0 B6R0.1 C=C=CC(=O)OC F20885 [0,0,0,0,0,0|0,0,3]=3 1 B6R0.1 CCC[C@@H](Br)CC D78429 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 CCC[C@H](N)CO C13482 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCNC(=O)CO 79517 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CC[C@H](S)CCO D84734 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.1 CNC(=O)CCN C75423 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 CNC(=O)CCO AC6610 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CNC(=O)CCS A11187 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 COC(=O)C#CI E72701 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.1 COC(=O)OCCl R10013 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 COC(=O)\C=C\I C10406 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.1 NNC(=O)CCO C77491 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 C=C(C)CON F31248 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CCOC(N)=S A11227 [1,0,0,0,0,0|2,1,0]=4 16 B5R0.1 CN(C)CCO D93012 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CNCC(=O)[O-] F20742 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CNC[C@H](C)O AC1157 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CNC[C@H](C)O N12528 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 COC[C@H](C)Br 78860 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 COC[C@H](C)N 25526 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 COC[C@H](C)N D95458 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 COC[C@H](C)N W17998 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 C[S+](C)CCCl 77752 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 C\C(I)=C/CI AC8880 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C\C(I)=C\CI AC3855 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 N#CCC(=O)[O-] D70707 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 O=C(O)\C=C\Br AC1121 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 O=C(O)\C=C\I W15430 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.2 CCCCON 31644 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.2 CNOCCN D97505 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.2 COCCCO D77912 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.3 CCC(=O)CN S11993 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.3 CC[PH](=O)CC C77650 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.3 COC(=S)NN Y13479 [1,0,0,0,0,0|2,1,0]=4 37 B5R0.3 COC(=S)SC Y14680 [1,0,0,0,0,0|1,1,0]=3 38 B5R0.3 CO[C@@H](C)CN 91001 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.3 CO[C@@H](C)CO 91002 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.2 CC(C)NC(=O)CBr A12824 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.2 CC(C)NC(=O)CI A11046 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.2 CC(C)OC(=O)CN FD21588 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.2 CC(C)OC(=O)NN A11099 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.2 COC(=O)CC(=N)N AC2408 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,1,0,0,0,0|0,0,0]=1 46 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,1,0,0,0,0|0,0,0]=1 47 B7R0.2 COC(C)CC(C)O 78061 [0,1,0,0,0,0|1,0,1]=3 48 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.3 C#CCCC(=O)OC AT21755 [0,1,0,0,0,0|0,0,1]=2 50 B7R0.3 C=CC(=O)NCCC AB9941 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.3 C=CCCC(=O)OC AT23749 [0,1,0,0,0,0|0,0,1]=2 52 B7R0.3 CCC(=O)OCCO A11774 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.3 CNCCC(=O)OC AB11809 [0,1,0,0,0,0|0,0,0]=1 54 B7R0.3 COC(=O)C#CCO AB7534 [0,1,0,0,0,0|0,0,2]=3 55 B7R0.3 COC(=O)CCCI F19766 [0,1,0,0,0,0|0,0,0]=1 56 B7R0.3 COC(=O)\C=C\CCl AT12623 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.3 COC(=O)\C=C\CN AT20770 [0,1,0,0,0,0|0,0,2]=3 58 B7R0.5 CCCC(Br)C(C)Br D81745 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.5 CCOC(=O)C(=N)N W18562 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.7 C=C(CCBr)CCBr W15711 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.7 C=C=CC(=O)OCC T71774 [0,1,0,0,0,0|0,0,3]=4 64 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.7 CCNC(=O)CCCl Y14703 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.7 CCNC(=O)CNC A12930 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.7 CCOC(=O)C#CBr C15771 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.7 CCOP(C)OCC 28742 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.7 COCC(=O)COC 36699 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.7 COC[C@@H](N)CCO AT12992 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.10 