0 B7R0.10 C=C(CCl)C(=O)OC 36746 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 C=C=CC(=O)OC F20885 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 CCC[C@@H](Br)CC D78429 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.1 CCNC(=O)CO 79517 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CNC(=O)CCN C75423 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CNC(=O)CCO AC6610 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CNC(=O)CCS A11187 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 COC(=O)OCCl R10013 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 COC(=O)\C=C\I C10406 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.3 C=C(CBr)C(=O)O 74879 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.3 CC(C)C(=O)CCl D94573 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.3 CCN(C)C(C)=O F19909 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 CC[C@H](N)C(N)=O I10243 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.3 CN(C)C(=O)CN FD21613 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.3 CNC(=O)[C@H](C)N C78177 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 CNC(=O)[C@H](C)N C78349 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.3 CNC(=O)[C@H](C)N FD21069 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.3 COC(=O)N(C)C D93880 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.2 COC(=O)C(=O)C(C)C 30685 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.2 COC(=O)[C@@H](O)C(C)C N12468 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,1,0,0,0,0|0,0,2]=3 33 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.3 COCC(=O)N(C)OC W16959 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.3 CON(C)C(=O)CCBr W10377 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.20 CCN(CC)C(=O)CN D95088 [0,1,0,0,0,0|3,0,0]=4 38 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.20 CC[C@H](C#N)C(=O)OC Y14710 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,0,0,1,0,0|1,0,1]=3 42 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.5 C[C@H]1COCCC1=O 27832 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.5 NN1CCCCC1=O C74639 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.11 O=C1CCC=C1CO E70389 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.38 CCC(=O)C1COC1 D79147 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.38 O=C(CBr)N1CCC1 P20407 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.39 O=C(CCl)C1(Cl)CC1 D88098 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.50 CN1CCN(C)C1=O D77693 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.50 CN1CC[C@H](Br)C1=O C77641 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.50 CN1CC[C@H](N)C1=O 51274 [0,0,0,1,0,0|2,0,1]=4 63 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,0,0,0,0,1|2,0,1]=4 64 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,0,0,0,0,1|1,0,2]=4 65 B5R0.1 C\C(I)=C/CI AC8880 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.1 C\C(I)=C\CI AC3855 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.2 NC\C=C\CN E70437 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.3 CCC(=O)CN S11993 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.3 CC[PH](=O)CC C77650 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.5 CC(=O)C(N)=S 93979 [2,0,0,0,0,0|1,1,0]=4 71 B5R0.5 CC(=O)[C@H](C)N D76571 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.5 O=C([O-])C(=O)[O-] AC1285 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.2 CC(C)NC(=O)CBr A12824 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.2 CC(C)NC(=O)CI A11046 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.2 CC(C)OC(=O)CN FD21588 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.2 COC(=O)C[C@H](C)N FD10418 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.2 COC(=O)C[C@H](C)N S11691 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.3 CCC(=O)OCCO A11774 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.3 CNCCC(=O)OC AB11809 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.3 COC(=O)CCCI F19766 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.3 COC(=O)\C=C\CCl AT12623 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.3 COC(=O)\C=C\CN AT20770 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.5 CCOC(=O)[C@H](C)O D75729 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.5 CCSC(=O)[C@H](C)N C14826 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.7 C=C=CC(=O)OCC T71774 [1,1,0,0,0,0|0,0,2]=4 86 B7R0.7 CCNC(=O)CCCl Y14703 [1,1,0,0,0,0|1,0,0]=3 87 B7R0.7 CCNC(=O)CNC A12930 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.7 COCC(=O)COC 36699 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.11 CCOS(=O)(=O)CC A10945 [1,1,0,0,0,0|2,0,0]=4 90 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [0,1,0,0,0,1|1,0,1]=4 91 B9R0.34 CCOC(=O)NC(=O)CCl D75421 [0,1,0,0,0,1|1,0,0]=3 92 B9R0.6 CCOC(=O)C(=O)C(C)=O C15077 [0,2,0,0,0,0|0,0,1]=3 93 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br C10122 [0,2,0,0,0,0|0,0,0]=2 94 B9R0.41 CCN(CC)C(=O)[C@H](C)N W10028 [0,2,0,0,0,0|2,0,0]=4 95 B9R0.23 C=C(CC(C)C)C(=O)OC W19515 [0,2,0,0,0,0|2,0,0]=4 96 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [0,2,0,0,0,0|1,0,0]=3 97 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,2,0,0,0,0|2,0,0]=4 