0 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 CC(C)OC(=O)OCI K62369 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.5 CCOC(=O)CC(N)=S E6802 [0,0,0,0,0,0|1,1,0]=2 7 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,0,0,0,0,0|1,0,1]=2 9 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.2 CCC(=O)CC(C)=O H69646 [1,0,0,0,0,0|0,0,0]=1 11 B7R0.2 CCC(=O)OC(C)=O A41227 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.2 COC(=O)C=C(C)C M41461 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.2 COC(=O)CC(=O)Cl M40174 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.2 COC(=O)CC(=O)O M37882 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.2 COC(=O)CC(=O)[O-] P67199 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.2 COC(=O)\C=C(\C)N M68908 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.4 CC(=O)CCCCBr B41532 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 CCCOCC(=O)O P40387 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 CCOC=CC(=O)O E41226 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.7 CC#CC(=O)OCC E36835 [1,0,0,0,0,0|0,0,2]=3 27 B7R0.7 CCNC(=O)NCC D40424 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.7 CCOC(=O)CCBr E39188 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.7 CCOC(=O)CCI E41273 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.7 CCOC(=O)CCO E36682 [1,0,0,0,0,0|0,0,2]=3 31 B7R0.7 CCOC(=O)CNC S69399 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.7 CCOC(=O)CNN E67459 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.7 CCOC(=O)CSC E40386 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.7 CCOC(=O)OCCl C38646 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,0,0,0,0,0|0,0,1]=2 36 B7R0.7 CCOC(=O)\C=C\I E41181 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.7 COCC(=O)COC D40391 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.4 C=CCOC(=O)CC(C)=O A39287 [0,1,0,0,0,0|0,0,1]=2 39 B9R0.4 CC(=O)CC(=O)NCCO H41517 [0,1,0,0,0,0|1,0,0]=2 40 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [0,1,0,0,0,0|1,0,2]=4 41 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [0,1,0,0,0,0|0,0,0]=1 42 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [0,1,0,0,0,0|0,0,0]=1 43 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,1,0,0,0,0|0,0,0]=1 44 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [0,1,0,0,0,0|0,0,2]=3 45 B9R0.6 CCOC(=O)[C@H](C)[N+](=O)[O-] E62825 [0,1,0,0,0,0|2,0,0]=3 46 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [0,1,0,0,0,0|1,0,1]=3 47 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,1,0,0,0,0|1,0,0]=2 48 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,1,0,0,0,0|0,0,0]=1 49 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,1,0,0,0,0|0,0,0]=1 50 B9R0.34 CCOC(=O)CC(=O)NN E40373 [0,1,0,0,0,0|1,0,0]=2 51 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [0,1,0,0,0,0|0,0,2]=3 52 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [0,1,0,0,0,0|0,0,2]=3 53 B9R0.34 CCOC(=O)NC(=O)CCl E62948 [0,1,0,0,0,0|1,0,0]=2 54 B9R0.44 CCOC(=O)CC(C)(C)N E38783 [0,1,0,0,0,0|1,0,1]=3 55 B9R0.44 CCOC(=O)CC(C)(C)O E43891 [0,1,0,0,0,0|0,0,2]=3 56 B9R0.44 CCOC(=O)CC(F)(F)F E41180 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.44 