0 B6R0.1 C=C=CC(=O)OC F20885 [0,0,0,0,0,0|2,0,2]=4 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|3,0,0]=3 6 B6R0.1 CNC(=O)CCO AC6610 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CNC(=O)CCS A11187 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 COC(=O)C#CI E72701 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 COC(=O)OCCl R10013 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.1 COC(=O)\C=C\I C10406 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 COC[C@@H](O)CN 94767 [0,0,0,0,0,0|1,1,2]=4 12 B6R0.1 NNC(=O)CCO C77491 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 C=C(C)CON F31248 [1,0,0,0,0,0|2,1,0]=4 14 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CNCC(=O)[O-] F20742 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CNC[C@H](C)O AC1157 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 CNC[C@H](C)O N12528 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 COC[C@H](C)Br 78860 [1,0,0,0,0,0|1,1,1]=4 20 B5R0.1 COC[C@H](C)N 25526 [1,0,0,0,0,0|1,1,1]=4 21 B5R0.1 COC[C@H](C)N D95458 [1,0,0,0,0,0|1,1,1]=4 22 B5R0.1 COC[C@H](C)N W17998 [1,0,0,0,0,0|1,1,1]=4 23 B5R0.1 N#CCC(=O)[O-] D70707 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.2 C#CCOCC C90311 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 CCCCON 31644 [1,0,0,0,0,0|1,1,1]=4 26 B5R0.2 COCCCO D77912 [1,0,0,0,0,0|1,1,1]=4 27 B5R0.3 CCC(=O)CN S11993 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.3 CC[C@H](C)CN 88665 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.3 CC[PH](=O)CC C77650 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.3 COC(=S)SC Y14680 [1,0,0,0,0,0|1,1,0]=3 31 B7R0.2 CC(C)NC(=O)CBr A12824 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.2 CC(C)NC(=O)CI A11046 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.2 CC(C)OC(=O)CN FD21588 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.2 COC(=O)CC(=N)N AC2408 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.3 C#CCCC(=O)OC AT21755 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.3 C=C(CCl)OCOC P10081 [0,1,0,0,0,0|2,1,0]=4 40 B7R0.3 C=CC(=O)NCCC AB9941 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.3 C=CCCC(=O)OC AT23749 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.3 CCC(=O)OCCO A11774 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.3 CNCCC(=O)OC AB11809 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.3 COC(=O)C#CCO AB7534 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.3 COC(=O)CCCI F19766 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.3 COC(=O)\C=C\CCl AT12623 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.3 COC(=O)\C=C\CN AT20770 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.5 CCCC(Br)C(C)Br D81745 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.7 C=C(CCBr)CCBr W15711 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.7 C=C=CC(=O)OCC T71774 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.7 CCNC(=O)CCCl Y14703 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.7 CCNC(=O)CNC A12930 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.7 CCOC(=O)C#CBr C15771 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.7 COCC(=O)COC 36699 [0,1,0,0,0,0|0,1,0]=2 61 B7R0.7 COC[C@@H](N)CCO AT12992 [0,1,0,0,0,0|1,1,1]=4 62 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.11 CCOS(=O)(=O)CC A10945 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.11 CCS(=O)(=O)CCN AR2318 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.12 CCN(CCO)N=O T71710 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.1 BrCC1=CCCC1 37275 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.1 COC1=CCCC1 D93350 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.2 C=C1CCC(=O)O1 T71516 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.2 CN1CC[C@H](N)C1 51282 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.2 CN1CC[C@H](N)C1 51289 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.2 NC1=CC(=O)CC1 90005 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.2 O=C1C=C(I)CC1 A12694 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.3 BrC1=CCCNC1 D97153 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.3 C=C1CCNCC1 88914 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.3 C=C1CCOCC1 84295 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,0,1,0,0|1,1,1]=4 111 B7R1.3 O=C1C=CCCN1 88830 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.3 O=C1C=CCOC1 O10790 [0,0,0,1,0,0|0,1,2]=4 113 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.3 O=C1CSCCN1 23643 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,0,1,0,0|0,1,2]=4 117 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,0,1,0,0|0,1,2]=4 118 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,0,1,0,0|1,1,1]=4 119 B7R1.4 CC1CNCC1C P18713 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.4 CN1CCNC1=O 81682 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,0,0,1,0,0|1,0,2]=4 128 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,0,0,1,0,0|1,1,1]=4 