0 B8R0.28 CC(=O)NCCC(C)C S10520 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.28 CC(C)CNCC(=O)O W10796 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.28 CC(C)OCOC(C)C D93413 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CC(=O)CCCCBr O11558 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.4 CC(=O)OCCCBr C75766 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CC(C)CCCCBr C74820 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CCCNCC(C)C AC1640 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCCOCC(=O)O AC1647 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.4 CCNCCC(N)=O AT24732 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CNCCCC(N)=O 21232 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 COCCCC(=O)O 78063 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.1 CC(C)CCC[C@H](C)CO A11755 [0,1,0,0,0,0|1,0,2]=4 14 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [0,1,0,0,0,0|3,0,0]=4 19 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.56 CC(=O)OCC[N+](C)(C)C C74167 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.56 CC(=O)SCC[Si](C)(C)C 74845 [0,1,0,0,0,0|0,2,0]=3 22 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.35 CC(C)C1=NNC(=O)C1 W16000 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 AT19193 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 60171 [0,0,0,1,0,0|1,2,0]=4 26 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.53 CC(=O)NC1CC(N)C1 P11362 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.53 CC(=O)NC1CC(N)C1 P18507 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.53 CC(=O)OC1CC(=O)C1 38846 [0,0,0,1,0,0|1,0,1]=3 42 B9R1.53 CC(C)O[C@H]1C[C@@H](N)C1 P17893 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.53 CC(C)O[C@H]1C[C@H](N)C1 P17885 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.53 CC1CC(CC(=O)O)C1 D79064 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.53 NC1CC(CC(=O)O)C1 38856 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 38857 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 38858 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.66 CC1(C)CCC[C@H](N)C1 P17894 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.66 CC1(C)C[C@@H](O)CCO1 86677 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.166 CC1(C)CN[C@@H]1C(=O)O P15974 [0,0,0,1,0,0|3,0,0]=4 53 B7R0.6 CC(=O)NNC(C)C F19849 [0,0,0,0,1,0|2,0,0]=3 54 B7R0.6 CC(=O)ON=C(C)C F19954 [0,0,0,0,1,0|1,0,1]=3 55 B7R0.6 CC(C)=CCC(=O)O 24307 [0,0,0,0,1,0|1,0,2]=4 56 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,0,0,0,1,0|2,0,0]=3 57 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,0,0,0,1,0|2,0,0]=3 58 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,0,0,0,1,0|2,0,0]=3 59 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,0,0,0,1,0|1,0,2]=4 60 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,0,0,0,1,0|2,0,0]=3 61 B9R0.55 CC(=O)CCCOC(C)=O D74850 [0,0,0,0,0,1|1,0,1]=3 62 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,0,0,0,0,1|2,0,0]=3 63 B6R0.4 C=C(C)CCCBr 71968 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.4 CC(=O)OCCN W11955 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.4 CC(C)CCC=O 31143 [2,0,0,0,0,0|0,0,0]=2 68 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 CCOC[C@H](C)N 75202 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.4 NC(=O)OCCO A11395 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 NCCCC(N)=O C72206 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.6 CCOCCCBr A11082 [2,0,0,0,0,0|1,0,1]=4 73 B8R0.5 CCCC(=O)CC(C)=O 79568 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.5 CCC[C@H](C)CC(C)C F17729 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.6 CCCCCC(=O)CBr C73149 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.7 CN(C)CCOCCO D77714 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.7 NCCCCCC(=O)O P19609 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.7 NCCCCCC(N)=O AC6029 [1,1,0,0,0,0|2,0,0]=4 81 B8R0.7 O=C([O-])CCCCCO Y14708 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [1,1,0,0,0,0|1,0,0]=3 85 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,1,0,0,1,0|0,0,1]=3 87 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,1,0,0,1,0|1,0,1]=4 88 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,1,0,0,1,0|1,0,1]=4 89 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,1,0,0,1,0|1,0,0]=3 90 B8R0.23 CC(C)N(C)CC(=O)O 71944 [0,1,0,0,1,0|2,0,0]=4 91 