0 B6R0.4 C#CCNC(C)=O 78861 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.4 C#CCOC(C)C 79308 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.4 C#CCOC(N)=O 79516 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.4 C=C(C)CCCBr 71968 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.4 C=CCCC(=O)Cl F16765 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 CC(=O)CCC=O P17049 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.4 CC(=O)CCCBr 25631 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 CC(=O)OCCN W11955 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.4 CC(C)OCCBr 33996 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.4 CC(C)OCCN T71353 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.4 CCOCC(=O)O D73862 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 CCOC[C@H](C)N 75202 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 COC=CC(=O)O D97266 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.4 NC(=O)OCCO A11395 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.4 NCCCC(N)=O C72206 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 O=C(O)\C=C\CCl 11303 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.4 O=C([O-])CNCO F20522 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 C=C(C)CON F31248 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CCOC(N)=S A11227 [1,0,0,0,0,0|1,1,0]=3 22 B5R0.1 CN(C)CCO D93012 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CNCC(=O)[O-] F20742 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CNC[C@H](C)O AC1157 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 CNC[C@H](C)O N12528 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 COC[C@H](C)Br 78860 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 COC[C@H](C)N 25526 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 COC[C@H](C)N D95458 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 COC[C@H](C)N W17998 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 C[S+](C)CCCl 77752 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 C\C(I)=C/CI AC8880 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 C\C(I)=C\CI AC3855 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 N#CCC(=O)[O-] D70707 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 C#CCCC=O 89357 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 C#CCOCC C90311 [1,0,0,0,0,0|0,0,3]=4 37 B5R0.2 C=CCCNC W16107 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 CCCCON 31644 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.2 CNOCCN D97505 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 COCCCO D77912 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.2 O=CCCCO 55817 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.3 C#CCCC(=O)OC AT21755 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.3 C=C(CCl)OCOC P10081 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.3 C=CC(=O)NCCC AB9941 [0,1,0,0,0,0|1,0,1]=3 53 B7R0.3 C=CCCC(=O)OC AT23749 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.3 CCC(=O)OCCO A11774 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.3 CNCCC(=O)OC AB11809 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.3 COC(=O)C#CCO AB7534 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.3 COC(=O)CCCI F19766 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.3 COC(=O)\C=C\CCl AT12623 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.3 COC(=O)\C=C\CN AT20770 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.4 CC(=O)CCCCBr O11558 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.4 CC(=O)OCCCBr C75766 [0,1,0,0,0,0|0,0,0]=1 62 B7R0.4 CC(C)CCCCBr C74820 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.4 CCCNCC(C)C AC1640 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.4 CCCOCC(=O)O AC1647 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.4 CCNCCC(N)=O AT24732 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.4 CN(C)CCCCCl W16936 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.4 CNCCCC(N)=O 21232 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.4 COCCCC(=O)O 78063 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.4 COCCNC(N)=S T71533 [0,1,0,0,0,0|2,1,0]=4 70 B7R0.4 C[C@H](Cl)CCCCCl A12620 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.4 NCCNCC(=O)O FD21628 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.4 O=C([O-])COCCO A11454 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.5 CCCC(Br)C(C)Br D81745 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.5 CCC[C@H](O)C(=O)O 