0 B7R0.5 CC(C)C(=O)CC#N M43378 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.5 CC(C)C(=O)OCCl C24559 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.5 CCOC(=O)C(=O)O E36772 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.5 CCOC(=O)C(C)=O E60800 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.5 CCOC(=O)C(N)=O E60589 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.5 CCOC(=O)C(N)=S E15645 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.1 C=C(OCC)[Zn]Cl E4486 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 CC#CC(=O)OC M62298 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CC=CC(=O)CC H41457 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CCOC(=O)C#N E15572 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.1 CCOC(=O)CN G69291 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.1 CCOC(=O)CO E37817 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CCOC(=O)NN E39139 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CCOC(=O)OC E40254 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.1 CCO\C(C)=N\O E68624 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 CNC(=O)CCN A40306 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 COC(=O)CCBr M39155 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 COC(=O)CCN M67902 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 COC(=O)CCO M24551 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 COC(=O)OCCl C62332 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.3 C=C(Br)C(=O)OC M40168 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.3 C=C(F)C(=O)OC M40171 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.3 CC(C)C(=O)NN I0020 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.3 CC(C)[C@@H](N)CO V15808 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.3 CC(C)[C@H](N)CO V40442 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.3 CC(C)\C(N)=N\O H39948 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.3 CCC(=O)N(C)C D67412 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.3 CN(C)C(=O)CBr B40249 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.3 CN(C)C(=O)CN A39947 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.3 CN(C)C(=O)CN A40307 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.3 CN(C)C(=O)CN A61441 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.3 CN(C)C(=O)CO H40267 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.3 CNC(=O)[C@H](C)N A40308 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.3 COC(=O)[C@@H](C)O M68913 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.3 COC(=O)[C@H](C)Cl M68359 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.3 COC(=O)[C@H](C)N A68085 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.3 COC(=O)[C@H](C)N M68343 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.3 COC(=O)[C@H](C)O M69777 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.4 CC(C)=CCCBr B0351 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.4 CC(C)CCCO M67872 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 CC(C)NCCCl C40431 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 CC(C)OCCBr B69154 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,1,0,0,0,0|3,0,0]=4 50 B8R0.2 CON(C)C(=O)C(C)C M16724 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.3 C=C(CBr)C(=O)OCC E43400 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.3 C=C(CO)C(=O)OCC E41470 [0,1,0,0,0,0|0,0,2]=3 53 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.3 CCOC(=O)C(=O)NN E36826 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.3 CCOC(=O)C(N)=NO E40243 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,1,0,0,0,0|1,0,0]=2 61 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [0,1,0,0,0,0|0,0,1]=2 65 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.3 CCOC(=O)\C(Cl)=N\O E2979 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.14 CC(C)(C)C(=O)CC#N P60982 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.14 CC(C)(C)C(=O)CC=O D8624 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.14 CC(C)(C)C(=O)OCCl P69131 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.14 CC(C)(C)C(=O)OCI K62297 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,1,0,0,0,0|1,0,1]=3 74 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [0,1,0,0,0,0|1,0,0]=2 76 B8R1.5 CC1=NCCCN1C D39201 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.5 CN1CCNCC1=O M12652 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.5 CN1CCNCC1=O M4395 