0 B7R0.6 CC(=O)NN=C(C)C A66607 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(=O)NNC(C)C P40426 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(C)=NNC(N)=O P39156 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CN(C)CCC(=O)O D41335 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.6 CN(C)\C=C\[N+](=O)[O-] D5271 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 O=C(O)CCC(F)F D59737 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 O=C([O-])\C=C\C(=O)[O-] F60742 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.4 C=C\C=C/C(=O)O P41118 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.4 CC(C)CCCO M67872 [1,0,0,0,0,0|0,0,3]=4 10 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,0,0,0,0|0,0,3]=4 11 B6R0.4 CCCOC(N)=O P40264 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CN(C)\C=C\C=O D36904 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 COC=CC(C)=O M41222 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 O=C(O)CCCBr B39154 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 O=C(O)CCCCl C40232 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 O=C(O)\C=C\CBr B37272 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.9 CC(C)O\C=C(/Br)C=O B1138 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,1,0,0,0,0|1,0,1]=3 21 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,1,0,0,0,0|0,0,2]=3 25 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,1,0,0,0,0|0,0,2]=3 27 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,1,0,0,0,0|0,0,2]=3 28 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,0,0|0,0,2]=3 30 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,0,0|0,0,2]=3 31 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.29 CC(C)(C)\C=C\B(O)O D2880 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.29 C[Si](C)(C)C#CC(=O)O T41467 [0,1,0,0,0,0|0,1,2]=4 36 B8R0.29 O=C(O)\C=C\C(F)(F)F T64794 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.3 CC1=CN=C(O)C=C1 M63706 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.3 CC1=CNC(=O)C=C1 M68372 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.3 CC1=NC=C(O)C=C1 H4553 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.3 CC1=NNC(=O)C=C1 M0242 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.3 CC1=NNC(=O)C=C1 M25029 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.3 CC1=NNC(=O)C=C1 M41309 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,1,0,0|1,0,2]=4 46 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,0,0,1,0,0|0,0,2]=3 48 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,0,0,1,0,0|0,0,2]=3 50 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,0,0,1,0,0|0,0,2]=3 51 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,0,0,1,0,0|1,0,2]=4 55 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,0,0,1,0,0|1,0,2]=4 56 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,0,0,1,0,0|0,0,0]=1 65 B8R1.51 C=C1COC(C)(C)O1 D8451 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,0,0,1,0,0|0,0,2]=3 68 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,0,0|0,0,2]=3 71 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,0,0|0,0,2]=3 72 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,0,0,1,0,0|1,0,2]=4 73 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,0,0,1,0|2,0,1]=4 74 B6R0.2 CC(=O)NC(C)C P40402 [0,0,0,0,1,0|2,0,0]=3 75 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,0,0,0,1,0|3,0,0]=4 76 B6R0.2 CC(C)=CB(O)O D3007 [0,0,0,0,1,0|1,0,2]=4 77 B6R0.2 CC(C)CB(O)O M4460 [0,0,0,0,1,0|1,0,2]=4 