77792 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.5 CNC[C@H](N)C(=O)O N10392 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.5 COC[C@H](Br)C(=O)O C76037 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.5 NCC[C@H](F)C(=O)O D71941 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.6 CC(=O)NNC(C)C F19849 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.6 CC(=O)ON=C(C)C F19954 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.8 C#CCOS(C)(=O)=O S11862 [0,1,0,0,0,0|1,0,2]=4 92 B7R0.8 CS(=O)(=O)CCCCl Y14711 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.8 CS(=O)(=O)CCCN D70786 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.8 CS(=O)(=O)NCCCl 31219 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,0,0,1,0,0|1,0,0]=2 105 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,0,0,1,0,0|1,0,0]=2 107 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,0,0,1,0,0|1,0,0]=2 110 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.2 O=C1C=C(Br)CO1 W10959 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.2 O=C1C=C(O)CO1 F21287 [0,0,0,1,0,0|1,0,2]=4 113 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.2 O=C1COC(=O)N1 F20602 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.3 BrC1=CCCNC1 D97153 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.3 BrC1=CCOCC1 C90119 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.3 C=C1CCNCC1 88914 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.3 C=C1CCOCC1 84295 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.3 FC1=CCNCC1 P20375 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.3 NC1=NCCCN1 AC1271 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.3 O=C1C=CCCN1 88830 [0,0,0,1,0,0|1,0,2]=4 130 B7R1.3 O=C1C=CCOC1 O10790 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,1,0,0|0,1,0]=2 132 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.3 O=C1CSCCN1 23643 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.10 C=C1CC(CO)C1 D79070 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.10 COC1CC(=O)C1 P12741 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.10 O=C1CC(CBr)C1 39031 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.10 O=C1CC(CCl)C1 P11243 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.14 CC1(Br)CCCC1 P19649 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.14 CC1(C)CCCN1 71736 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.14 CC1(C)CCCN1 71895 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.14 CC1(N)CCCC1 90423 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.14 O=S1(=O)CCCO1 D77717 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.18 CC(=O)C1COC1 79962 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.18 C[C@H](N)C1CCC1 93060 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.18 C[C@H](N)C1CCC1 93062 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.18 NC(=O)C1CCC1 20365 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.18 O=C(O)C1=CCC1 P16818 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.18 O=C(O)C1COC1 81314 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.18 O=C(O)C1CSC1 P12604 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.18 O=[N+]([O-])C1CCC1 30647 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.20 C[C@H](O)CC1CC1 79072 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.20 O=C(Cl)CC1CC1 P19146 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [0,0,0,1,0,0|3,0,0]=4 163 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.1 C\C=C(\C)Br D93160 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.1 NCC(=O)O A10882 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.1 NCC(=O)O T72551 [2,0,0,0,0,0|2,0,0]=4 167 B4R0.1 O=C([O-])C[O-] 47204 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|1,0,0]=3 170 B4R0.2 COCCI A50601 [2,0,0,0,0,0|1,0,0]=3 171 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|1,1,0]=4 172 B6R0.1 CCC[C@@H](Br)CC D78429 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.1 CCC[C@H](N)CO C13482 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.1 CCNC(=O)CO 79517 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.1 CCO[C@@H](C)CO 91003 [1,1,0,0,0,0|0,0,2]=4 176 B6R0.1 CNC(=O)CCN C75423 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.1 CNC(=O)CCO AC6610 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.1 CNC(=O)CCS A11187 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.1 COC(=O)OCCl R10013 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.1 NNC(=O)CCO