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,1,0,0,1,0|1,0,0]=3 92 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,1,0,0,1,0|1,0,0]=3 93 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,1,0,0,1,0|2,0,0]=4 94 B8R0.29 CC(=O)ONC(C)(C)C 77604 [0,1,0,0,1,0|1,0,0]=3 95 B8R0.29 CC(C)(N)CNC(N)=O 46044 [0,1,0,0,1,0|2,0,0]=4 96 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,1,0,0,1,0|1,0,0]=3 97 B8R0.29 CC(C)=CCC(C)(C)C D93076 [0,1,0,0,1,0|1,0,1]=4 98 B8R0.29 CC(C)COC(C)(C)C A10962 [0,1,0,0,1,0|1,0,1]=4 99 B8R0.29 CC(C)COS(C)(=O)=O A12119 [0,1,0,0,1,0|1,0,0]=3 100 B8R0.29 CN(C)CCC(C)(C)N C90168 [0,1,0,0,1,0|2,0,0]=4 101 B10R0.3 CC(C)CCC[C@H](C)CC=O AB7058 [0,2,0,0,0,0|1,0,1]=4 102 B10R0.77 CC(=O)OCOC(CCl)CCl D82493 [0,2,0,0,0,0|1,0,0]=3 103 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O D93747 [0,2,0,0,0,0|2,0,0]=4 104 B10R0.31 CC(=O)O[C@@H](C)C[N+](C)(C)C C75939 [0,2,0,0,0,0|1,0,0]=3 105 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [1,0,0,1,0,0|0,0,2]=4 106 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.4 CC1=CC(=O)OCC1 D93039 [1,0,0,1,0,0|0,0,2]=4 116 B8R1.4 CC1CC(N)CCO1 D78849 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.4 CC1CC(N)CCO1 P16002 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.4 CN1CCCC(=O)C1 S10664 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|1,0,0]=3 125 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.6 CCCC1CC(=O)C1 D96728 [1,0,0,1,0,0|1,0,0]=3 130 B8R1.6 CCOC1CC(N)C1 P13631 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.6 CCO[C@H]1C[C@@H](N)C1 P13633 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.7 NC(=O)N1CCCC1 32811 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.19 CC1(C)CCNC1=O 79628 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.19 CC1(C)CCNC1=S W12656 [1,0,0,1,0,0|1,1,0]=4 138 B8R1.19 CC1(C)CONC1=O D73557 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.19 CC1(C)OCCC1=O P18857 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.22 NC1=NCCCCC1 D85903 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.22 O=C1CCCCCN1 D94502 [1,0,0,1,0,0|1,0,0]=3 142 B8R1.22 O=C1CCCCNC1 50109 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.22 O=C1CCCOCC1 P12770 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.22 O=C1CCNCCN1 58405 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.22 O=C1COCCCN1 71169 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.22 O=C1OCCCCO1 D93115 [1,0,0,1,0,0|1,0,0]=3 147 B8R1.27 CNC[C@H]1CC1(C)C F20110 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.34 CC(=O)CC1CCC1 D79207 [1,0,0,1,0,0|1,0,0]=3 149 B8R1.34 CC(=O)CC1COC1 CS1731 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.34 CC(=O)OC1CNC1 C72427 [1,0,0,1,0,0|1,0,0]=3 151 B8R1.34 CC(=O)OC1CNC1 C76369 [1,0,0,1,0,0|1,0,0]=3 152 B8R1.72 CC1(Br)CCOCC1 AC1905 [1,0,0,1,0,0|1,0,1]=4 153 B8R1.72 CC1(N)CCOCC1 P16590 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.72 CC1(O)CCOCC1 69121 [1,0,0,1,0,0|1,0,1]=4 155 B8R1.72 C[N+]1(C)CCOCC1 AB10337 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.3 CC1CCC(O)CC1 D73186 [0,0,0,1,1,0|0,0,2]=4 157 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,0,1,1,0|0,0,2]=4 158 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,0,1,1,0|1,0,0]=3 159 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,0,0,1,1,0|0,0,2]=4 160 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,0,0,1,1,0|2,0,0]=4 161 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,0,0,1,1,0|2,0,0]=4 162 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,0,0,1,1,0|2,0,0]=4 163 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,0,0,1,1,0|2,0,0]=4 164 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,0,0,1,1,0|2,0,0]=4 165 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,0,0,1,1,0|2,0,0]=4 166 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,0,0,1,1,0|2,0,0]=4 167 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,0,1,1,0|1,0,1]=4 168 B8R1.3 O=C1CCC(F)CC1 23163 [0,0,0,1,1,0|1,0,0]=3 169 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,0,0,1,1,0|2,0,0]=4 170 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,0,0,1,1,0|2,0,0]=4 171 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,0,1,1,0|1,0,0]=3 172 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,0,0,1,1,0|1,0,0]=3 173 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,0,0,1,1,0|2,0,0]=4 174 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,0,0,1,1,0|2,0,0]=4 175 