0 B7R0.7 CC#CC(=O)OCC E36835 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.7 CCNC(=O)NCC D40424 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.7 CCOC(=O)CCBr E39188 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.7 CCOC(=O)CCI E41273 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.7 CCOC(=O)CCO E36682 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.7 CCOC(=O)CNC S69399 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.7 CCOC(=O)CNN E67459 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.7 CCOC(=O)CSC E40386 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.7 CCOC(=O)OCCl C38646 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.7 CCOC(=O)\C=C\I E41181 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.7 CCOC(C)=NC#N E41191 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.7 COCC(=O)COC D40391 [0,0,0,0,0,0|2,1,0]=3 13 B7R0.7 O=C(CCCl)CCCl D67616 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.1 C#CCC(=O)OC M41116 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.1 C=C(OCC)[Zn]Cl E4486 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 CC#CC(=O)OC M62298 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.1 CC=CC(=O)CC H41457 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 CCOC(=O)C#N E15572 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.1 CCOC(=O)CN G69291 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.1 CCOC(=O)CO E37817 [1,0,0,0,0,0|0,1,0]=2 22 B6R0.1 CCOC(=O)NN E39139 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 CCOC(=O)OC E40254 [1,0,0,0,0,0|0,1,0]=2 24 B6R0.1 CCO\C(C)=N\O E68624 [1,0,0,0,0,0|2,1,0]=4 25 B6R0.1 CNC(=O)CC#N C40181 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 CNC(=O)CCN A40306 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.1 COC(=O)C#CBr M38132 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 COC(=O)CC#N M68915 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.1 COC(=O)CCBr M39155 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.1 COC(=O)CCN M67902 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 COC(=O)CCO M24551 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.1 COC(=O)OCCl C62332 [1,0,0,0,0,0|1,1,0]=3 33 B6R0.1 COC(=O)\C=C/Br B3417 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 COC(=O)\C=C/I I2748 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.1 COC(=O)\C=C\I M40173 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 COCC(=O)NN M39884 [1,0,0,0,0,0|2,1,0]=4 37 B6R0.6 CCCCCNC M41618 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 CCC\C=C\CO H41550 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.6 CCOCCC#N E41255 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.1 CCOC(=O)CCC#N E63052 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.1 CCOC(=O)CCCBr B69333 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.1 CCOC(=O)CCCI E31893 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.1 CCOC(=O)CCCN E43487 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.1 CCOC(=O)CCNC E41584 [0,1,0,0,0,0|1,0,0]=2 45 B8R0.1 CCOC(=O)CCSC E39202 [0,1,0,0,0,0|0,0,0]=1 46 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.1 CCOCC(=O)OCC E41554 [0,1,0,0,0,0|0,1,0]=2 49 B8R0.3 C=C(CBr)C(=O)OCC E43400 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.3 C=C(CO)C(=O)OCC E41470 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.3 CCOC(=O)C(=O)NN E36826 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.3 CCOC(=O)C(N)=NO E40243 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,1,0,0,0,0|2,0,0]=3 60 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.3 CCOC(=O)\C(Cl)=N\O E2979 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.5 CC(C)OC(=O)OCI K62369 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.5 CC(C)OC(=O)\C=C/I P67231 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.5 CCOC(=O)CC(N)=S E6802 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.5 COCC(=O)OC(C)C P65707 [0,1,0,0,0,0|0,1,0]=2 75 B8R0.22 CCCN(C=O)CCC D43905 [0,1,0,0,0,0|3,0,0]=4 76 B8R0.30 CCOP(=O)([O-])OCC E54072 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,1,0,0|1,0,0]=2 80 