C77491 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [1,1,0,0,0,0|0,0,2]=4 183 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [1,1,0,0,0,0|0,0,2]=4 184 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [1,1,0,0,0,0|0,0,2]=4 185 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [1,1,0,0,0,0|0,0,2]=4 186 B6R0.2 CC(Br)CC(C)Br T70499 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.2 CC(C)CC(N)=O C75541 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.2 CC(C)NC(N)=O 44261 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.2 C[C@H](N)CN(C)C 76720 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.2 C[C@H](O)CN(C)C A11394 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.3 CCN(C)C(C)=O F19909 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.3 CC[C@H](N)C(N)=O I10243 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [1,1,0,0,0,0|0,0,2]=4 196 B6R0.3 C[C@@H](CN)C(=O)O F15101 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.3 C[C@@H](CN)C(=O)O F15242 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.3 NC(=O)[C@@H](N)CO D75098 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.3 NC[C@H](F)C(=O)O T73016 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.3 NC[C@H](O)C(=O)O O10173 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.5 CCCP(=O)(O)O C15829 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.5 CCOS(=O)(=O)Cl FD10603 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.5 CS(=O)(=O)CCBr AC1299 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.6 C=COCCON 32359 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.6 CC#CCCCO W16152 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.6 CCOCCCBr A11082 [1,1,0,0,0,0|0,0,1]=3 212 B6R0.6 CCOCCON W15834 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.6 CC\C=C/CCI 98107 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.6 CNCCCCBr C74879 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.6 CNCCCCN D80538 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.6 ClCCOCCI 12079 [1,1,0,0,0,0|1,0,1]=4 217 B6R0.6 OCCOCCF AT25497 [1,1,0,0,0,0|1,0,1]=4 218 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,2,0,0,0,0|2,0,0]=4 220 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,2,0,0,0,0|1,0,0]=3 221 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,2,0,0,0,0|1,0,0]=3 222 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,2,0,0,0,0|2,0,0]=4 223 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.16 CC(=O)OC(C#N)C#N 72776 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,2,0,0,0,0|1,0,0]=3 226 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,2,0,0,0,0|1,0,0]=3 227 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,2,0,0,0,0|2,0,0]=4 228 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,2,0,0,0,0|1,0,0]=3 230 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [0,2,0,0,0,0|1,0,1]=4 232 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,2,0,0,0,0|0,0,1]=3 233 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,2,0,0,0,0|2,0,0]=4 235 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.24 CC[C@H](C)OC(C)(C)C A10768 [0,2,0,0,0,0|1,0,1]=4 237 B8R0.24 CC[C@H](C)OS(C)(=O)=O 38073 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.34 C#CC(C)(C)OC(C)=O A10037 [0,2,0,0,0,0|0,0,2]=4 239 B8R0.1 CCCC(=O)OCCO D81566 [0,2,0,0,0,0|1,0,0]=3 240 B8R0.1 CCNC(=O)NCCN AR2426 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.1 CCOC(=O)CCCO C91677 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,2,0,0,0,0|2,0,0]=4 245 B8R0.6 CCCCCC(=O)CBr C73149 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.6 COC(=O)COCCO D84694 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.6 COC\C=C\C(=O)OC P17071 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.8 CN(C)C(=O)CCCCl S12226 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.25 CCCCC(C)(C)C=O D93253 [0,2,0,0,0,0|1,0,1]=4 257 B8R0.7 COCCNCC(=O)O W16095 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.7 NCCCCCC(=O)O P19609 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.7 NCCCCCC(N)=O AC6029 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.7 O=C([O-])CCCCCO Y14708 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.21 CS(=O)(=O)OCCC#N 74560 [0,2,0,0,0,0|1,0,1]=4 262 B8R0.28 CC(=O)NCCC(C)C S10520 [0,2,0,0,0,0|1,0,0]=3 263 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,2,0,0,0,0|0,0,1]=3 264 B8R0.28 CC(C)CNCC(=O)O W10796 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.28 CC(C)OCOC(C)C D93413 