98 B9R0.35 CCNC(=O)C(=O)OCC W18547 [0,2,0,0,0,0|0,0,0]=2 99 B9R0.35 CCOC(=O)C(=O)CC#N C75508 [0,2,0,0,0,0|0,0,1]=3 100 B9R0.37 CC=C(C#N)C(=O)OCC D94304 [0,2,0,0,0,0|1,0,1]=4 101 B9R0.37 CCNC(=O)N(CC)CC A10889 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.37 CCOC(=O)\C(CCl)=N/O W19300 [0,2,0,0,0,0|1,0,1]=4 103 B7R1.1 BrCC1=CCCC1 37275 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.1 COC1=CCCC1 D93350 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.2 CC1=CC(=O)CO1 Y10351 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|1,0,1]=4 108 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.2 NC1=CC(=O)CC1 90005 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.2 O=C1C=C(Br)CC1 W19329 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.2 O=C1C=C(I)CC1 A12694 [1,0,0,1,0,0|1,0,1]=4 117 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|1,0,1]=4 118 B7R1.3 BrC1=CCCNC1 D97153 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.3 BrC1=CCOCC1 C90119 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 CC1=CCNCC1 A11257 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.3 FC1=CCNCC1 P20375 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.3 O=C1C=CCCN1 88830 [1,0,0,1,0,0|1,0,1]=4 123 B7R1.3 O=C1C=CCOC1 O10790 [1,0,0,1,0,0|1,0,1]=4 124 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.3 O=C1CSCCN1 23643 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.4 CN1CCNC1=O 81682 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.4 N[C@H]1CCNC1=O 51276 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.4 N[C@H]1CCNC1=O 51277 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.4 N[C@H]1CCNC1=O 51278 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.4 N[C@H]1CCNC1=O F14678 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.4 N[C@H]1CCSC1=O O10218 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.4 O=C1NCC[C@@H]1Br 78555 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.4 O=C1OCC[C@@H]1O F14291 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.4 O[C@H]1CCC=C1Br D79898 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.8 CO[C@H]1CCC1=O P17941 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.8 O=C1CC[C@@H]1CO P13853 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.22 CNC(=O)C1CC1 F14269 [1,0,0,1,0,0|1,0,1]=4 139 B7R1.22 O=C(CO)C1CC1 E72699 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.19 CC(=O)C1(Cl)CC1 D86180 [1,0,0,1,0,0|1,0,1]=4 142 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,0,0,1,0,1|1,0,0]=3 143 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,0,0,1,0,1|0,0,2]=4 144 B9R1.2 CSC1=NC(=O)CCN1 AC1460 [0,0,0,1,0,1|2,0,0]=4 145 B9R1.37 C[C@H]1C(=O)CC(=O)N1C 79650 [0,0,0,1,0,1|1,0,0]=3 146 B9R1.37 C[C@H]1C(=O)OC(=O)N1C P14136 [0,0,0,1,0,1|1,0,0]=3 147 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,0,1,0,1|1,0,1]=4 148 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,0,0,1,0,1|1,0,0]=3 149 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,0,0,1,0,1|1,0,1]=4 150 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,0,0,1,0,1|1,0,0]=3 151 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,0,0,1,0,1|0,0,0]=2 152 B9R1.69 N[C@H]1CCC(=O)NC1=O AT11186 [0,0,0,1,0,1|1,0,0]=3 153 B9R1.3 CN1CCC[C@H](Br)C1=O AC1744 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.3 CN1CCC[C@H](N)C1=O 20395 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.3 CN1CCC[C@H](N)C1=O 38730 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.3 O=C1CCCC(O)=C1Cl AC1563 [0,1,0,1,0,0|1,0,1]=4 157 B9R1.132 CCN1OC[C@H](N)C1=O W15638 [0,1,0,1,0,0|1,0,1]=4 158 B9R1.132 CN1C(=O)CC[C@@H]1CO 94188 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.132 CN1C(=O)CC[C@@H]1CO 94193 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.132 CN1C(=O)CC[C@@H]1CO S11484 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.132 CN1CC[C@H](CO)C1=O N12775 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.132 COC1=C(Br)C(=O)CC1 P19034 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.5 CN1CCCNCC1=O 37932 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.5 CN1CCCNCC1=O Y10016 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.5 CN1CCNCCC1=O Y10618 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,1,0,1,0,0|1,0,1]=4 168 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,1,0,1,0,0|1,0,1]=4 169 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.11 COC(=O)C1=CCSC1 T71209 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.15 CCN1CCNCC1=O W18927 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,1,0,1,0,0|1,0,1]=4 173 B9R1.15 O=CC1=C(Br)CCCC1 AC9040 [0,1,0,1,0,0|1,0,0]=3 174 B9R1.15 O=CC1=C(Cl)CCCC1 31222 [0,1,0,1,0,0|1,0,0]=3 175 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,1,0,1,0,0|1,0,1]=4 176 B9R1.33 O=C1CCCN1CCBr C77640 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.73 O=C(CCCl)N1CCC1 72124 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.190 COC(=O)C1(C=O)CC1 93153 [0,1,0,1,0,0|1,0,1]=4 179 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,2,0,0|1,0,1]=4 180 B9R2.5 O=C1CCCC12CC2 F51719 [0,0,0,2,0,0|1,0,1]=4 181 B9R0.24 CCC(=O)CCC(=O)CC Y14693 [0,0,0,0,0,2|0,0,0]=2 182 B9R0.24 COC(=O)CCC(=O)CBr D72688 [0,0,0,0,0,2|2,0,0]=4