78 B6R0.2 CN(C)CC(=O)Cl D40251 [0,0,0,0,1,0|2,0,1]=4 79 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,0,0,0,1,0|1,0,1]=3 80 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,0,0,0,1,0|1,0,1]=3 81 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,0,0,1,0|1,0,2]=4 82 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,0,0,0,1,0|1,0,1]=3 83 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,0,0,1,0|1,0,1]=3 84 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,0,0,1,0|1,0,2]=4 85 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,0,0,0,0,1|1,0,2]=4 86 B8R0.28 CN(C)CCCC(=O)O D43497 [0,0,0,0,0,1|1,0,2]=4 87 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,0,0,0,0,1|1,0,0]=2 88 B5R0.1 C=CC[C@H](C)O P62507 [2,0,0,0,0,0|1,0,1]=4 89 B5R0.1 CC#CC(=O)O B67945 [2,0,0,0,0,0|0,0,2]=4 90 B5R0.1 CC(C)\C=N\O I2624 [2,0,0,0,0,0|1,0,0]=3 91 B5R0.1 CN(C)CC=O D39943 [2,0,0,0,0,0|1,0,1]=4 92 B5R0.1 CN(C)NC=O D66358 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.1 O=C(O)\C=C\Br B9431 [2,0,0,0,0,0|1,0,0]=3 96 B5R0.2 CCO\C=C/Br B2725 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.2 OC\C=C\CO B64254 [2,0,0,0,0,0|1,0,1]=4 98 B7R0.2 CC(C)OC(=O)CO I38145 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.2 CC(C=O)=CN(C)C D41498 [1,1,0,0,0,0|1,0,0]=3 100 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.2 CCC(=O)OC(C)=O A41227 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|0,0,2]=4 103 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,1,0,0,0,0|0,0,2]=4 104 B7R0.2 COC(=O)CC(=O)O M37882 [1,1,0,0,0,0|1,0,1]=4 105 B7R0.3 CCCOC(=O)OC M40388 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.3 COC(=O)C=CCBr M37461 [1,1,0,0,0,0|1,0,0]=3 107 B7R0.3 COC(=O)\C=C\CBr M41176 [1,1,0,0,0,0|1,0,0]=3 108 B7R0.3 COC=CC(=O)OC M39186 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.3 CO\C=C\C(=O)OC M41228 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.4 CCCOCC(=O)O P40387 [1,1,0,0,0,0|0,0,2]=4 111 B7R0.4 CCC\C=C\C(=O)O H41460 [1,1,0,0,0,0|0,0,0]=2 112 B7R0.4 CCOC=CC(=O)O E41226 [1,1,0,0,0,0|0,0,0]=2 113 B7R0.4 CNCCCC(=O)O M63276 [1,1,0,0,0,0|0,0,2]=4 114 B7R0.4 COCCCC(=O)O M67387 [1,1,0,0,0,0|0,0,2]=4 115 B7R0.4 COC\C=C\C(=O)O M63576 [1,1,0,0,0,0|0,0,0]=2 116 B7R0.4 O=C(O)CCCCBr B39187 [1,1,0,0,0,0|0,0,2]=4 117 B7R0.4 O=C(O)CCCCCl C39191 [1,1,0,0,0,0|0,0,2]=4 118 B7R0.4 O=C(O)CCCCO H37199 [1,1,0,0,0,0|0,0,2]=4 119 B7R0.4 O=C(O)CNCCO H40270 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.4 O=C(O)COCCCl C40236 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.5 CCC=C(C)C(=O)O M39198 [1,1,0,0,0,0|0,0,0]=2 122 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,1,0,0,0,0|0,0,2]=4 123 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,1,0,0,0,0|0,0,2]=4 124 B7R0.5 CCOC(=O)C(=O)O E36772 [1,1,0,0,0,0|1,0,0]=3 125 B7R0.5 CCOC(=O)C(C)=O E60800 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.5 CCOC(=O)C(N)=O E60589 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,1,0,0,0,0|0,0,0]=2 128 B7R0.8 C[Si](C)(C)\C=C\CO T41617 [1,1,0,0,0,0|0,1,1]=4 129 B7R0.9 CC(C)(C)OC(N)=O C10352 [0,1,0,0,1,0|2,0,0]=4 130 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,1,0,0,1,0|0,0,1]=3 131 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,1,0,0,1,0|0,0,2]=4 132 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,1,0,0,1,0|0,0,1]=3 133 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,1,0,0,1,0|0,0,1]=3 134 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,1,0,0,1,0|0,0,1]=3 135 