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,0,0|1,0,0]=2 81 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,1,0,0|1,0,0]=2 82 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.5 NN1CCCCC1=O A41312 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.5 O=C1CCCCC1=O C67839 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,0,0,1,0,0|1,0,1]=3 106 B8R1.19 CC1(C)CCNC1=O D13691 [0,0,0,1,0,0|1,0,0]=2 107 B8R1.19 O=C1NCCC1(F)F D29703 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.37 CCOC(=O)C1CC1 E41463 [0,0,0,1,0,0|0,0,0]=1 109 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [0,0,0,1,0,0|1,0,0]=2 110 B8R1.37 N#CCC(=O)C1CC1 C12507 [0,0,0,1,0,0|2,0,1]=4 111 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,0,0,0,0,1|1,0,0]=2 112 B8R0.5 CC(C)OC(=O)OCI K62369 [0,0,0,0,0,1|1,0,0]=2 113 B8R0.5 CC(C)OC(=O)\C=C/I P67231 [0,0,0,0,0,1|2,0,1]=4 114 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,0,0,0,0,1|2,0,1]=4 115 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,0,0,0,0,1|2,0,1]=4 116 B8R0.5 CCOC(=O)CC(N)=S E6802 [0,0,0,0,0,1|2,0,1]=4 117 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,0,0,0,0,1|1,0,0]=2 118 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,0,0,0,0,1|1,0,0]=2 119 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,0,0,0,0,1|1,0,0]=2 120 B8R0.5 COCC(=O)OC(C)C P65707 [0,0,0,0,0,1|2,0,0]=3 121 B5R0.1 C=C(C)OCC E5573 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 CC(C)\C=N\O I2624 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 CCC[C@@H](C)N P16023 [2,0,0,0,0,0|1,0,1]=4 125 B5R0.1 CCC[C@H](C)N P22363 [2,0,0,0,0,0|1,0,1]=4 126 B5R0.1 CCOC(=N)N E36845 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 CCOC(=S)[S-] P69346 [2,0,0,0,0,0|1,1,0]=4 128 B5R0.1 CCOC(C)=N E68065 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 COC[C@@H](C)N M40311 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 COC[C@@H](C)O M39959 [2,0,0,0,0,0|1,0,1]=4 131 B5R0.1 COC[C@H](C)O M61064 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.2 CCO\C=C/Br B2725 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.3 C#CC(=O)OC M40108 [2,0,0,0,0,0|0,0,2]=4 134 B5R0.3 CCC(=O)CN A32390 [2,0,0,0,0,0|1,0,0]=3 135 B5R0.3 CCC(=O)CO H36713 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.3 CCC(N)CC P40440 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.3 CNC(=O)CBr B60913 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.3 CNC(=O)CCl C67921 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.3 COC(=O)CN M69126 [2,0,0,0,0,0|1,0,0]=3 140 B5R0.3 COC(=O)CO M67586 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.3 O=C(CCl)CCl D4849 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.5 CC(C)B(O)O P39893 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.5 CC(C)C(=N)N B40303 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.5 CC(C)C(N)=O I4848 [2,0,0,0,0,0|1,0,0]=3 145 B5R0.5 CC(C)C(N)=S M3101 [2,0,0,0,0,0|1,1,0]=4 146 B5R0.5 CC(C)[S@](=O)[O-] S66891 [2,0,0,0,0,0|1,0,1]=4 147 B5R0.5 CC(O)C(=O)[O-] C60888 [2,0,0,0,0,0|1,0,1]=4 148 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.5 C[C@@H](N)C(N)=O A69602 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.5 C[C@@H](O)C(N)=O H68918 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.5 C[C@H](N)C(=O)O A39925 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.5 C[C@H](N)C(=O)O A60902 [2,0,0,0,0,0|1,0,0]=3 153 B7R0.2 CC(C)NC(=O)CCl P40378 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.2 CC(C)OC(=O)CO I38145 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.2 CCC(=O)OC(C)=O A41227 [1,1,0,0,0,0|0,0,1]=3 157 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.3 C=CCOC(=O)CI P7846 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.3 CCCOC(=O)OC M40388 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.3 CNCCC(=O)OC M40412 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.3 COC(=O)CCCBr M39189 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.3 COC(=O)CCCCl M60517 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.3 COC(=O)CCCN M32376 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.7 CC#CC(=O)OCC E36835 [1,1,0,0,0,0|0,0,1]=3 167 B7R0.7 CCNC(=O)NCC D40424 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.7 CCOC(=O)CCBr E39188 [1,1,0,0,0,0|0,0,0]=2 169 B7R0.7 CCOC(=O)CCI E41273 [1,1,0,0,0,0|0,0,0]=2 170 B7R0.7 CCOC(=O)CCO E36682 [1,1,0,0,0,0|0,0,0]=2 171 B7R0.7 CCOC(=O)CNC S69399 [1,1,0,0,0,0|0,0,0]=2 172 B7R0.7 CCOC(=O)CNN E67459 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.7 CCOC(=O)CSC