CCOC(=O)C[Si](C)(C)C E43949 [0,1,0,0,0,0|1,1,0]=3 58 B9R0.53 CC(C)OC(=O)OC(C)C D38665 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl C39199 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.53 CC(Cl)OC(=O)OC(C)Cl B41230 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,0,0,1,0,0|1,0,0]=2 62 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,0,0,1,0,0|1,0,1]=3 63 B9R1.34 O=C1CC(=O)OC(=O)C1 P40864 [0,0,0,1,0,0|1,0,1]=3 64 B9R1.41 CC(=O)N1CCNC1=O A41200 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,0,0,1,0,0|0,0,0]=1 66 B9R1.41 O=C(O)[C@@H]1CCNC1=O X15532 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,0,0,1,0,0|1,0,0]=2 69 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,0,0,1,0,0|1,0,0]=2 70 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.66 O=C1CS(=O)(=O)CCN1 T63235 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.75 CCOC(=O)CC1CC1 E29877 [0,0,0,1,0,0|1,0,1]=3 73 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,0,0,1,0,0|1,0,0]=2 74 B7R0.5 CC(C)C(=O)OCCl C24559 [0,0,0,0,1,0|2,0,1]=4 75 B7R0.5 CCC=C(C)C(=O)O M39198 [0,0,0,0,1,0|3,0,0]=4 76 B7R0.5 CCOC(=O)C(=O)O E36772 [0,0,0,0,1,0|1,0,0]=2 77 B7R0.5 CCOC(=O)C(C)=O E60800 [0,0,0,0,1,0|0,0,0]=1 78 B7R0.5 CCOC(=O)C(N)=O E60589 [0,0,0,0,1,0|1,0,0]=2 79 B7R0.5 CCOC(=O)C(N)=S E15645 [0,0,0,0,1,0|1,1,0]=3 80 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,0,0,0,1,0|1,0,1]=3 81 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,0,0,0,1,0|0,0,2]=3 82 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,0,0,0,1,0|1,0,1]=3 83 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,0,0,0,1,0|0,1,1]=3 84 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,0,0,0,1,0|3,0,0]=4 85 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,0,0,0,0,1|1,0,0]=2 86 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,0,0,0,0,1|0,0,0]=1 87 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,0,0,0,0,1|0,0,0]=1 88 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [0,0,0,0,0,1|2,0,1]=4 89 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [0,0,0,0,0,1|2,0,1]=4 90 B6R0.1 C#CCC(=O)OC M41116 [2,0,0,0,0,0|0,0,2]=4 91 B6R0.1 CC#CC(=O)OC M62298 [2,0,0,0,0,0|0,0,2]=4 92 B6R0.1 CC=CC(=O)CC H41457 [2,0,0,0,0,0|0,0,1]=3 93 B6R0.1 CCOC(=O)C#N E15572 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.1 CCOC(=O)CN G69291 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.1 CCOC(=O)CO E37817 [2,0,0,0,0,0|0,0,1]=3 96 B6R0.1 CCOC(=O)NN E39139 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.1 CCOC(=O)OC E40254 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.1 COC(=O)CC#N M68915 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.1 COC(=O)CCBr M39155 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.1 COC(=O)CCN M67902 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.1 COC(=O)CCO M24551 [2,0,0,0,0,0|0,0,2]=4 102 B6R0.1 COC(=O)OCCl C62332 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.1 COC(=O)\C=C/Br B3417 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.1 COC(=O)\C=C/I I2748 [2,0,0,0,0,0|1,0,1]=4 105 B6R0.1 COC(=O)\C=C\I M40173 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.2 CC(=O)C=C(C)N