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,1,0,0|1,1,0]=3 84 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.8 CCO[C@@H]1CCNC1 E13930 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.8 CCO[C@H]1CCNC1 E14045 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.11 N#C[C@H]1CSCC1=O X13820 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.37 CCOC(=O)C1CC1 E41463 [0,0,0,1,0,0|1,0,0]=2 118 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [0,0,0,1,0,0|0,1,0]=2 119 B8R1.37 N#CCC(=O)C1CC1 C12507 [0,0,0,1,0,0|3,0,0]=4 120 B5R0.1 C#CCC(=O)O B38084 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 C=C(C)OCC E5573 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 CC#CC(=O)O B67945 [2,0,0,0,0,0|1,0,1]=4 123 B5R0.1 CC(=O)CC#N X40158 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 CCOC(=N)N E36845 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 CCOC(=S)[S-] P69346 [2,0,0,0,0,0|0,1,1]=4 127 B5R0.1 CCOC(C)=N E68065 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|0,1,0]=3 131 B5R0.1 NOCC(=O)O C40302 [2,0,0,0,0,0|1,1,0]=4 132 B5R0.2 CCO\C=C/Br B2725 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.2 CNCCOC M23409 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.3 C#CC(=O)OC M40108 [2,0,0,0,0,0|0,0,2]=4 135 B5R0.3 CCC(=O)CN A32390 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.3 CCC(=O)CO H36713 [2,0,0,0,0,0|0,1,0]=3 137 B5R0.3 CCC(N)CC P40440 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.3 CNC(=O)CBr B60913 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.3 CNC(=O)CCl C67921 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.3 COC(=O)CN M69126 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.3 COC(=O)CO M67586 [2,0,0,0,0,0|0,1,0]=3 142 B5R0.3 O=C(CCl)CCl D4849 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.2 CC(C)NC(=O)CCl P40378 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.2 CC(C)OC(=O)CO I38145 [1,1,0,0,0,0|0,1,0]=3 145 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|1,0,0]=3 146 B7R0.2 CCC(=O)OC(C)=O A41227 [1,1,0,0,0,0|0,0,1]=3 147 B7R0.2 COC(=O)C=C(C)C M41461 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.2 COC(=O)CC(=O)Cl M40174 [1,1,0,0,0,0|2,0,0]=4 149 B7R0.2 COC(=O)CC(=O)O M37882 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.2 COC(=O)CC(=O)[O-] P67199 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.2 COC(=O)\C=C(\C)N M68908 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.3 C=CCOC(=O)CI P7846 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.3 CCCOC(=O)OC M40388 [1,1,0,0,0,0|0,1,0]=3 157 B7R0.3 CNCCC(=O)OC M40412 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.3 COC(=N)CCCCl M40379 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.3 COC(=O)C=CCBr M37461 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.3 COC(=O)CCCBr M39189 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.3 COC(=O)CCCCl M60517 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.3 COC(=O)CCCN M32376 [1,1,0,0,0,0|1,0,0]=3 163 B7R0.3 COC(=O)CN=[N+]=[N-] M3461 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.3 COC(=O)CNC=O M40228 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.3 COC(=O)\C=C\CBr M41176 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.3 COC=CC(=O)OC M39186 [1,1,0,0,0,0|0,1,1]=4 167 B7R0.3 CO\C=C\C(=O)OC M41228 [1,1,0,0,0,0|0,1,1]=4 168 B7R0.5 CC(C)C(=O)CC#N M43378 [1,1,0,0,0,0|2,0,0]=4 169 B7R0.5 CC(C)C(=O)OCCl C24559 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.5 CCOC(=O)C(=O)O E36772 [1,1,0,0,0,0|0,1,1]=4 171 B7R0.5 CCOC(=O)C(C)=O E60800 [1,1,0,0,0,0|0,0,1]=3 172 B7R0.5 CCOC(=O)C(N)=O E60589 [1,1,0,0,0,0|0,1,1]=4 173 B7R0.5 CCOC(=O)C(N)=S E15645 [1,1,0,0,0,0|0,0,2]=4 174 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [1,1,0,0,0,0|0,0,0]=2 175 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [1,1,0,0,0,0|0,0,0]=2 176 B7R0.5 CCOC(=O)[C@H](C)F E41270 [1,1,0,0,0,0|0,0,0]=2 177 B7R0.5 CCOC(=O)[C@H](C)S E40385 [1,1,0,0,0,0|0,0,0]=2 178 B7R0.10 CCC(=O)C(=O)CC H41459 [1,1,0,0,0,0|1,0,0]=3 179 B7R0.10 CCC(=O)N(C)OC M40411 [1,1,0,0,0,0|1,1,0]=4 180 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.10 