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.29 CC(=O)OC[B-](F)(F)F T73059 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.29 CC(=O)ONC(C)(C)C 77604 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.29 CC(C)(N)CNC(N)=O 46044 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.29 CC(C)=CCC(C)(C)C D93076 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.29 CC(C)COC(C)(C)C A10962 [0,2,0,0,0,0|1,0,1]=4 274 B8R0.29 CC(C)COS(C)(=O)=O A12119 [0,2,0,0,0,0|1,0,0]=3 275 B6R1.2 C=C1CCNC1 F13598 [1,0,0,1,0,0|2,0,0]=4 276 B6R1.2 NC1=NCCO1 53947 [1,0,0,1,0,0|2,0,0]=4 277 B6R1.2 NN1CCCC1 F13227 [1,0,0,1,0,0|2,0,0]=4 278 B6R1.2 NN1CCCC1 S12058 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.2 O=C1CNCN1 25530 [1,0,0,1,0,0|2,0,0]=4 280 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|0,0,0]=2 281 B6R1.5 CC1CC(N)C1 72358 [1,0,0,1,0,0|1,0,1]=4 282 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,1,0,0|1,0,0]=3 283 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|0,0,0]=2 284 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [1,0,0,1,0,0|1,0,1]=4 285 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [1,0,0,1,0,0|1,0,1]=4 286 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|1,0,0]=3 287 B6R1.10 CC1(N)CCC1 P10590 [1,0,0,1,0,0|1,0,1]=4 288 B6R1.10 CC1(N)CCC1 P10892 [1,0,0,1,0,0|1,0,1]=4 289 B6R1.10 CC1(O)CCC1 83777 [1,0,0,1,0,0|0,0,2]=4 290 B6R1.11 C[C@H](N)C1CC1 N10509 [1,0,0,1,0,0|1,0,1]=4 291 B6R1.11 C[C@H](N)C1CC1 W12229 [1,0,0,1,0,0|1,0,1]=4 292 B6R1.11 C[C@H](O)C1CC1 C77522 [1,0,0,1,0,0|0,0,2]=4 293 B6R1.11 C[C@H](O)C1CC1 C77523 [1,0,0,1,0,0|0,0,2]=4 294 B6R1.11 O=C([O-])[C@@H]1CO1 50549 [1,0,0,1,0,0|2,0,0]=4 295 B6R1.11 O=C([O-])[C@@H]1CO1 50593 [1,0,0,1,0,0|2,0,0]=4 296 B6R1.11 O=[S@]([O-])C1CC1 29996 [1,0,0,1,0,0|2,0,0]=4 297 B6R1.1 C1CCNNC1 71659 [1,0,0,1,0,0|2,0,0]=4 298 B6R1.4 CC1OCC1O P16543 [1,0,0,1,0,0|1,0,1]=4 299 B6R1.4 C[C@@H]1OCC1=O P16003 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|1,0,0]=3 301 B6R1.4 C[C@H]1CNC1=O P20594 [1,0,0,1,0,0|1,0,0]=3 302 B6R1.4 O=C1CC[C@@H]1Br P18435 [1,0,0,1,0,0|2,0,0]=4 303 B6R1.6 BrC[C@H]1CCO1 28585 [1,0,0,1,0,0|1,0,1]=4 304 B6R1.6 BrC[C@H]1CCO1 D97141 [1,0,0,1,0,0|1,0,1]=4 305 B6R1.6 BrC[C@H]1CCO1 P21121 [1,0,0,1,0,0|1,0,1]=4 306 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|2,0,0]=4 307 B6R1.6 NC[C@H]1CCO1 P20441 [1,0,0,1,0,0|1,0,1]=4 308 B6R1.6 O=CC1COC1 84841 [1,0,0,1,0,0|2,0,0]=4 309 B6R1.6 OC[C@H]1CCO1 26540 [1,0,0,1,0,0|1,0,1]=4 310 B6R1.6 OC[C@H]1CCO1 AT10832 [1,0,0,1,0,0|1,0,1]=4 311 B6R1.6 OC[C@H]1CCO1 P19736 [1,0,0,1,0,0|1,0,1]=4 312 B8R1.1 C#C[C@@H]1COC(=O)N1 66220 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [0,1,0,1,0,0|0,0,1]=3 314 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.1 N#C[C@@H]1CNC(=O)C1 P17251 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,1,0,1,0,0|1,0,0]=3 319 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [0,1,0,1,0,0|1,0,0]=3 327 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,1,0,1,0,0|1,0,0]=3 333 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,1,0,1,0,0|0,0,1]=3 338 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,1,0,1,0,0|0,0,1]=3 339 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,1,0,0|1,0,1]=4 341 B8R1.4 CC1COCC(C)N1 P10582 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,1,0,0|1,0,0]=3 343 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|1,0,0]=3 346 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|1,0,0]=3 347 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [0,1,0,1,0,0|1,0,1]=4 353 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,1,0,0|1,0,1]=4 361 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,1,0,1,0,0|1,0,1]=4 362 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,1,0,1,0,0|1,0,1]=4 366 B8R1.31 CC1NCC1C(=O)O P14366 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.34 CC(=O)CC1CCC1 D79207 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.34 CC(=O)CC1COC1 CS1731 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.34 CC(=O)OC1CNC1 C72427 [0,1,0,1,0,0|0,0,0]=2 375 B8R1.34 CC(=O)OC1CNC1 C76369 [0,1,0,1,0,0|0,0,0]=2 376 B8R1.34 O=C(O)CC1CNC1 37024 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.34 O=C(O)CC1COC1 66388 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.34 O=C(O)CN1CCC1 55159 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.34 O=C([O-])CC1COC1 P19943 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.40 COC(=O)CC1CC1 28012 [0,1,0,1,0,0|1,0,0]=3 381 