999 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 NCCC(=O)N CDS000027 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 O=C([O-])/C=C\Cl T234753 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.3 Br/C=C(\Br)/CBr S53202 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.3 C(=O)C(S)CO S612626 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 C/C(=C\Br)/CO S881295 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 C/C(=N\O)/CS R262161 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 CCC(=O)CO R277614 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.3 Cl/C=C(/Cl)\CCl PH008783 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.5 C=C(C)C(=O)C CDS000556 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.5 C=C(C)C(=O)[O-] S457930 [1,0,0,0,0,0|0,0,1]=2 37 B5R0.5 C=C(C)C(=O)[O-] S460389 [1,0,0,0,0,0|0,0,1]=2 38 B5R0.5 C=C(C)C(=O)[O-] S461806 [1,0,0,0,0,0|0,0,1]=2 39 B5R0.5 C=C(C)C(C)O T277479 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.5 CC(=O)C(C)F CDS002853 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.5 CC(O)C(=O)[O-] S933260 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.5 O=C(O)C(=O)O S647829 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.5 C#CC[C@@H](N)C(=O)O CDS005053 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.5 C=C(CCC)C(C)C R289221 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 CC(=O)C(Cl)CCO S561894 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.5 CC(=O)N(C)CCN PH019599 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.5 CC(=O)N(C)CCO CBR01454 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.5 CCCC(=C(C)C)C R289469 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.5 CCOC(C)C(=O)O CBR01494 [0,1,0,0,0,0|0,0,2]=3 51 B7R0.5 CCSC(C)C(=O)O CBR01403 [0,1,0,0,0,0|0,0,2]=3 52 B7R0.5 CNCC(C)C(=O)O CBR01429 [0,1,0,0,0,0|0,0,2]=3 53 B7R0.5 CO/C=C(\C)/C(=O)O PH008422 [0,1,0,0,0,0|0,0,2]=3 54 B7R0.5 CSC[C@@H](C)C(=O)O PH009560 [0,1,0,0,0,0|0,0,2]=3 55 B7R0.5 NCCC(N)C(=O)O PH018181 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.10 CCC(=O)C(O)CC CDS000463 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.10 CCC(C)/C(=N/O)/N CBR01424 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.10 CNC(C)C(=O)OC CBR01417 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.10 COC(=O)C(=O)NN PH011621 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.10 COC(=O)[C@H](N)CS PH013124 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.10 [C@H](O)(CO)C(=O)CO R426385 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.13 CC(Br)(CBr)C(=O)O S881317 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.13 CCC(C)(C)C(=O)Cl CDS001197 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.13 CCC(C)(O)C(=O)C PH007065 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.13 COC(C)(C)C(=O)O CDS009439 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.13 C[C@](O)(CBr)C(=O)O PH008021 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.14 CCC(N)P(=O)(O)O R426547 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.15 CC(=O)/C(=N/O)/CCl PH000849 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.15 CC/C(=N/O)/C(=O)O S283916 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.15 CCC(CC)C(=O)C PH016168 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.15 CCC(CC)C(=O)N S378488 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.15 CCC(NN)C(=O)O PH009006 