CC[C@H](N)C(=O)OC M40408 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.10 CC[C@H](N)C(=O)OC M41330 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.10 CC[C@H](N)C(=O)OC M41334 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.10 COC(=O)[C@@H](C)CO M25480 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.10 COC(=O)[C@@H](F)CO M60918 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.10 COC(=O)[C@@H](N)CO M68693 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.10 COC(=O)[C@@H](N)CO S64541 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.10 COC(=O)[C@@H](O)CN M61501 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.10 COC(=O)[C@@H](O)CO M40259 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.10 COC(=O)[C@H](C)CO M40393 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.10 COC(=O)[C@H](N)CCl M69012 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.10 COC(=O)[C@H](N)CS M69349 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.10 COC(=O)[C@H](O)CO M40258 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.1 COCCOCCI K40420 [1,1,0,0,0,0|0,1,1]=4 200 B7R0.1 COCCOCCN M38824 [1,1,0,0,0,0|0,1,1]=4 201 B9R0.4 C=CCOC(=O)CC(C)=O A39287 [0,2,0,0,0,0|1,0,1]=4 202 B9R0.4 CC(=O)CC(=O)NCCO H41517 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.5 CCC=CCC(=O)OCC E47083 [0,2,0,0,0,0|1,0,0]=3 204 B9R0.5 CCCC=CC(=O)OCC E47082 [0,2,0,0,0,0|1,0,0]=3 205 B9R0.5 CCOC(=O)CCCCBr E39295 [0,2,0,0,0,0|1,0,0]=3 206 B9R0.5 CCOC(=O)CCCCN E46517 [0,2,0,0,0,0|1,0,0]=3 207 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [0,2,0,0,0,0|1,0,0]=3 208 B9R0.5 CCOC(=O)CCN=[N+]=[N-] E5007 [0,2,0,0,0,0|2,0,0]=4 209 B9R0.5 CCOC(=O)COCCCl E41531 [0,2,0,0,0,0|0,1,0]=3 210 B9R0.5 CCOC=CC(=O)OCC E43814 [0,2,0,0,0,0|0,1,1]=4 211 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,2,0,0,0,0|0,1,1]=4 212 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,2,0,0,0,0|1,1,0]=4 213 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,2,0,0,0,0|1,0,0]=3 215 B9R0.34 CCOC(=O)CC(=O)NN E40373 [0,2,0,0,0,0|2,0,0]=4 216 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [0,2,0,0,0,0|1,0,0]=3 217 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [0,2,0,0,0,0|1,0,0]=3 218 B9R0.34 CCOC(=O)NC(=O)CCl E62948 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,2,0,0,0,0|1,0,0]=3 220 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,2,0,0,0,0|1,0,0]=3 221 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,2,0,0,0,0|1,0,0]=3 222 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,2,0,0,0,0|0,1,1]=4 223 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,2,0,0,0,0|1,0,0]=3 224 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,2,0,0,0,0|1,0,0]=3 225 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,2,0,0,0,0|1,0,0]=3 226 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [0,2,0,0,0,0|1,0,1]=4 228 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [0,2,0,0,0,0|1,0,1]=4 229 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [0,2,0,0,0,0|1,0,0]=3 230 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [0,2,0,0,0,0|1,0,0]=3 231 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,2,0,0,0,0|1,0,0]=3 232 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [0,2,0,0,0,0|1,0,0]=3 233 B9R0.6 CCOC(=O)[C@H](C)[N+](=O)[O-] E62825 [0,2,0,0,0,0|2,0,0]=4 234 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [0,2,0,0,0,0|1,0,0]=3 235 B9R0.19 CCOC(=O)C(C)(C)CN E46520 [0,2,0,0,0,0|2,0,0]=4 236 B9R0.19 CCOC(=O)C(C)(C)CO E43892 [0,2,0,0,0,0|2,0,0]=4 237 B9R0.23 CC(C)OC(=O)[C@@H](N)CO S60921 [0,2,0,0,0,0|2,0,0]=4 238 B9R0.37 CCOC(=O)C(C=O)C=O E8184 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.37 CCOC(=O)C(CO)CO E64559 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.37 CCOC(=O)[C@@H](C#N)CC E43773 [0,2,0,0,0,0|1,0,0]=3 241 B9R0.44 C=CCC(=O)OC(C)(C)C B47084 [0,2,0,0,0,0|1,0,1]=4 242 B9R0.44 CC(C)(C)OC(=O)CC#N C37464 [0,2,0,0,0,0|2,0,0]=4 243 B9R0.44 CC(C)(C)OC(=O)CCBr B43863 [0,2,0,0,0,0|2,0,0]=4 244 B9R0.44 CC(C)(C)OC(=O)CCN B43925 [0,2,0,0,0,0|2,0,0]=4 245 B9R0.44 CC(C)(C)OC(=O)CCN B67888 [0,2,0,0,0,0|2,0,0]=4 246 B9R0.44 CCNC(=O)OC(C)(C)C