C=C(CCl)C(=O)OC 36746 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,1,0,0,0,0|0,0,0]=1 76 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,1,0,0,0,0|0,0,0]=1 77 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,1,0,0,0,0|1,0,0]=2 84 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.11 CCOS(=O)(=O)CC A10945 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.11 CCS(=O)(=O)CCN AR2318 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.12 CCN(CCO)N=O T71710 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.1 BrCC1=CCCC1 37275 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.1 COC1=CCCC1 D93350 [0,0,0,1,0,0|1,0,0]=2 91 B7R1.1 CO[C@H]1CCNC1 26935 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.1 CO[C@H]1CCNC1 P10862 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.1 NOC1CCCC1 97655 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.1 O=CC1=CCCC1 26227 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,1,0,0|1,0,0]=2 97 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,0,0,1,0,0|1,0,0]=2 102 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,0,0,1,0,0|1,0,0]=2 104 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,0,0,1,0,0|1,0,0]=2 107 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.2 O=C1C=C(Br)CO1 W10959 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.2 O=C1C=C(O)CO1 F21287 [0,0,0,1,0,0|1,0,2]=4 110 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.2 O=C1COC(=O)N1 F20602 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,0,0,1,0,0|1,0,0]=2 114 B7R1.3 BrC1=CCCNC1 D97153 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.3 BrC1=CCOCC1 C90119 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.3 C=C1CCNCC1 88914 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.3 C=C1CCOCC1 84295 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.3 FC1=CCNCC1 P20375 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.3 NC1=NCCCN1 AC1271 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.3 O=C1C=CCCN1 88830 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.3 O=C1C=CCOC1 O10790 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,1,0,0|0,1,0]=2 129 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,1,0,0|1,0,0]=2 130 B7R1.3 O=C1CSCCN1 23643 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.4 BrC1=C(Br)CCC1 79351 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.4 CC1=CCOC1=O T72100 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.4 CN1CCN=C1N W16176 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.4 CN1CCNC1=O 81682 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,1,0,0|1,0,2]=4 139 B7R1.4 NN1CCOC1=O S10190 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.4 N[C@H]1CCNC1=O 51276 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.4 N[C@H]1CCNC1=O 51277 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.4 N[C@H]1CCNC1=O 51278 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.4 N[C@H]1CCNC1=O F14678 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.4 N[C@H]1CCSC1=O O10218 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.6 CNC[C@H]1CCO1 D96714 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.6 OCC[C@H]1CCO1 P17680 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.10 CNC1CC(C)C1 72947 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.10 COC1CC(N)C1 37221 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.10 COC1CC(O)C1 R10063 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.22 CNC(=O)C1CC1 F14269 [0,0,0,1,0,0|1,0,0]=2 157 B7R1.22 O=C(CO)C1CC1 E72699 [0,0,0,1,0,0|2,0,0]=3 158 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,1]=4 159 B4R0.1 C\C=C(\C)Br D93160 [2,0,0,0,0,0|1,0,1]=4 160 B4R0.1 NCC(=O)O A10882 [2,0,0,0,0,0|1,0,0]=3 161 B4R0.1 NCC(=O)O T72551 [2,0,0,0,0,0|1,0,0]=3 162 B4R0.1 O=C([O-])C[O-] 47204 [2,0,0,0,0,0|1,0,1]=4 163 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.2 COCCI A50601 [2,0,0,0,0,0|1,0,0]=3 166 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|1,1,0]=4 167 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,1,0,0,0,0|0,0,2]=4 170 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [1,1,0,0,0,0|0,0,2]=4 171 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [1,1,0,0,0,0|0,0,2]=4 172 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [1,1,0,0,0,0|0,0,2]=4 173 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [1,1,0,0,0,0|0,0,2]=4 174 B6R0.2 CC(Br)CC(C)Br T70499 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.2 CC(C)CC(N)=O C75541 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.2 