A41256 [2,0,0,0,0,0|1,0,1]=4 107 B6R0.2 C[C@@H](N)CC(=O)O A37837 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.2 C[C@@H](N)CC(=O)O A40348 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.2 C[C@H](N)CC(=O)O A40265 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.2 C[C@H](O)CC(=O)O H38871 [2,0,0,0,0,0|0,0,2]=4 111 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.4 COC=CC(C)=O M41222 [2,0,0,0,0,0|0,0,1]=3 114 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|1,0,1]=4 115 B8R0.2 COC(=O)C(N)C(C)O M41339 [1,1,0,0,0,0|0,0,2]=4 116 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [1,1,0,0,0,0|1,0,0]=3 117 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [1,1,0,0,0,0|0,0,0]=2 118 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O M41184 [1,1,0,0,0,0|0,0,0]=2 119 B8R0.2 COC(=O)[C@@H](N)C(C)=O M41375 [1,1,0,0,0,0|0,0,0]=2 120 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T41338 [1,1,0,0,0,0|0,0,2]=4 122 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O M41341 [1,1,0,0,0,0|0,0,2]=4 123 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.16 COC(CC(C)=O)OC D39203 [1,1,0,0,0,0|0,0,2]=4 125 B8R0.19 CCC(=O)CC(=O)CC H43801 [1,1,0,0,0,0|0,0,0]=2 126 B8R0.19 CCC(=O)CC(=O)OC M39036 [1,1,0,0,0,0|0,0,0]=2 127 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.19 CNC(C)=CC(=O)OC M41506 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.19 COC(=O)CC(=O)CCl M61620 [1,1,0,0,0,0|0,0,0]=2 130 B8R0.19 COC(=O)CC(=O)OC D60836 [1,1,0,0,0,0|0,0,0]=2 131 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [1,1,0,0,0,0|0,0,2]=4 132 B8R0.19 COC(=O)\C=C(/C)OC M5601 [1,1,0,0,0,0|0,0,2]=4 133 B8R0.24 COC(=O)CC(C)(C)O M41558 [1,1,0,0,0,0|0,0,2]=4 134 B8R0.24 COC(=O)CS(=O)(=O)Cl M39862 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.24 COC(=O)CS(C)(=O)=O M40262 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.6 CCCC=CC(=O)OC M43802 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.6 CCCCCC(=O)CBr B43868 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.7 NCCOCCC(=O)O A40415 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.7 O=C(O)CCOCCBr B41274 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.1 CCOC(=O)CCC#N E63052 [1,1,0,0,0,0|0,0,2]=4 141 B8R0.1 CCOC(=O)CCCBr B69333 [1,1,0,0,0,0|0,0,1]=3 142 B8R0.1 CCOC(=O)CCCI E31893 [1,1,0,0,0,0|0,0,1]=3 143 B8R0.1 CCOC(=O)CCCN E43487 [1,1,0,0,0,0|0,0,1]=3 144 B8R0.1 CCOC(=O)CCNC E41584 [1,1,0,0,0,0|0,0,1]=3 145 B8R0.1 CCOC(=O)CCSC E39202 [1,1,0,0,0,0|0,0,1]=3 146 B8R0.1 CCOC(=O)\C=C\C=O E69342 [1,1,0,0,0,0|0,0,1]=3 147 B8R0.1 CCOC(=O)\C=C\CBr E43399 [1,1,0,0,0,0|0,0,1]=3 148 B8R0.1 CCOCC(=O)OCC E41554 [1,1,0,0,0,0|0,0,1]=3 149 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,1,0,0,0,0|0,0,2]=4 150 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [1,1,0,0,0,0|0,0,1]=3 152 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [1,1,0,0,0,0|0,0,1]=3 153 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [1,1,0,0,0,0|0,0,2]=4 154 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [1,1,0,0,0,0|0,0,2]=4 155 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [1,1,0,0,0,0|0,1,1]=4 156 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [1,1,0,0,0,0|1,0,1]=4 