B43922 [0,2,0,0,0,0|2,0,0]=4 247 B9R0.44 CCOC(=O)CC(C)(C)N E38783 [0,2,0,0,0,0|1,0,0]=3 248 B9R0.44 CCOC(=O)CC(C)(C)O E43891 [0,2,0,0,0,0|1,0,0]=3 249 B9R0.44 CCOC(=O)CC(F)(F)F E41180 [0,2,0,0,0,0|2,0,0]=4 250 B9R0.44 CCOC(=O)C[Si](C)(C)C E43949 [0,2,0,0,0,0|1,0,0]=3 251 B9R0.44 CNCC(=O)OC(C)(C)C B43929 [0,2,0,0,0,0|1,0,0]=3 252 B9R0.44 CNNC(=O)OC(C)(C)C M37037 [0,2,0,0,0,0|2,0,0]=4 253 B9R0.44 CONC(=O)OC(C)(C)C M38869 [0,2,0,0,0,0|1,1,0]=4 254 B9R0.53 CC(C)OC(=O)OC(C)C D38665 [0,2,0,0,0,0|2,0,0]=4 255 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl C39199 [0,2,0,0,0,0|2,0,0]=4 256 B9R0.53 CC(Cl)OC(=O)OC(C)Cl B41230 [0,2,0,0,0,0|2,0,0]=4 257 B7R1.1 COC1=NCCC1 M69559 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|1,0,1]=4 259 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,0]=3 260 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|1,1,0]=4 262 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|1,1,0]=4 264 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.2 O=C1OC[C@H](F)O1 F39135 [1,0,0,1,0,0|1,1,0]=4 269 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|1,0,0]=3 271 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|1,0,0]=3 272 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|0,1,0]=3 273 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|0,0,0]=2 274 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.3 O=C1CNCCN1 P10419 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.3 O=C1COCCN1 M7700 [1,0,0,1,0,0|1,1,0]=4 279 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|0,1,0]=3 280 B7R1.3 O=C1CSCCN1 T40230 [1,0,0,1,0,0|1,0,0]=3 281 B7R1.4 CN1CCNC1=O M40241 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|1,0,0]=3 284 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,0]=3 285 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|0,0,0]=2 286 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.4 N[C@H]1CCNC1=O A24294 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,1,0,0|1,0,0]=3 292 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,0,0,1,0,0|1,1,0]=4 293 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,0,0,1,0,0|1,1,0]=4 294 B7R1.4 O=C1NCC[C@H]1O H40227 [1,0,0,1,0,0|1,1,0]=4 295 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.22 CCC(=O)C1CC1 C24823 [1,0,0,1,0,0|1,0,0]=3 298 B7R1.24 C1CNCCOC1 X1345 [1,0,0,1,0,0|1,0,1]=4 299 B7R1.24 C1CNCCSC1 H6236 [1,0,0,1,0,0|1,0,1]=4 300 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,1,0,0|1,1,0]=4 304 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,1,0,1,0,0|1,1,0]=4 306 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.33 C#CCN1CCOC1=O P8469 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.33 NCCN1CCOC1=O A61391 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.33 [N-]=[N+]=N[C@H]1CCOC1=O A2727 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.50 O=C1CCCCCCC1 C67881 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.50 O=C1CCCCCCN1 A69570 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.73 CCOC(=N)C1CCC1 E64744 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.73 CCOC(=O)C1CNC1 E0677 [0,1,0,1,0,0|1,0,0]=3 320 B9R1.75 CCOC(=O)CC1CC1 E29877 [0,1,0,1,0,0|1,0,0]=3 321 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.74 CCOC(=O)C1(Br)CC1 E26278 [0,1,0,1,0,0|1,0,0]=3 328 B9R1.74 CCOC(=O)C1(C)CC1 E43807 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.74 CCOC(=O)C1(N)CC1 E67975 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.74 CCOC(=O)C1(O)CC1 E19212 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,1,0,1,0,0|1,0,0]=3 334 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,1,0,1,0,0|2,0,0]=4 336 B9R2.8 O=C1CC2CC(C1)C2 B60206 [0,0,0,2,0,0|2,0,0]=4 337 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,2,0,0|2,0,0]=4 338 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,2,0,0|2,0,0]=4 339 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,2,0,0|1,0,0]=3 340 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,2,0,0|1,0,0]=3 341 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,2,0,0|2,0,0]=4 342 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,2,0,0|1,1,0]=4