129 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,0,0,1,0,0|0,1,2]=4 130 B7R1.4 N[C@H]1CCNC1=O 51276 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.4 N[C@H]1CCNC1=O 51277 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.4 N[C@H]1CCNC1=O 51278 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.4 N[C@H]1CCNC1=O F14678 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.4 N[C@H]1CCSC1=O O10218 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.4 N[C@H]1CONC1=O FD3007 [0,0,0,1,0,0|2,1,0]=4 136 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.6 CNC[C@H]1CCO1 D96714 [0,0,0,1,0,0|1,0,2]=4 139 B7R1.6 COC[C@H]1CCN1 38829 [0,0,0,1,0,0|1,1,1]=4 140 B7R1.6 COC[C@H]1CCN1 P15803 [0,0,0,1,0,0|1,1,1]=4 141 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,1,0,0|0,1,0]=2 142 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.22 CNC(=O)C1CC1 F14269 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.22 O=C(CO)C1CC1 E72699 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.25 CCC1(C)CNC1 D79218 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.25 CCC1(F)CNC1 D79682 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.25 CCC1(N)COC1 32880 [0,0,0,1,0,0|1,1,1]=4 148 B7R1.25 CCC1(O)COC1 69107 [0,0,0,1,0,0|0,1,2]=4 149 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,1]=4 150 B4R0.1 C\C=C(\C)Br D93160 [2,0,0,0,0,0|1,0,1]=4 151 B4R0.1 NCC(=O)O A10882 [2,0,0,0,0,0|1,1,0]=4 152 B4R0.1 NCC(=O)O T72551 [2,0,0,0,0,0|1,1,0]=4 153 B4R0.1 O=C([O-])C[O-] 47204 [2,0,0,0,0,0|1,1,0]=4 154 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.2 COCCI A50601 [2,0,0,0,0,0|1,1,0]=4 157 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|1,0,0]=3 158 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|1,0,1]=4 159 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|1,0,1]=4 160 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|1,0,1]=4 161 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.2 CC(C)CC(N)=O C75541 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.3 CCN(C)C(C)=O F19909 [1,1,0,0,0,0|2,0,0]=4 169 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.3 CC[C@H](N)C(N)=O I10243 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.4 C#CCNC(C)=O 78861 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.4 C=C(C)CCCBr 71968 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.4 CC(=O)CCC=O P17049 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.4 CC(=O)OCCN W11955 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|1,1,0]=4 177 B6R0.4 NCCCC(N)=O C72206 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.4 O=C([O-])CNCO F20522 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.6 CCOCCCBr A11082 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.6 CC\C=C/CCI 98107 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.6 CNCCCCBr C74879 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.6 CNCCCCN D80538 [1,1,0,0,0,0|1,0,1]=4 183 B6R0.8 CCS(=O)(=O)CCl 72654 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.9 CCC(C#N)CC AC1599 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.9 CCN(C#N)CC A12695 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.9 C\N=C(/NC)SC 66736 [1,1,0,0,0,0|2,0,0]=4 187 B8R0.2 COC(=O)C(=O)C(C)C 30685 [0,2,0,0,0,0|0,1,1]=4 188 B8R0.2 COC(=O)[C@@H](N)C(C)=O C75090 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.2 COC(=O)[C@@H](O)C(C)C N12468 [0,2,0,0,0,0|2,0,0]=4 190 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,2,0,0,0,0|1,0,0]=3 191 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [0,2,0,0,0,0|2,0,0]=4 192 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [0,2,0,0,0,0|1,0,0]=3 193 B8R0.5 COCC(=O)OC(C)C C11794 [0,2,0,0,0,0|0,1,0]=3 194 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,2,0,0,0,0|2,0,0]=4 195 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,2,0,0,0,0|2,0,0]=4 196 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,2,0,0,0,0|2,0,0]=4 197 B8R0.23 CN(C)CC(=O)N(C)O T72789 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.24 CNC(=O)CS(C)(=O)=O 31518 [0,2,0,0,0,0|1,0,1]=4 199 B8R0.24 COC(=O)CC(C)(C)Br A11663 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.24 COC(=O)CC(C)(C)O C75882 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.1 C#CCCC(=O)CCO N11427 [0,2,0,0,0,0|1,0,1]=4 202 B8R0.1 C#CCNC(=O)COC AR3233 [0,2,0,0,0,0|0,1,1]=4 203 B8R0.1 CCCC(=O)OCCO D81566 [0,2,0,0,0,0|1,0,0]=3 204 B8R0.1 CCNC(=O)NCCN AR2426 [0,2,0,0,0,0|2,0,0]=4 205 B8R0.1 CCOC(=O)CCC#N 82565 [0,2,0,0,0,0|1,0,1]=4 206 B8R0.1 CCOC(=O)CCC=O AB9300 [0,2,0,0,0,0|1,0,1]=4 207 B8R0.1 CCOC(=O)CCCO C91677 [0,2,0,0,0,0|1,0,0]=3 208 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,2,0,0,0,0|0,1,1]=4 209 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,2,0,0,0,0|1,0,0]=3 210 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,2,0,0,0,0|2,0,0]=4 211 B8R0.3 COCC(=O)N(C)OC W16959 [0,2,0,0,0,0|1,1,0]=4 212 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,2,0,0,0,0|1,1,0]=4 