CC(C)NC(N)=O 44261 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.2 C[C@H](N)CN(C)C 76720 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|0,0,0]=2 179 B6R0.2 C[C@H](O)CN(C)C A11394 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.2 NC(=O)CC(=O)O F20599 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.3 C=C(CBr)C(=O)O 74879 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.3 C=C[C@H](C)C(=O)O T72590 [1,1,0,0,0,0|0,0,2]=4 183 B6R0.3 C=C[C@H](N)C(=O)O 33352 [1,1,0,0,0,0|0,0,2]=4 184 B6R0.3 C=C[C@H](N)C(=O)O 39549 [1,1,0,0,0,0|0,0,2]=4 185 B6R0.3 CCN(C)C(C)=O F19909 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,1,0,0,0,0|0,0,0]=2 187 B6R0.3 CC[C@H](N)C(N)=O I10243 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [1,1,0,0,0,0|0,0,2]=4 189 B6R0.3 C[C@@H](CN)C(=O)O F15101 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.3 C[C@@H](CN)C(=O)O F15242 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.3 C[C@H](C#N)C(=O)O C75969 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.3 C[C@H](ON)C(=O)O AT14512 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.3 C[C@H](ON)C(=O)O Y13476 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.3 NC(=O)[C@@H](N)CO D75098 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.3 NC[C@H](F)C(=O)O T73016 [1,1,0,0,0,0|1,0,0]=3 197 B6R0.3 NC[C@H](O)C(=O)O O10173 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.4 C#CCNC(C)=O 78861 [1,1,0,0,0,0|0,0,2]=4 203 B6R0.4 C=C(C)CCCBr 71968 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.4 C=CCCC(=O)Cl F16765 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.4 CC(=O)CCC=O P17049 [1,1,0,0,0,0|0,0,1]=3 206 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|0,0,0]=2 207 B6R0.4 CC(=O)OCCN W11955 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|0,0,0]=2 209 B6R0.4 CCOC[C@H](C)N 75202 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.4 COC=CC(=O)O D97266 [1,1,0,0,0,0|0,0,2]=4 211 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.4 NC(=O)OCCO A11395 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.4 NCCCC(N)=O C72206 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.4 O=C(O)\C=C\CCl 11303 [1,1,0,0,0,0|0,0,2]=4 215 B6R0.4 O=C([O-])CNCO F20522 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.5 CCCP(=O)(O)O C15829 [1,1,0,0,0,0|1,0,0]=3 217 B6R0.5 CS(=O)(=O)CCBr AC1299 [1,1,0,0,0,0|2,0,0]=4 218 B6R0.5 O=P(O)(O)CCBr S12083 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.5 O=P(O)(O)CCO D97366 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.5 O=S(=O)(O)CCBr 28570 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.6 CC#CCCCO W16152 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.6 CCOCCCBr A11082 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.6 CCOCCON W15834 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.6 CC\C=C/CCI 98107 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.6 CNCCCCBr C74879 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.6 CNCCCCN D80538 [1,1,0,0,0,0|1,0,1]=4 227 B8R0.2 COC(=O)C(=O)C(C)C 30685 [0,2,0,0,0,0|0,0,1]=3 228 B8R0.2 COC(=O)[C@@H](C)C(=O)O C74590 [0,2,0,0,0,0|1,0,1]=4 229 B8R0.2 COC(=O)[C@@H](N)C(C)=O C75090 [0,2,0,0,0,0|0,0,1]=3 230 B8R0.2 COC(=O)[C@@H](O)C(C)C N12468 [0,2,0,0,0,0|0,0,0]=2 231 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,2,0,0,0,0|1,0,0]=3 232 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [0,2,0,0,0,0|1,0,1]=4 233 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [0,2,0,0,0,0|0,0,0]=2 234 B8R0.5 COCC(=O)OC(C)C C11794 [0,2,0,0,0,0|1,0,0]=3 235 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,2,0,0,0,0|0,0,0]=2 236 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,2,0,0,0,0|0,0,0]=2 237 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,2,0,0,0,0|0,0,0]=2 238 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [0,2,0,0,0,0|1,0,0]=3 239 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.23 CC(C)OC(=O)N(C)C A11034 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.23 CN(C)CC(=O)N(C)O T72789 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.24 CNC(=O)CS(C)(=O)=O 31518 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.24 COC(=O)CC(C)(C)Br A11663 [0,2,0,0,0,0|0,0,0]=2 245 B8R0.24 COC(=O)CC(C)(C)O C75882 [0,2,0,0,0,0|0,0,0]=2 246 B8R0.24 COC(=O)CC(F)(F)F T71999 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.24 COC(=O)CS(N)(=O)=O W19134 [0,2,0,0,0,0|2,0,0]=4 248 B8R0.24 COC(=O)NC(C)(C)C A12376 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.1 C#CCCC(=O)CCO N11427 [0,2,0,0,0,0|1,0,1]=4 