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,1,0,0,1,0|1,0,1]=4 136 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,1,0,0,1,0|0,0,1]=3 137 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,1,0,0,1,0|1,0,1]=4 138 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,1,0,0,1,0|1,0,1]=4 139 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,1,0,0,1,0|1,0,1]=4 140 B7R0.16 O=C(O)C(=O)C(Br)Br D39815 [0,1,0,0,1,0|2,0,0]=4 141 B9R0.1 COC(=O)\C=C\CN(C)C M43850 [0,1,0,0,0,1|1,0,0]=3 142 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,1,0,0,0,1|0,0,2]=4 143 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O C41218 [0,1,0,0,0,1|1,0,1]=4 144 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,1,0,0,0,1|0,0,2]=4 145 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,1,0,0,0,1|0,0,2]=4 146 B9R0.23 CC(C)OC(=O)C(=O)CBr P65399 [0,2,0,0,0,0|2,0,0]=4 147 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [0,2,0,0,0,0|0,0,2]=4 148 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [0,2,0,0,0,0|0,0,2]=4 149 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [0,2,0,0,0,0|0,0,2]=4 150 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [0,2,0,0,0,0|1,0,0]=3 151 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [0,2,0,0,0,0|1,0,0]=3 152 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O A43930 [0,2,0,0,0,0|0,0,2]=4 153 B9R0.39 CC(C)C=C(C#N)C(=O)O C46405 [0,2,0,0,0,0|0,0,0]=2 154 B9R0.39 CC(C)C[C@@H](CN)C(=O)O A43933 [0,2,0,0,0,0|0,0,2]=4 155 B9R0.39 CC(C)C[C@H](CN)C(=O)O A43932 [0,2,0,0,0,0|0,0,2]=4 156 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [0,2,0,0,0,0|0,0,2]=4 157 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [0,2,0,0,0,0|0,0,2]=4 158 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.2 CN1C=CC(=O)N1 M40182 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.3 O=C1C=CCCN1 D67780 [1,0,0,1,0,0|1,0,0]=3 162 B7R1.3 O=C1C=CCOC1 P26982 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|0,0,2]=4 165 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|0,0,2]=4 166 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|0,0,2]=4 167 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|0,0,2]=4 168 B7R1.14 O=S1(=O)C=CCC1 D1486 [1,0,0,1,0,0|1,0,1]=4 169 B7R1.17 CC1(C)CCC1=O D60316 [1,0,0,1,0,0|0,0,2]=4 170 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|0,0,2]=4 171 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,1,0,0|1,0,1]=4 172 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,1,0,0|1,0,1]=4 174 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,1,0,0|1,0,1]=4 175 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,1,0,0|1,0,1]=4 176 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,1,0,0|1,0,1]=4 177 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,1,0,0|1,0,1]=4 178 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|0,0,2]=4 179 B9R1.35 CC(C)C1=CN=C(Br)S1 B43292 [0,0,0,1,0,1|1,1,0]=4 180 B9R1.35 CC(C)C1=CN=C(N)S1 P67827 [0,0,0,1,0,1|1,1,0]=4 181 B9R1.35 CC(C)C1=CSC(Br)=N1 B43291 [0,0,0,1,0,1|2,0,0]=4 182 B9R1.35 CC(C)C1=NC(Br)=CS1 B2063 [0,0,0,1,0,1|2,0,0]=4 183 B9R1.35 CC(C)C1=NC=C(Br)S1 B64788 [0,0,0,1,0,1|1,1,0]=4 184 B9R1.35 CC(C)C1=NN=C(N)O1 A12272 [0,0,0,1,0,1|2,0,0]=4 185 B9R1.35 CC1=CC(C(=O)O)=CN1 M43147 [0,0,0,1,0,1|0,0,2]=4 186 B9R1.35 CC1=CC(C(=O)O)=CS1 M5852 [0,0,0,1,0,1|0,0,2]=4 187 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,0,0,1,0,1|1,0,1]=4 188 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,0,0,1,0,1|1,0,1]=4 189 