213 B8R0.3 CON(C)C(=O)CCBr W10377 [0,2,0,0,0,0|1,1,0]=4 214 B8R0.6 CCCCCC(=O)CBr C73149 [0,2,0,0,0,0|2,0,0]=4 215 B8R0.6 COC(=O)COCCO D84694 [0,2,0,0,0,0|1,1,0]=4 216 B8R0.6 COC\C=C\C(=O)OC P17071 [0,2,0,0,0,0|1,1,0]=4 217 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,2,0,0,0,0|1,0,0]=3 218 B8R0.8 CN(C)C(=O)CCCCl S12226 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,2,0,0,0,0|1,0,1]=4 220 B8R0.13 CCC(=O)C(C)(C)C=O 31867 [0,2,0,0,0,0|2,0,0]=4 221 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [0,2,0,0,0,0|2,0,0]=4 222 B8R0.20 CC[C@H](C#N)C(=O)OC Y14710 [0,2,0,0,0,0|2,0,0]=4 223 B6R1.2 C=C1CCNC1 F13598 [1,0,0,1,0,0|2,0,0]=4 224 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|1,0,1]=4 225 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,1,0,0|1,0,1]=4 226 B6R1.2 O=C1CNCN1 25530 [1,0,0,1,0,0|2,0,0]=4 227 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|0,0,2]=4 228 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|1,0,0]=3 229 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,1,0,0|1,0,0]=3 230 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|2,0,0]=4 231 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|2,0,0]=4 232 B6R1.10 CC1(N)CSC1 P16047 [1,0,0,1,0,0|1,0,1]=4 233 B6R1.10 CC1(O)CSC1 P15377 [1,0,0,1,0,0|0,0,2]=4 234 B6R1.11 O=C([O-])[C@@H]1CO1 50549 [1,0,0,1,0,0|1,1,0]=4 235 B6R1.11 O=C([O-])[C@@H]1CO1 50593 [1,0,0,1,0,0|1,1,0]=4 236 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|1,0,1]=4 237 B6R1.6 CSC1CNC1 37205 [1,0,0,1,0,0|1,0,1]=4 238 B8R1.1 C=C[C@@H]1CCC(=O)N1 N10616 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.1 COC1=CC(=O)CC1 63697 [0,1,0,1,0,0|0,1,1]=4 240 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|1,0,0]=3 260 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,1,0,0|1,0,0]=3 261 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,1,0,1,0,0|1,0,0]=3 263 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,1,0,1,0,0|1,0,0]=3 264 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,1,0,1,0,0|1,0,0]=3 265 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|1,0,0]=3 266 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.4 O=C1CNCC(=O)C1 91786 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.40 COC(=O)CC1CC1 28012 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.51 CC1(C)COC(=O)C1 82056 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.2 O=CN1CCCCC1 D77795 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,1,0,1,0,0|0,1,1]=4 281 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,1,0,1,0,0|1,0,0]=3 284 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,1,0,1,0,0|1,1,0]=4 288 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,1,0,1,0,0|0,1,1]=4 292 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,1,0,0|1,1,0]=4 298 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,1,0,0|0,1,0]=3 301 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|0,0,0]=2 302 B8R1.5 NN1CCCCC1=O C74639 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,1,0,1,0,0|1,1,0]=4 307 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.22 NC1=NCCCCC1 D85903 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.22 O=C1CCCCCN1 D94502 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.22 O=C1CCCCNC1 50109 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.22 O=C1CCCOCC1 P12770 [0,1,0,1,0,0|0,1,0]=3 314 B8R1.22 O=C1CCNCCN1 58405 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.22 O=C1CNCCNC1 77718 [0,1,0,1,0,0|1,0,0]=3 316 B8R1.22 O=C1CNCCOC1 P20266 [0,1,0,1,0,0|0,1,0]=3 317 B8R1.22 O=C1COCCCN1 71169 [0,1,0,1,0,0|0,1,0]=3 318 B8R1.22 O=C1OCCCCO1 D93115 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.38 CCC(=O)C1COC1 D79147 [0,1,0,1,0,0|0,1,0]=3 320 B8R1.38 CNC(=O)C1CNC1 P20515 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.38 COC(=O)C1COC1 81275 [0,1,0,1,0,0|1,1,0]=4 322 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.38 O=C(CBr)N1CCC1 P20407 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.50 CN1CC[C@H](Br)C1=O C77641 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.50 CN1CC[C@H](N)C1=O 51274 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.19 CC1(C)CCNC1=O 79628 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.19 CC1(C)CONC1=O D73557 [0,1,0,1,0,0|1,1,0]=4 328 B8R1.19 CC1(C)OCCC1=O P18857 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.37 CCCC(=O)C1CC1 P18081 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [0,1,0,1,0,0|0,1,0]=3 331 B8R1.54 C[C@H](Br)C(=O)C1CC1 P15980 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.11 N#C[C@H]1COCC1=O P13840 [0,1,0,1,0,0|0,1,1]=4 333 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.39 O=C(CCl)C1(Cl)CC1 D88098 [0,1,0,1,0,0|2,0,0]=4 337 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,2,0,0|1,0,0]=3 338 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|1,0,0]=3 339 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|0,1,0]=3 340 B8R2.19 O=C1CCC12CC2 P10135 [0,0,0,2,0,0|1,0,0]=3