157 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [1,1,0,0,0,0|0,0,2]=4 158 B10R0.26 CCOC(=O)CC(=O)C(C)C E47096 [0,1,0,0,0,1|1,0,1]=4 159 B10R0.26 CCOC(=O)CN(C)C(=N)N E43476 [0,1,0,0,0,1|2,0,0]=4 160 B10R0.108 CCOC(=O)CNC(=O)OC E41521 [0,1,0,0,0,1|0,0,0]=2 161 B10R0.18 C#CCCC(=O)CC(=O)OC M61281 [0,2,0,0,0,0|1,0,1]=4 162 B10R0.18 CCCCC(=O)CC(=O)OC M47093 [0,2,0,0,0,0|1,0,0]=3 163 B10R0.44 COC(=O)CC(=O)CC(C)=O M43730 [0,2,0,0,0,0|1,0,1]=4 164 B10R0.44 COC(=O)CC(=O)CC(C)C M47097 [0,2,0,0,0,0|1,0,0]=3 165 B10R0.36 CCOC(=O)C(C)(C)C(=O)O E36691 [0,2,0,0,0,0|1,0,0]=3 166 B10R0.100 CCOC(=O)[C@@H](Br)C(C)(C)Br E43809 [0,2,0,0,0,0|1,0,1]=4 167 B10R0.101 CCOC(=O)[C@@H](CC)C(C)=O E47095 [0,2,0,0,0,0|0,0,0]=2 168 B10R0.101 CCOC(=O)\C(C#N)=C(\C)O E66110 [0,2,0,0,0,0|0,0,2]=4 169 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,2,0,0,0,0|0,0,0]=2 170 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,2,0,0,0,0|0,0,2]=4 171 B10R0.2 CCOC(=N)CC(=O)OCC E37761 [0,2,0,0,0,0|1,0,0]=3 172 B10R0.2 CCOC(=O)CC(=O)COC E69590 [0,2,0,0,0,0|0,0,0]=2 173 B10R0.2 CCOC(=O)C[C@H](O)CC#N E67509 [0,2,0,0,0,0|0,0,2]=4 174 B10R0.2 CCOC(=O)NC(=O)CC#N C43243 [0,2,0,0,0,0|1,0,0]=3 175 B10R0.7 CCOC(=O)CC(C)(C)CN D64492 [0,2,0,0,0,0|1,0,1]=4 176 B10R0.31 CC(=O)CC(=O)SC(C)(C)C B64429 [0,2,0,0,0,0|0,1,0]=3 177 B10R0.31 CC(C)(C)OC(=O)CC(=O)O B39291 [0,2,0,0,0,0|1,0,0]=3 178 B10R0.31 CC(C)(C)OC(=O)CC(=O)[O-] P61500 [0,2,0,0,0,0|1,0,0]=3 179 B8R1.1 COC1=CC(=O)CC1 M61379 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,1,0,0|1,0,1]=4 183 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|0,0,2]=4 184 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,1,0,0|1,0,1]=4 185 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|0,0,2]=4 188 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|0,0,2]=4 189 B8R1.4 NC1=CC(=O)CCC1 A9456 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.4 O=C1CCCC(=O)C1 C38740 [1,0,0,1,0,0|0,0,0]=2 191 B8R1.4 O=C1CCCC(=O)N1 P69653 [1,0,0,1,0,0|1,0,0]=3 192 B8R1.4 O=C1CCNC(=O)C1 P7969 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.4 O=C1CNCC(=O)N1 P10757 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.4 O=C1COCC(=O)C1 P7984 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.4 O=C1CSCC(=O)C1 T15232 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [1,0,0,1,0,0|0,0,2]=4 199 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.31 O=C(O)[C@@H]1CNC1=O X11510 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.40 COC(=O)CC1CC1 M11217 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.51 O=C1CCS(=O)(=O)C1 D8866 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.7 O=C(O)C1=COCC1 D8190 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.22 O=C1C=CCCCC1 C67890 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.22 O=C1CCCNCC1 H12307 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.22 O=C1CCOCCN1 X16165 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.11 CC[C@H]1CCCC1=O E43799 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.37 CCOC(=O)C1CC1 E41463 [1,0,0,1,0,0|0,0,1]=3 217 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.5 O=C1CCCC=C1Br B3408 [0,0,0,1,1,0|2,0,0]=4 219 B8R1.5 