E40386 [1,1,0,0,0,0|0,0,0]=2 174 B7R0.7 CCOC(=O)OCCl C38646 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,1,0,0,0,0|0,0,2]=4 176 B7R0.7 CCOC(=O)\C=C\I E41181 [1,1,0,0,0,0|0,0,2]=4 177 B7R0.7 COCC(=O)COC D40391 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.7 O=C(CCCl)CCCl D67616 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.10 CCC(=O)C(=O)CC H41459 [1,1,0,0,0,0|1,0,0]=3 180 B7R0.10 CCC(=O)N(C)OC M40411 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.10 CC[C@H](N)C(=O)OC M40408 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.10 CC[C@H](N)C(=O)OC M41330 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.10 CC[C@H](N)C(=O)OC M41334 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.14 CC(C)(C)C(=O)NN D40427 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.14 CC(C)(O)C(=O)NN H39949 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.14 COC(=O)C(C)(C)F M41271 [1,1,0,0,0,0|0,0,0]=2 189 B7R0.14 COC(=O)C(C)(C)N M67502 [1,1,0,0,0,0|0,0,0]=2 190 B7R0.15 CC[C@@H](CO)C(C)C E43948 [1,1,0,0,0,0|0,0,2]=4 191 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.16 CC(C)C(N)C(C)C D46525 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.16 CN(C)C(=O)N(C)C T60681 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.4 CC(C)CCCCBr B43898 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [0,1,0,0,0,1|1,0,0]=3 196 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [0,1,0,0,0,1|1,0,1]=4 197 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [0,1,0,0,0,1|1,0,1]=4 198 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,1,0,0,0,1|1,0,1]=4 199 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [0,1,0,0,0,1|1,0,0]=3 200 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [0,1,0,0,0,1|0,0,0]=2 201 B9R0.23 CC(C)OC(=O)C(=O)CBr P65399 [0,1,0,0,0,1|2,0,0]=4 202 B9R0.23 CC(C)OC(=O)[C@@H](N)CO S60921 [0,1,0,0,0,1|2,0,0]=4 203 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,1,0,0,0,1|1,0,1]=4 204 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,1,0,0,0,1|1,0,1]=4 205 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [0,1,0,0,0,1|1,0,0]=3 206 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [0,1,0,0,0,1|1,0,0]=3 207 B9R0.34 CCOC(=O)NC(=O)CCl E62948 [0,1,0,0,0,1|1,0,1]=4 208 B9R0.44 CC(C)(C)OC(=O)CCBr B43863 [0,1,0,0,0,1|2,0,0]=4 209 B9R0.44 CC(C)(C)OC(=O)CCN B43925 [0,1,0,0,0,1|2,0,0]=4 210 B9R0.44 CC(C)(C)OC(=O)CCN B67888 [0,1,0,0,0,1|2,0,0]=4 211 B9R0.44 CCNC(=O)OC(C)(C)C B43922 [0,1,0,0,0,1|1,0,0]=3 212 B9R0.44 CCOC(=O)CC(C)(C)N E38783 [0,1,0,0,0,1|0,0,0]=2 213 B9R0.44 CCOC(=O)CC(C)(C)O E43891 [0,1,0,0,0,1|0,0,0]=2 214 B9R0.44 CCOC(=O)CC(F)(F)F E41180 [0,1,0,0,0,1|2,0,0]=4 215 B9R0.44 CCOC(=O)C[Si](C)(C)C E43949 [0,1,0,0,0,1|0,1,0]=3 216 B9R0.44 CNCC(=O)OC(C)(C)C B43929 [0,1,0,0,0,1|2,0,0]=4 217 B9R0.44 CNNC(=O)OC(C)(C)C M37037 [0,1,0,0,0,1|2,0,0]=4 218 B9R0.44 CONC(=O)OC(C)(C)C M38869 [0,1,0,0,0,1|2,0,0]=4 219 B9R0.53 CC(C)OC(=O)OC(C)C D38665 [0,1,0,0,0,1|0,0,0]=2 220 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl C39199 [0,1,0,0,0,1|0,0,0]=2 221 B9R0.53 CC(Cl)OC(=O)OC(C)Cl B41230 [0,1,0,0,0,1|1,0,0]=3 222 B9R0.25 CON(C)C(=O)C(C)(C)C M43924 [0,2,0,0,0,0|2,0,0]=4 223 B9R0.8 CON(C)C(=O)CCCCl C41545 [0,2,0,0,0,0|2,0,0]=4 224 B9R0.19 CCOC(=O)C(C)(C)CN E46520 [0,2,0,0,0,0|0,0,0]=2 225 B9R0.19 CCOC(=O)C(C)(C)CO E43892 [0,2,0,0,0,0|0,0,0]=2 226 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,2,0,0,0,0|0,0,0]=2 228 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,2,0,0,0,0|1,0,0]=3 229 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.37 CCOC(=O)C(C=O)C=O E8184 [0,2,0,0,0,0|0,0,2]=4 231 B9R0.37 CCOC(=O)C(CO)CO E64559 [0,2,0,0,0,0|0,0,0]=2 232 B9R0.37 CCOC(=O)[C@@H](C#N)CC E43773 [0,2,0,0,0,0|0,0,1]=3 233 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C C38219 [0,2,0,0,0,0|1,0,1]=4 234 B9R0.47 CCCCOC(=O)[C@H](C)N B43923 [0,2,0,0,0,0|1,0,0]=3 235 B9R0.57 CN(N)C(=O)OC(C)(C)C B41611 [0,2,0,0,0,0|2,0,0]=4 236 B9R0.57 CN(O)C(=O)OC(C)(C)C B41593 [0,2,0,0,0,0|2,0,0]=4 237 B9R0.57 C[C@@H](N)C(=O)OC(C)(C)C B68965 [0,2,0,0,0,0|1,0,0]=3 238 B9R0.57 C[C@@H](O)C(=O)OC(C)(C)C B64149 [0,2,0,0,0,0|1,0,0]=3 239 B9R0.57 C[C@H](Br)C(=O)OC(C)(C)C B23452 [0,2,0,0,0,0|1,0,0]=3 240 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C B67916 [0,2,0,0,0,0|1,0,0]=3 241 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C B64150 [0,2,0,0,0,0|1,0,0]=3 242 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|1,0,1]=4 243 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|1,0,0]=3 