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.15 CCC(NO)C(=O)O S283789 [0,1,0,0,0,0|1,0,1]=3 76 B7R0.15 CCN(CC)C(=O)[NH-] S586188 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.15 N#C/C(=C/[O-])/C(=O)N S883859 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.16 CC(Br)C(Br)C(=O)O S706906 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.16 CC(O)C(Cl)C(=O)O PH007142 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.16 CC(O)C(N)C(=O)N S781339 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.16 CN(C)C(=O)C(=O)O CDS003371 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl S893994 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.16 O=C(O)C(F)C(Cl)Cl S28488 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.16 [C@H](N)(C(=O)N)C(C)C S777749 [0,1,0,0,0,0|2,0,1]=4 85 B7R1.4 CC1=C(CCC1)Br T256854 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.4 CN1CCNC1=O CDS006142 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.4 NC1CCOC1=O CDS012715 [0,0,0,1,0,0|1,0,1]=3 88 B7R1.4 NC1CCSC1=O S784036 [0,0,0,1,0,0|1,1,1]=4 89 B7R1.4 NN1CCOC1=O S462624 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.12 CC1CC1C(=O)N EME00444 [0,0,0,1,0,0|1,0,2]=4 93 B7R1.15 CC1NC(=O)C1C T173835 [0,0,0,1,0,0|1,0,2]=4 94 B7R1.15 CC1NC(=O)C1C T173843 [0,0,0,1,0,0|1,0,2]=4 95 B7R1.18 NC(=O)C1CCC1 S680745 [0,0,0,1,0,0|1,0,2]=4 96 B7R1.18 O=C(O)C1CCN1 CDS008419 [0,0,0,1,0,0|1,0,1]=3 97 B7R0.2 CCC(C)CC(=O)Cl PH016167 [0,0,0,0,0,1|1,0,2]=4 98 B7R0.2 CCC(N)CC(=O)O CDS006113 [0,0,0,0,0,1|1,0,1]=3 99 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [0,0,0,0,0,1|0,0,2]=3 100 B7R0.2 CNC(=O)NC(=O)C S411868 [0,0,0,0,0,1|3,0,0]=4 101 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,0,0,0,0,1|2,0,0]=3 102 B7R0.2 COC(=O)NC(=O)N S876178 [0,0,0,0,0,1|3,0,0]=4 103 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,0,0,0,0,1|3,0,0]=4 104 B7R0.2 NC(=O)NC(=O)CCl PH011412 [0,0,0,0,0,1|3,0,0]=4 105 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [0,0,0,0,0,1|2,0,1]=4 106 B4R0.1 C(=O)C(=O)[O-] S573140 [2,0,0,0,0,0|1,0,1]=4 107 B4R0.1 C=C(C)CN CDS003053 [2,0,0,0,0,0|1,0,1]=4 108 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|1,0,1]=4 109 B4R0.1 CCB(O)O CDS003542 [2,0,0,0,0,0|1,0,1]=4 110 B4R0.1 CCC(=N)N CBR01339 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|0,0,1]=3 112 B4R0.1 CCC(=S)N CDS000328 [2,0,0,0,0,0|1,1,0]=4 113 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|2,0,0]=4 114 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|1,0,1]=4 115 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|1,0,0]=3 116 B4R0.1 O=C([O-])CO CDS000626 [2,0,0,0,0,0|1,0,1]=4 117 B4R0.2 OC/C=C/Br S880973 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.1 CC/C=C(\C)/CC R289574 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.1 CC/C=C(\C)/CC R289582 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.1 CC/C=C(\C)/CO S888702 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.1 CCNC(=O)CBr CBR01984 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.1 CCNC(=O)CCl TMT00299 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.1 CCOC(=O)NC PH010865 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.1 CCOC(=O)N[O-] S859273 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.1 CCSC(=O)CC CDS001498 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.1 CNCC(=O)OC PH006931 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.1 COC(=O)/C=C\I SYX00331 