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,0,0,1,0,1|1,0,1]=4 190 B9R1.35 CC1=CN=C(C(=O)O)S1 M40996 [0,0,0,1,0,1|1,0,1]=4 191 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [0,0,0,1,0,1|1,0,1]=4 192 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [0,0,0,1,0,1|2,0,0]=4 193 B9R1.35 CC1=NC(C(=O)O)=CN1 M19958 [0,0,0,1,0,1|1,0,1]=4 194 B9R1.35 CC1=NC(C(=O)O)=CO1 M62066 [0,0,0,1,0,1|1,0,1]=4 195 B9R1.35 CC1=NC(C(=O)O)=CO1 M7132 [0,0,0,1,0,1|1,0,1]=4 196 B9R1.35 CC1=NC(C(=O)O)=CS1 M3047 [0,0,0,1,0,1|1,0,1]=4 197 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [0,0,0,1,0,1|1,0,1]=4 198 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [0,0,0,1,0,1|1,0,1]=4 199 B9R1.35 CN1C=C(C(=O)O)C=N1 M7676 [0,0,0,1,0,1|1,0,1]=4 200 B9R1.35 CN1C=CC(C(=O)O)=C1 M43143 [0,0,0,1,0,1|1,0,1]=4 201 B9R1.35 CN1C=CC(C(=O)O)=N1 M9460 [0,0,0,1,0,1|2,0,0]=4 202 B9R1.35 CN1C=NC(C(=O)O)=C1 M10536 [0,0,0,1,0,1|1,0,1]=4 203 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43384 [0,0,0,1,0,1|1,0,0]=3 204 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43553 [0,0,0,1,0,1|1,0,0]=3 205 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,0,0,1,0,1|0,0,2]=4 206 B9R1.10 CC1(C)C=CC(=O)CC1 D47014 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.10 CC1(C)OCC(=O)CO1 D25156 [0,1,0,1,0,0|1,0,1]=4 208 B9R1.55 CN1C[C@@H](C(=O)O)C1=O M60220 [0,1,0,1,0,0|1,0,1]=4 209 B9R1.69 CN1C=CC(=O)C(O)=C1 H43144 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.95 COC1CC(C(=O)O)C1 M11729 [0,1,0,1,0,0|0,0,2]=4 212 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 M11730 [0,1,0,1,0,0|0,0,2]=4 213 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 M11731 [0,1,0,1,0,0|0,0,2]=4 214 B9R1.95 NCC1CC(C(=O)O)C1 A15397 [0,1,0,1,0,0|0,0,2]=4 215 B9R1.95 NCC1CC(C(=O)O)C1 A30087 [0,1,0,1,0,0|0,0,2]=4 216 B9R1.95 O=C(O)C1CC(CO)C1 H11330 [0,1,0,1,0,0|0,0,2]=4 217 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [0,1,0,1,0,0|1,0,1]=4 218 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.38 CC1(C)NC(=O)NC1=O D10013 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.38 CC1(C)OC(=O)NC1=O D60733 [0,1,0,1,0,0|1,0,0]=3 221 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,1,0,1,0,0|0,0,2]=4 222 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,1,0,1,0,0|0,0,2]=4 223 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.164 CC1(C)C=C(C(=O)O)C1 D6362 [0,1,0,1,0,0|0,0,0]=2 225 B9R1.164 CC1(C)CC(C(=O)O)C1 D11728 [0,1,0,1,0,0|0,0,2]=4 226 B9R1.164 CC1(F)CC(C(=O)O)C1 C20596 [0,1,0,1,0,0|0,0,2]=4 227 B9R1.164 CC1(O)CC(C(=O)O)C1 H14479 [0,1,0,1,0,0|0,0,2]=4 228 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 F60006 [0,1,0,1,0,0|0,0,2]=4 229 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 H11742 [0,1,0,1,0,0|0,0,2]=4 230 B9R2.145 O=C(O)C12CC(C1)C2 B22451 [0,0,0,2,0,0|0,0,2]=4 231 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|0,0,2]=4 232 B5R0.5 CC(C)B(O)O P39893 [0,0,0,0,2,0|1,0,1]=4 233 B5R0.5 CC(C)C(=N)N B40303 [0,0,0,0,2,0|2,0,0]=4 234 B5R0.5 CC(C)C(N)=O I4848 [0,0,0,0,2,0|1,0,0]=3 235 B5R0.5 CC(C)C(N)=S M3101 [0,0,0,0,2,0|1,1,0]=4 236 B5R0.5 CC(C)[S@](=O)[O-] S66891 [0,0,0,0,2,0|1,0,1]=4 237 B5R0.5 CC(O)C(=O)[O-] C60888 [0,0,0,0,2,0|1,0,1]=4 238 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,0,0,0,2,0|1,0,0]=3 239 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,0,0,0,2,0|2,0,0]=4 240 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,0,0,0,2,0|2,0,0]=4 241 B5R0.5 C[C@H](N)C(=O)O A39925 [0,0,0,0,2,0|1,0,0]=3 242 B5R0.5 C[C@H](N)C(=O)O A60902 [0,0,0,0,2,0|1,0,0]=3