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,0,0,1,1,0|2,0,0]=4 176 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,0,0,1,1,0|2,0,0]=4 177 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,0,0,1,1,0|2,0,0]=4 178 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,0,0,1,1,0|2,0,0]=4 179 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,0,0,1,1,0|2,0,0]=4 180 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,0,0,1,1,0|2,0,0]=4 181 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,0,0,1,1,0|2,0,0]=4 182 B8R1.23 O=C1CC(C(F)F)C1 W13841 [0,0,0,1,1,0|2,0,0]=4 183 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,0,0,1,1,0|0,0,2]=4 184 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,1,1,0|0,0,0]=2 185 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,0,0,1,1,0|1,0,0]=3 186 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,0,0,1,1,0|1,0,0]=3 187 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,0,0,1,1,0|1,0,1]=4 188 B8R1.51 CC1(C)CN=C(N)C1 D79278 [0,0,0,1,1,0|2,0,0]=4 189 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,0,0,1,1,0|2,0,0]=4 190 B8R1.51 CC1(C)COC(=O)C1 82056 [0,0,0,1,1,0|0,0,0]=2 191 B8R1.51 CC1(C)COC(=O)N1 38028 [0,0,0,1,1,0|1,0,0]=3 192 B8R1.51 CC1(C)COC(=S)N1 24281 [0,0,0,1,1,0|1,1,0]=4 193 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,0,0,1,1,0|2,0,0]=4 194 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,0,0,1,0,1|1,0,1]=4 195 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 C15558 [0,0,0,1,0,1|1,0,0]=3 196 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 W10102 [0,0,0,1,0,1|1,0,0]=3 197 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17614 [0,0,0,1,0,1|2,0,0]=4 198 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [0,0,0,1,0,1|2,0,0]=4 199 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 D78964 [0,0,0,1,0,1|2,0,0]=4 200 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O 52532 [0,0,0,1,0,1|2,0,0]=4 201 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O F12448 [0,0,0,1,0,1|2,0,0]=4 202 B10R1.13 CC(=O)N1CCC(Cl)CC1 C73926 [0,1,0,1,0,0|2,0,0]=4 203 B10R1.13 CC(=O)N1CCN(C)CC1 AB1017 [0,1,0,1,0,0|2,0,0]=4 204 B10R1.13 CC(=O)N1CCN(C)CC1 Y10612 [0,1,0,1,0,0|2,0,0]=4 205 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [0,1,0,1,0,0|1,0,1]=4 206 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [0,1,0,1,0,0|2,0,0]=4 207 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [0,1,0,1,0,0|2,0,0]=4 208 B10R1.13 C[C@@H]1CC=C(C(=O)O)CC1 D79048 [0,1,0,1,0,0|2,0,0]=4 209 B10R1.14 COC(=O)C1CCC(O)C1 P17887 [0,1,0,1,0,0|2,0,0]=4 210 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 86119 [0,1,0,1,0,0|2,0,0]=4 211 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P13549 [0,1,0,1,0,0|2,0,0]=4 212 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P13902 [0,1,0,1,0,0|2,0,0]=4 213 B10R1.14 COC(=O)[C@H]1CCN(C)C1 F12360 [0,1,0,1,0,0|2,0,0]=4 214 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 P16721 [0,1,0,1,0,0|2,0,0]=4 215 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13551 [0,1,0,1,0,0|2,0,0]=4 216 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P20282 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P16736 [0,1,0,1,0,0|2,0,0]=4 218 B10R1.31 CC(=O)N1CC[C@H](CO)C1 N10632 [0,1,0,1,0,0|1,0,0]=3 219 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P18801 [0,1,0,1,0,0|1,0,0]=3 220 B10R1.150 COC(=O)CC1CC(N)C1 P19705 [0,1,0,1,0,0|2,0,0]=4 221 B10R1.150 COC(=O)CC1CC(O)C1 P17672 [0,1,0,1,0,0|2,0,0]=4 222 B10R1.171 CC1(C)C[C@@H](CBr)CCO1 54910 [0,1,0,1,0,0|1,0,1]=4 223 B10R1.171 CC1(C)C[C@@H](CN)CCO1 52507 [0,1,0,1,0,0|1,0,1]=4 224 B10R1.171 CC1(C)C[C@@H](CN)CCO1 65984 [0,1,0,1,0,0|1,0,1]=4 225 B10R1.302 CC1(C)CCNC(=O)CC1 W16051 [0,1,0,1,0,0|1,0,0]=3 226 B10R1.349 CC(C)C1CC(C(=O)O)C1 70890 [0,1,0,1,0,0|2,0,0]=4 227 B10R1.359 CC(=O)[C@H]1CCC(F)(F)C1 P15477 [0,1,0,1,0,0|2,0,0]=4 228 B10R1.329 CC1CC(C)(C)OC(C)O1 D93509 [0,1,0,1,0,0|0,0,2]=4 229 B10R1.112 CC(C)(C)OC1CC(=O)C1 W15905 [0,1,0,1,0,0|2,0,0]=4 230 B10R2.357 O=C(O)C1CC2CC2C1 38234 [0,0,0,2,0,0|2,0,0]=4 231 B10R2.365 NC(=O)CC12CC(C1)C2 D79316 [0,0,0,2,0,0|2,0,0]=4 232 B10R2.534 O=C1CCCC2(CC2)N1 82072 [0,0,0,2,0,0|2,0,0]=4 233 B10R2.534 O=C1CCNC2(CC2)C1 D78858 [0,0,0,2,0,0|2,0,0]=4 234 B10R2.633 O=C(O)C1CC1C2CC2 P10168 [0,0,0,2,0,0|2,0,0]=4 235 B6R0.2 CC(C)CC(N)=O C75541 [0,0,0,0,2,0|1,0,0]=3 236 B6R0.2 CC(C)NC(N)=O 44261 [0,0,0,0,2,0|2,0,0]=4 237 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,0,0,0,2,0|2,0,0]=4