247 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.2 O=C1OC[C@H](F)O1 F39135 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,0]=3 251 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.3 O=C1CNCCN1 P10419 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.3 O=C1COCCN1 M7700 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|1,0,0]=3 261 B7R1.3 O=C1CSCCN1 T40230 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.4 CN1CCNC1=O M40241 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|1,0,0]=3 265 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,0]=3 266 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|0,0,0]=2 267 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.4 N[C@H]1CCNC1=O A24294 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,1,0,0|1,0,0]=3 272 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,1,0,0|1,0,0]=3 273 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.4 O=C1NCC[C@H]1O H40227 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.22 CCC(=O)C1CC1 C24823 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.17 CC1(C)CCC1=O D60316 [1,0,0,1,0,0|0,0,0]=2 280 B7R1.17 CC1(C)CC[C@@H]1O D60329 [1,0,0,1,0,0|0,0,2]=4 281 B7R1.14 CC1(C)CCCN1 D24602 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.14 CC1(C)CCNC1 D1149 [1,0,0,1,0,0|1,0,1]=4 283 B7R1.14 C[C@]1(N)CCOC1 A11772 [1,0,0,1,0,0|1,0,1]=4 284 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,0,0,1,0,1|2,0,0]=4 285 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,0,0,1,0,1|1,0,1]=4 286 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,0,0,1,0,1|1,0,1]=4 287 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,0,0,1,0,1|2,0,0]=4 288 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,0,0,1,0,1|2,0,0]=4 289 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,0,0,1,0,1|2,0,0]=4 290 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,0,0,1,0,1|1,0,0]=3 291 B9R1.75 CCOC(=O)CC1CC1 E29877 [0,0,0,1,0,1|0,0,0]=2 292 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,1,0,1,0,0|1,0,1]=4 293 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.37 C[C@H]1C(=O)OC(=O)N1C D24385 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.101 CON(C)C(=O)C1CC1 M20018 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.110 CN(C)C(=O)C1CNC1 D1324 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D13688 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D43469 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D13682 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D30098 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.73 CCOC(=N)C1CCC1 E64744 [0,1,0,1,0,0|1,0,0]=3 318 B9R1.73 CCOC(=O)C1CNC1 E0677 [0,1,0,1,0,0|0,0,0]=2 319 B9R1.74 CCOC(=O)C1(Br)CC1 E26278 [0,1,0,1,0,0|0,0,0]=2 320 B9R1.74 CCOC(=O)C1(C)CC1 E43807 [0,1,0,1,0,0|0,0,0]=2 321 B9R1.74 CCOC(=O)C1(N)CC1 E67975 [0,1,0,1,0,0|0,0,0]=2 322 B9R1.74 CCOC(=O)C1(O)CC1 E19212 [0,1,0,1,0,0|0,0,0]=2 323 B9R1.23 CN1C[C@@H](CN)CC1=O A10326 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.40 CC1(C)CCCOC1=O D63281 [0,1,0,1,0,0|0,0,0]=2 325 B9R1.40 CC1(C)CNCCC1=O D11692 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.40 CC1(C)COCCC1=O D24609 [0,1,0,1,0,0|1,0,0]=3 327 B9R1.40 CC1(C)NCCNC1=O D10774 [0,1,0,1,0,0|1,0,0]=3 328 B9R1.106 CC1(C)C(=O)CCC1=O D43718 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.106 CC1(C)C(=O)NC[C@@H]1N A20133 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.106 CC1(C)C(=O)NC[C@@H]1N A20919 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.106 CC1(C)C(=O)NC[C@H]1N A20868 [0,1,0,1,0,0|1,0,0]=3 332 B9R2.19 O=C1NCC2CC1N2 X13999 [0,0,0,2,0,0|2,0,0]=4 333 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,2,0,0|1,0,0]=3 334 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,2,0,0|0,0,0]=2 335 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,2,0,0|1,0,0]=3 336 B9R2.53 O=C1C2CNCC1C2 A20053 [0,0,0,2,0,0|2,0,0]=4 337 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,2,0,0|1,0,0]=3 338 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,2,0,0|2,0,0]=4 339 B9R2.25 O=C1OC(=O)C2CC12 X24282 [0,0,0,2,0,0|1,0,1]=4 340 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,0,0,0,0,2|0,0,2]=4 341 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,0,0,0,0,2|1,0,1]=4 342 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,0,0,0,0,2|1,0,1]=4 343 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [0,0,0,0,0,2|1,0,0]=3 344 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [0,0,0,0,0,2|1,0,0]=3