250 B8R0.1 C#CCNC(=O)COC AR3233 [0,2,0,0,0,0|0,0,2]=4 251 B8R0.1 CCCC(=O)OCCO D81566 [0,2,0,0,0,0|0,0,0]=2 252 B8R0.1 CCNC(=O)NCCN AR2426 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.1 CCOC(=O)CCC#N 82565 [0,2,0,0,0,0|0,0,1]=3 254 B8R0.1 CCOC(=O)CCC=O AB9300 [0,2,0,0,0,0|0,0,1]=3 255 B8R0.1 CCOC(=O)CCCO C91677 [0,2,0,0,0,0|0,0,0]=2 256 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [0,2,0,0,0,0|0,0,1]=3 257 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [0,2,0,0,0,0|0,0,1]=3 258 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,2,0,0,0,0|0,0,0]=2 259 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,2,0,0,0,0|0,0,0]=2 260 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,2,0,0,0,0|0,0,0]=2 261 B8R0.3 COC(=O)[C@H](C)N=C=O T72257 [0,2,0,0,0,0|1,0,1]=4 262 B8R0.3 COCC(=O)N(C)OC W16959 [0,2,0,0,0,0|1,0,0]=3 263 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,2,0,0,0,0|0,0,0]=2 264 B8R0.3 CON(C)C(=O)CCBr W10377 [0,2,0,0,0,0|1,0,0]=3 265 B8R0.6 CCCCCC(=O)CBr C73149 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.6 COC(=O)COCCO D84694 [0,2,0,0,0,0|0,0,0]=2 267 B8R0.6 COC\C=C\C(=O)OC P17071 [0,2,0,0,0,0|0,0,1]=3 268 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.8 CN(C)C(=O)CCCCl S12226 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.9 CN(C)CCC(=O)NN AC8035 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,2,0,0,0,0|1,0,1]=4 272 B8R0.13 C#CC(C)(C)C(=O)OC AB9700 [0,2,0,0,0,0|0,0,2]=4 273 B8R0.13 COC(=O)C(C)(C)C=O C72545 [0,2,0,0,0,0|1,0,1]=4 274 B8R0.13 COC(=O)[C@@](C)(N)CO D77168 [0,2,0,0,0,0|1,0,0]=3 275 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [0,2,0,0,0,0|0,0,0]=2 276 B8R0.20 CC[C@H](C#N)C(=O)OC Y14710 [0,2,0,0,0,0|0,0,0]=2 277 B8R0.20 COC(=O)C(CN)CN N13257 [0,2,0,0,0,0|1,0,0]=3 278 B8R0.31 COP(=O)(CCO)OC C15969 [0,2,0,0,0,0|2,0,0]=4 279 B6R1.2 C=C1CCNC1 F13598 [1,0,0,1,0,0|2,0,0]=4 280 B6R1.2 NC1=NCCO1 53947 [1,0,0,1,0,0|2,0,0]=4 281 B6R1.2 NN1CCCC1 F13227 [1,0,0,1,0,0|2,0,0]=4 282 B6R1.2 NN1CCCC1 S12058 [1,0,0,1,0,0|2,0,0]=4 283 B6R1.2 O=C1CNCN1 25530 [1,0,0,1,0,0|2,0,0]=4 284 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|0,0,0]=2 285 B6R1.5 CC1CC(N)C1 72358 [1,0,0,1,0,0|1,0,1]=4 286 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,1,0,0|1,0,0]=3 287 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|0,0,0]=2 288 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [1,0,0,1,0,0|1,0,1]=4 289 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [1,0,0,1,0,0|1,0,1]=4 290 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|1,0,0]=3 291 B6R1.10 CC1(N)CCC1 P10590 [1,0,0,1,0,0|1,0,1]=4 292 B6R1.10 CC1(N)CCC1 P10892 [1,0,0,1,0,0|1,0,1]=4 293 B6R1.10 CC1(O)CCC1 83777 [1,0,0,1,0,0|0,0,2]=4 294 B6R1.11 C[C@H](N)C1CC1 N10509 [1,0,0,1,0,0|1,0,1]=4 295 B6R1.11 C[C@H](N)C1CC1 W12229 [1,0,0,1,0,0|1,0,1]=4 296 B6R1.11 C[C@H](O)C1CC1 C77522 [1,0,0,1,0,0|0,0,2]=4 297 B6R1.11 C[C@H](O)C1CC1 C77523 [1,0,0,1,0,0|0,0,2]=4 298 B6R1.11 O=C([O-])[C@@H]1CO1 50549 [1,0,0,1,0,0|1,0,1]=4 299 B6R1.11 O=C([O-])[C@@H]1CO1 50593 [1,0,0,1,0,0|1,0,1]=4 300 B6R1.11 O=[S@]([O-])C1CC1 29996 [1,0,0,1,0,0|1,0,1]=4 301 B6R1.1 C1CCNNC1 71659 [1,0,0,1,0,0|2,0,0]=4 302 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|1,0,1]=4 303 B8R1.1 C#C[C@@H]1COC(=O)N1 66220 [0,1,0,1,0,0|0,0,2]=4 304 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [0,1,0,1,0,0|0,0,1]=3 305 B8R1.1 COC1=CC(=O)CC1 63697 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.1 COC1CCC(N)C1 33463 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.1 COC1CCC(O)C1 P19125 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.1 N#C[C@@H]1CNC(=O)C1 P17251 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,1,0,1,0,0|1,0,0]=3 315 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|1,0,0]=3 325 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,1,0,0|1,0,0]=3 327 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,1,0,1,0,0|0,0,1]=3 333 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,1,0,1,0,0|0,0,2]=4 334 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,1,0,0|1,0,1]=4 336 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,1,0,0|1,0,0]=3 343 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|1,0,0]=3 347 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,1,0,0|1,0,0]=3 351 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,1,0,1,0,0|1,0,0]=3 353 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.40 COC(=O)CC1CC1 28012 [0,1,0,1,0,0|0,0,0]=2 357 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,1,0,1,0,0|1,0,1]=4 