O=C1CCCCC1=O C67839 [0,0,0,1,1,0|1,0,0]=3 220 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,0,0,1,1,0|2,0,0]=4 221 B10R1.64 CC(=O)O[C@H]1CCNC1=O X43385 [0,0,0,1,0,1|1,0,0]=3 222 B10R1.64 O=C(O)CN1CCCC1=O X67679 [0,0,0,1,0,1|2,0,0]=4 223 B10R1.64 O=C(O)CN1CCNC1=O X41201 [0,0,0,1,0,1|2,0,0]=4 224 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 P69097 [0,0,0,1,0,1|2,0,0]=4 225 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 X43724 [0,0,0,1,0,1|2,0,0]=4 226 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 X63709 [0,0,0,1,0,1|2,0,0]=4 227 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 X1724 [0,0,0,1,0,1|2,0,0]=4 228 B10R1.140 CCOC(=O)C1CC(=O)C1 E1322 [0,0,0,1,0,1|0,0,0]=2 229 B10R1.140 CCOC(=O)C1CC(N)C1 E46491 [0,0,0,1,0,1|1,0,1]=4 230 B10R1.140 CCOC(=O)C1CC(O)C1 SB8081 [0,0,0,1,0,1|0,0,2]=4 231 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 E13475 [0,0,0,1,0,1|0,0,2]=4 232 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 E10943 [0,0,0,1,0,1|0,0,2]=4 233 B10R1.266 CC(=O)CC(=O)C1CCC1 C6255 [0,1,0,1,0,0|1,0,0]=3 234 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 E7311 [0,1,0,1,0,0|1,0,1]=4 235 B10R1.25 CC[C@H]1CNC(=O)CC1=O E14290 [0,1,0,1,0,0|1,0,0]=3 236 B10R1.194 CN1CC[C@@H](C(=O)O)C1=O M22957 [0,1,0,1,0,0|2,0,0]=4 237 B10R1.134 COC(=O)CC(=O)C1CC1 C12469 [0,1,0,1,0,0|1,0,0]=3 238 B10R1.135 CCOC(=O)C1CC1C#N M24297 [0,1,0,1,0,0|1,0,1]=4 239 B10R1.135 CCOC(=O)C1CC1C=O E43726 [0,1,0,1,0,0|0,0,1]=3 240 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N E29920 [0,1,0,1,0,0|1,0,1]=4 241 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N E29838 [0,1,0,1,0,0|1,0,1]=4 242 B10R1.137 CCOC(=O)C=C1CCC1 E47017 [0,1,0,1,0,0|1,0,1]=4 243 B10R1.137 CCOC(=O)C=C1COC1 E1599 [0,1,0,1,0,0|0,0,2]=4 244 B10R1.149 COC(=O)[C@@H]1CCCC1=O M11030 [0,1,0,1,0,0|1,0,0]=3 245 B10R1.149 COC(=O)[C@@H]1CCOC1=O M43315 [0,1,0,1,0,0|0,0,0]=2 246 B10R1.149 COC(=O)[C@@H]1COCC1=O M1625 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.149 COC(=O)[C@@H]1SCCC1=O M38166 [0,1,0,1,0,0|2,0,0]=4 248 B10R1.181 CCOC(=O)CC1(N)CC1 E17522 [0,1,0,1,0,0|1,0,1]=4 249 B10R1.256 CCC1=C(C)C(=O)NC1=O E32183 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.329 CC1(C)CC(=O)CC(=O)N1 D67601 [0,1,0,1,0,0|1,0,0]=3 251 B10R1.329 CC1(C)CC(=O)NC(=O)C1 D16646 [0,1,0,1,0,0|2,0,0]=4 252 B10R2.71 O=C1CC2CCC(C1)O2 X10656 [0,0,0,2,0,0|1,0,1]=4 253 B6R0.3 C=C(Br)C(=O)OC M40168 [1,0,0,0,1,0|1,0,1]=4 254 B6R0.3 C=C(F)C(=O)OC M40171 [1,0,0,0,1,0|1,0,1]=4 255 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,0,0,0,1,0|1,0,0]=3 256 B6R0.3 CCC(=O)N(C)C D67412 [1,0,0,0,1,0|2,0,0]=4 257 B6R0.3 CCN(C)C(C)=O E40404 [1,0,0,0,1,0|2,0,0]=4 258 B6R0.3 COC(=O)[C@@H](C)O M68913 [1,0,0,0,1,0|0,0,2]=4 259 B6R0.3 COC(=O)[C@H](C)Cl M68359 [1,0,0,0,1,0|1,0,1]=4 260 B6R0.3 COC(=O)[C@H](C)N A68085 [1,0,0,0,1,0|1,0,1]=4 261 B6R0.3 COC(=O)[C@H](C)N M68343 [1,0,0,0,1,0|1,0,1]=4 262 B6R0.3 COC(=O)[C@H](C)O M69777 [1,0,0,0,1,0|0,0,2]=4 263 B6R0.3 CON(C)C(C)=O M3307 [1,0,0,0,1,0|2,0,0]=4 264 B10R0.3 C=C(C)CCCC(=O)OCC E50504 [0,0,0,0,0,2|1,0,0]=3 265 B10R0.3 CCOC(=O)CCCC(=O)O E43824 [0,0,0,0,0,2|1,0,0]=3 266 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [0,0,0,0,0,2|0,0,0]=2