B8R1.43 O=C(O)C1CC1CCl D85971 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,1,0,1,0,0|1,0,1]=4 384 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.51 CC1(C)CN=C(N)C1 D79278 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.51 CC1(C)COC(=O)C1 82056 [0,1,0,1,0,0|0,0,0]=2 390 B8R1.51 CC1(C)COC(=O)N1 38028 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.51 CC1(C)COC(=S)N1 24281 [0,1,0,1,0,0|1,1,0]=4 392 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,1,0,1,0,0|1,0,0]=3 393 B8R1.51 C[C@H]1CCS(=O)(=O)O1 E70444 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.51 C[C@H]1COS(=O)(=O)O1 Y11245 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.62 CC1(CO)CC(=O)C1 39121 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.2 BrCC1=CCCCC1 37274 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.2 COC1=NCCCC1 D87703 [0,1,0,1,0,0|1,0,1]=4 398 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,1,0,0|1,0,1]=4 399 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,1,0,1,0,0|1,0,1]=4 400 B8R1.2 O=CN1CCCCC1 D77795 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,1,0,1,0,0|1,0,1]=4 402 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,1,0,1,0,0|0,0,1]=3 403 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,1,0,0|1,0,1]=4 404 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,1,0,1,0,0|1,0,1]=4 405 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,1,0,1,0,0|1,0,0]=3 407 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,1,0,1,0,0|1,0,0]=3 409 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,1,0,1,0,0|1,0,1]=4 411 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,1,0,1,0,0|0,0,1]=3 415 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,1,0,0|0,0,0]=2 419 B8R1.3 O=C1NCC(O)CN1 D82915 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,1,0,0|1,0,1]=4 422 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|0,0,0]=2 424 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.5 NN1CCCCC1=O C74639 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|0,0,0]=2 434 B8R1.22 C[C@H]1CNCCCO1 72856 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.22 NC1=NCCCCC1 D85903 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.22 O=C1CCCCCN1 D94502 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.22 O=C1CCCCNC1 50109 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.22 O=C1CCCOCC1 P12770 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.22 O=C1CCNCCN1 58405 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.22 O=C1CNCCNC1 77718 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.22 O=C1CNCCOC1 P20266 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.22 O=C1COCCCN1 71169 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.22 O=C1OCCCCO1 D93115 [0,1,0,1,0,0|0,0,0]=2 444 B8R1.38 CCC(=O)C1COC1 D79147 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.38 CNC(=O)C1CNC1 P20515 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.38 COC(=O)C1COC1 81275 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.38 O=C(CBr)N1CCC1 P20407 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.50 CC1=C(Br)COC1=O W19136 [0,1,0,1,0,0|1,0,1]=4 450 B8R1.52 CC1(C=O)CCCC1 90941 [0,1,0,1,0,0|1,0,1]=4 451 B8R1.52 C[C@]1(CN)CCCO1 P18524 [0,1,0,1,0,0|1,0,1]=4 452 B8R1.6 CCCC1CC(=O)C1 D96728 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.6 N#CCC1CC(=O)C1 P15944 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,1,0,1,0,0|1,1,0]=4 456 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.7 NC(=O)N1CCCC1 32811 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [0,1,0,1,0,0|2,0,0]=4 460 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.19 C[C@@H]1COC[C@]1(C)O 73229 [0,1,0,1,0,0|0,0,2]=4 468 B8R1.35 O=C(O)CNC1CC1 F14996 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.35 O=C(O)CNC1CC1 W15242 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.72 CC1(C)CNCCO1 20348 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.23 CC(=O)N1CC(=O)C1 D96529 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.23 O=C1CC(C(F)F)C1 W13841 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.78 CC(=O)C1(C)COC1 32790 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.78 O=C(O)C1(O)CCC1 F50565 [0,1,0,1,0,0|2,0,0]=4 486 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,2,0,0|1,0,0]=3 487 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|1,0,0]=3 488 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|2,0,0]=4 489 B8R2.53 O=C1CC2(CC2)C1 N13186 [0,0,0,2,0,0|1,0,0]=3