358 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.51 CC1(C)CN=C(N)C1 D79278 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.51 CC1(C)COC(=O)C1 82056 [0,1,0,1,0,0|0,0,0]=2 364 B8R1.51 CC1(C)COC(=O)N1 38028 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.51 CC1(C)COC(=S)N1 24281 [0,1,0,1,0,0|1,1,0]=4 366 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.51 C[C@H]1COS(=O)(=O)O1 Y11245 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.2 BrCC1=CCCCC1 37274 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.2 COC1=NCCCC1 D87703 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,1,0,0|1,0,1]=4 371 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.2 O=CN1CCCCC1 D77795 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,1,0,1,0,0|1,0,1]=4 374 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,1,0,1,0,0|0,0,1]=3 375 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,1,0,0|1,0,1]=4 376 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,1,0,1,0,0|1,0,0]=3 380 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,1,0,1,0,0|1,0,0]=3 381 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,1,0,1,0,0|1,0,0]=3 382 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,1,0,1,0,0|1,0,1]=4 384 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,1,0,1,0,0|0,0,1]=3 388 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,1,0,0|0,0,0]=2 392 B8R1.3 O=C1NCC(O)CN1 D82915 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|0,0,0]=2 397 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.5 NN1CCCCC1=O C74639 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|0,0,0]=2 407 B8R1.22 C[C@H]1CNCCCO1 72856 [0,1,0,1,0,0|1,0,1]=4 408 B8R1.22 NC1=NCCCCC1 D85903 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.22 O=C1CCCCCN1 D94502 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.22 O=C1CCCCNC1 50109 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.22 O=C1CCCOCC1 P12770 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.22 O=C1CCNCCN1 58405 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.22 O=C1CNCCNC1 77718 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.22 O=C1CNCCOC1 P20266 [0,1,0,1,0,0|1,0,0]=3 415 B8R1.22 O=C1COCCCN1 71169 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.22 O=C1OCCCCO1 D93115 [0,1,0,1,0,0|0,0,0]=2 417 B8R1.38 CCC(=O)C1COC1 D79147 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.38 CNC(=O)C1CNC1 P20515 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.38 COC(=O)C1COC1 81275 [0,1,0,1,0,0|0,0,0]=2 420 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,1,0,1,0,0|0,0,0]=2 421 B8R1.38 CO[C@@H](C)C1CNC1 F20233 [0,1,0,1,0,0|1,0,1]=4 422 B8R1.38 O=C(CBr)N1CCC1 P20407 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.47 COC1CC(CN)C1 P19107 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.47 COC1CC(CO)C1 P20964 [0,1,0,1,0,0|1,0,1]=4 425 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P17262 [0,1,0,1,0,0|1,0,1]=4 426 B8R1.47 CO[C@H]1C[C@H](CN)C1 P17705 [0,1,0,1,0,0|1,0,1]=4 427 B8R1.50 CN1C(=O)CCC1=O D70368 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.50 CN1CCN(C)C1=O D77693 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.50 CN1CC[C@H](Br)C1=O C77641 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.50 CN1CC[C@H](N)C1=O 51274 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.19 CC1(C)CCNC1=O 79628 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.19 CC1(C)OCCC1=O P18857 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.37 CCCC(=O)C1CC1 P18081 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.37 COC[C@H](N)C1CC1 D87133 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.54 C[C@H](Br)C(=O)C1CC1 P15980 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.8 COC[C@H]1CCCN1 11152 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.8 COC[C@H]1CCCN1 11153 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.8 COC[C@H]1CCCN1 71289 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.11 N#C[C@H]1COCC1=O P13840 [0,1,0,1,0,0|1,0,1]=4 441 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.11 O=C1CCC=C1CO E70389 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.66 COCC1(N)CCC1 C77610 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.39 O=C(CCl)C1(Cl)CC1 D88098 [0,1,0,1,0,0|2,0,0]=4 447 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,2,0,0|1,0,0]=3 448 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|1,0,0]=3 449 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|2,0,0]=4 450 B8R2.19 O=C1CCC12CC2 P10135 [0,0,0,2,0,0|1,0,0]=3