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.1 [Li]OC(=O)CCC S813958 [1,1,0,0,0,0|0,0,1]=3 129 B6R0.2 CC(=CC(C)C)C R289302 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.2 CC(=O)NC(C)C S378992 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.2 CC(C)CC(=O)[O-] S693154 [1,1,0,0,0,0|0,0,2]=4 132 B6R0.2 CC(Cl)CC(=O)O S419621 [1,1,0,0,0,0|0,0,1]=3 133 B6R0.2 O=C(O)C=C(Cl)Cl T295175 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.4 CC(=O)NCCCl CDS001220 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.4 CC(=O)OCCS S363049 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,1,0,0,0,0|1,0,0]=3 137 B6R0.4 CCC#CC(=O)C CDS000006 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.4 CCCSC(=O)C CDS000298 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.4 CCNCC(=O)N S877379 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.4 CCNCC(=O)N S986194 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.4 CCSCC(=O)C S614262 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.4 CNCCC(=O)O CDS013939 [1,1,0,0,0,0|0,0,1]=3 144 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.4 CSCCC(=O)Cl CDS000414 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.4 N#CCCC(=O)O CDS009069 [1,1,0,0,0,0|0,0,2]=4 147 B6R0.4 NC(=O)CCCCl OTV000845 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.4 NC(=O)NCCCl CDS000493 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.4 O=C(O)CCCS CDS004545 [1,1,0,0,0,0|0,0,1]=3 150 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [0,1,0,0,0,1|0,0,2]=4 151 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [0,1,0,0,0,1|0,0,2]=4 152 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [0,1,0,0,0,1|0,0,2]=4 153 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,1,0,0,0,1|2,0,0]=4 154 B8R0.5 CCCC(N)CC(=O)O BBO000362 [0,1,0,0,0,1|1,0,1]=4 155 B8R0.5 CCO/C(=C/C(=O)O)/C S885061 [0,1,0,0,0,1|0,0,1]=3 156 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,1,0,0,0,1|2,0,0]=4 157 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,1,0,0,0,1|2,0,0]=4 158 B8R0.16 CCN(CC)CC(=O)O PH011958 [0,1,0,0,0,1|1,0,1]=4 159 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [0,1,0,0,0,1|1,0,1]=4 160 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [0,1,0,0,0,1|1,0,1]=4 161 B8R0.19 COC(=O)NC(=O)CCl PH010166 [0,1,0,0,0,1|2,0,0]=4 162 B8R0.23 CC(=O)/C(=C/C(=O)O)/C S548960 [0,1,0,0,0,1|0,0,2]=4 163 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [0,1,0,0,0,1|2,0,0]=4 164 B8R0.23 CC(C)[C@@H](N)CC(=O)O CDS005723 [0,1,0,0,0,1|1,0,1]=4 165 B8R0.23 CC(C)[C@H](N)CC(=O)O CDS005722 [0,1,0,0,0,1|1,0,1]=4 166 B8R0.23 CN(C)C(=O)CC(=O)O CDS022231 [0,1,0,0,0,1|2,0,0]=4 167 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [0,1,0,0,0,1|0,0,2]=4 168 B8R0.3 C(=C(\C)/C(=O)OC)\CCl T297852 [0,2,0,0,0,0|0,0,2]=4 169 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [0,2,0,0,0,0|1,0,1]=4 170 B8R0.3 CCOC(=O)/C(=N/O)/C S942979 [0,2,0,0,0,0|2,0,0]=4 171 B8R0.3 CCOC(=O)C(Cl)CC S918407 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.3 CCOC(=O)C(F)CC S431370 [0,2,0,0,0,0|1,0,1]=4 173 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,2,0,0,0,0|0,0,1]=3 174 B8R0.8 CSCCC(O)C(=O)O PH000120 [0,2,0,0,0,0|1,0,1]=4 175 B8R0.8 NCCCC(N)C(=O)O S594881 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.12 CSCC(C)(C)C(=O)O PH007648 [0,2,0,0,0,0|0,0,2]=4 178 B8R0.20 C(=C(\CBr)/C(=O)OC)\C T262250 [0,2,0,0,0,0|1,0,0]=3 179 B8R0.20 CCC(CC)C(=O)OC S240257 [0,2,0,0,0,0|0,0,2]=4 180 B8R0.20 CCC(NC)C(=O)OC CBR01434 [0,2,0,0,0,0|0,0,2]=4 181 B8R0.20 [C-]#[N+]C(CC)C(=O)OC PH015976 [0,2,0,0,0,0|0,0,2]=4 182 B8R0.37 CC(Br)C(C)(Br)C(=O)O T305987 [0,2,0,0,0,0|0,0,2]=4 183 B8R0.27 C=C(C(=O)C)[Si](C)(C)C T227439 [0,2,0,0,0,0|1,1,0]=4 184 B8R0.27 CC(C)(C)C(=O)C(=O)O CDS001578 [0,2,0,0,0,0|1,0,0]=3 185 B8R0.27 CC(C)(S)C(N)C(=O)O S787019 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.18 CC(=C(C#N)C(=O)O)C S112283 [0,2,0,0,0,0|0,0,2]=4 187 B8R0.18 CC(=O)/C(=N\O)/C(C)C PH009501 [0,2,0,0,0,0|2,0,0]=4 188 B8R0.18 CCC(C(=O)N)C(=O)N PH009400 [0,2,0,0,0,0|1,0,1]=4 189 B6R1.2 O=C1NCCS1 CDS011623 [1,0,0,1,0,0|1,1,0]=4 190 B6R1.2 P1(=O)OCCO1 S428957 [1,0,0,1,0,0|2,0,0]=4 191 B6R1.11 NC(=O)C1CC1 S455989 [1,0,0,1,0,0|1,0,1]=4 192 B6R1.4 CC1CCC1=O CDS021461 [1,0,0,1,0,0|0,0,2]=4 193 B6R1.4 O=C1CCC1=O S869309 [1,0,0,1,0,0|1,0,0]=3 194 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,0,0,1,0,1|2,0,0]=4 195 B8R1.1 CCC1=CSC(=N1)N CBR01525 [0,0,0,1,0,1|1,1,0]=4 196 B8R1.1 CCC1=CSC(=S)N1 PH006951 [0,0,0,1,0,1|0,2,0]=4 197 B8R1.1 CCC1=NOC(=N1)O CBR01637 [0,0,0,1,0,1|1,0,1]=4 198 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,0,0,1,0,1|0,0,2]=4 199 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,0,0,1,0,1|2,0,0]=4 200 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,0,0,1,0,1|0,0,2]=4 201 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,0,0,1,0,1|2,0,0]=4 202 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,0,0,1,0,1|0,0,2]=4 203 B8R1.34 O=C(O)C=C1CCC1 T165123 [0,0,0,1,0,1|0,0,1]=3 204 B8R1.5 N1CCNC(=O)C1=O S15025 [0,1,0,1,0,0|2,0,0]=4 205 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,1,0,1,0,0|0,0,2]=4 206 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.7 O=C(O)C1=CN=NN1 CDS001736 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.7 O=C(O)C1=CSN=C1 T312894 [0,1,0,1,0,0|1,0,1]=4 213 B8R1.7 O=C(O)C1=CSN=N1 CDS016592 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,1,0,1,0,0|1,0,1]=4 215 B8R1.7 O=C(O)C1=NON=C1 CDS009561 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,1,0,1,0,0|0,0,2]=4 217 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,1,0,1,0,0|0,0,2]=4 218 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.7 OB(O)C1=CCCC1 CDS007916 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.7 OB(O)C1=CCCO1 CDS023964 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.23 O=C(O)C1CC(C1)F CDS023094 [0,1,0,1,0,0|0,0,2]=4 222 B8R1.23 O=C(O)C1CC(C1)O CDS022840 [0,1,0,1,0,0|0,0,2]=4 223 B8R1.78 CC1(COC1)C(=O)O SYX00377 [0,1,0,1,0,0|0,0,2]=4 224 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.38 COC(=O)C1CCC1 S851957 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.39 COC(=O)C1(CC1)N CDS020064 [0,1,0,1,0,0|1,0,1]=4 227 B8R1.63 NCC1(CC1)C(=O)O CDS015451 [0,1,0,1,0,0|0,0,2]=4 228 B8R1.63 O=C(O)C1(CC1)CO CDS024235 [0,1,0,1,0,0|0,0,2]=4 229 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [0,1,0,1,0,0|0,0,2]=4 230 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,0,0,0,0,2|2,0,0]=4 231 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,0,0,0,0,2|2,0,0]=4 232 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,0,0,0,0,2|1,0,0]=3 233 B8R0.9 CCC(=O)COC(=O)C S362409 [0,0,0,0,0,2|2,0,0]=4 234 B8R0.9 COC(=O)NCC(=O)O CDS020780 [0,0,0,0,0,2|2,0,0]=4 235 B8R0.9 NCC(=O)NCC(=O)O S456829 [0,0,0,0,0,2|2,0,0]=4 236 B8R0.9 O=C(O)CNC(=O)CCl S451770 [0,0,0,0,0,2|2,0,0]=4