0 B8R0.28 CC(=O)NCCC(C)C S10520 [0,0,0,0,0,0|2,0,0]=2 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|0,0,2]=2 3 B8R0.28 CC(C)CNCC(=O)O W10796 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.28 NC(=O)CCCC(N)=O F14537 [0,0,0,0,0,0|3,0,1]=4 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|3,0,0]=4 7 B7R0.4 CC(C)CCCCBr C74820 [1,0,0,0,0,0|1,0,1]=3 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|1,0,0]=2 10 B7R0.4 CCNCCC(N)=O AT24732 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 CN(C)CCCCCl W16936 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 CNCCCC(N)=O 21232 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 COCCCC(=O)O 78063 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.4 C[C@H](Cl)CCCCCl A12620 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 NCCNCC(=O)O FD21628 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.4 O=C([O-])COCCO A11454 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.1 CC(C)CCC[C@H](C)CO A11755 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.1 CN(CCCC(=O)O)N=O D93527 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.1 O=C(O)CCNC(=O)CCl W18663 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.7 CC(C)C(=O)NCC(=O)O F20066 [0,1,0,0,0,0|1,0,1]=3 23 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,1,0,0,0,0|1,0,1]=3 24 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O AC6938 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.7 C[C@H](N)C(=O)NCC(=O)O A12756 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.7 C[C@H](S)C(=O)NCC(=O)O C73708 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [0,1,0,0,0,0|1,0,0]=2 28 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [0,1,0,0,0,0|1,0,0]=2 29 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O FD21448 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O C72668 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,1,0,0,0,0|0,0,0]=1 32 B9R0.53 NC(CC(=O)O)CC(=O)O F12203 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.53 NC(CC(=O)O)CC(=O)O FD10075 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.53 O=C(O)CC(O)CC(=O)O AC1790 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.56 CC(=O)OCC[N+](C)(C)C C74167 [0,1,0,0,0,0|3,0,0]=4 36 B9R0.56 CC(=O)SCC[Si](C)(C)C 74845 [0,1,0,0,0,0|2,1,0]=4 37 B9R0.56 CN(C)CCCS(=O)(=O)Cl AC3123 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.56 O=C(O)CCCC(F)(F)F FD15007 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.35 CC(C)C1=NNC(=O)O1 AT18783 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 AT19193 [0,0,0,1,0,0|1,0,0]=2 42 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 60171 [0,0,0,1,0,0|2,1,0]=4 43 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,0,0,1,0,0|1,0,0]=2 44 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,0,0,1,0,0|1,0,0]=2 45 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,0,0,1,0,0|1,0,0]=2 46 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,0,0,1,0,0|1,0,0]=2 47 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,0,0,1,0,0|1,0,0]=2 48 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,0,0,1,0,0|1,0,0]=2 49 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 D93157 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 77750 [0,0,0,1,0,0|1,0,2]=4 51 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 D76148 [0,0,0,1,0,0|1,0,2]=4 52 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,0,0,1,0,0|1,0,0]=2 54 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,0,0,1,0,0|1,0,0]=2 55 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,0,0,1,0,0|1,0,0]=2 56 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,0,0,1,0,0|1,0,0]=2 57 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,0,0,1,0,0|1,0,0]=2 59 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 37985 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 78342 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P12517 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P15651 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.49 CN1CCC[C@H](O)CC1 63484 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.53 CC(=O)NC1CC(N)C1 P11362 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.53 CC(=O)NC1CC(N)C1 P18507 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.53 CC1CC(CC(=O)O)C1 D79064 [0,0,0,1,0,0|0,0,0]=1 71 B9R1.53 NC1CC(CC(=O)O)C1 38856 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 38857 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 38858 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.53 O=C(O)CC1CC(=O)C1 P14795 [0,0,0,1,0,0|1,0,1]=3 75 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.66 CC1(C)CCC[C@H](N)C1 P17894 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,0,0,1,0,0|2,0,0]=3 78 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10992 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.66 CC1(C)C[C@@H](O)CCO1 86677 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.161 NC(=O)C1CC1C(=O)O P15335 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O I10810 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O P15610 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O P15780 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.166 CC1(C)CN[C@@H]1C(=O)O P15974 [0,0,0,1,0,0|1,0,0]=2 85 B9R1.170 O=C(O)C[C@H]1CC1(F)F P15938 [0,0,0,1,0,0|2,0,0]=3 86 B7R0.6 CC(=O)NNC(C)C F19849 [0,0,0,0,1,0|3,0,0]=4 87 B7R0.6 CC(C)=CCC(=O)O 24307 [0,0,0,0,1,0|0,0,2]=3 88 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,0,0,0,1,0|1,0,1]=3 89 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,0,0,0,1,0|2,0,0]=3 90 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,0,0,0,1,0|1,0,1]=3 91 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,0,0,0,1,0|2,0,1]=4 92 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,0,0,0,1,0|1,0,0]=2 93 B7R0.6 O=C(O)CCC(=O)O D85169 [0,0,0,0,1,0|2,0,1]=4 94 B9R0.55 CC(=O)CCCOC(C)=O D74850 [0,0,0,0,0,1|2,0,1]=4 95 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,0,0,0,0,1|0,0,0]=1 96 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.4 CC(C)CCC=O 31143 [2,0,0,0,0,0|0,0,0]=2 99 B6R0.4 CC(C)OCCBr 33996 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 CC(C)OCCN T71353 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.4 C[C@H](Cl)CCCCl A11066 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 NCCCC(N)=O C72206 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.6 OCCCCCO D77911 [2,0,0,0,0,0|1,0,1]=4 105 B8R0.5 C=CC[C@H](N)CC(=O)O F15070 [1,1,0,0,0,0|0,0,2]=4 106 B8R0.5 CCCC(=O)CC(C)=O 79568 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,1,0,0,0,0|1,0,0]=3 108 B8R0.5 CCC[C@H](C)CC(C)C F17729 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,1,0,0,0,0|0,0,0]=2 110 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [1,1,0,0,0,0|0,0,2]=4 111 B8R0.6 CCCCCC(=O)CBr C73149 [1,1,0,0,0,0|1,0,0]=3 112 B8R0.6 COC(=O)COCCO D84694 [1,1,0,0,0,0|2,0,0]=4 113 B8R0.7 C#CCOCCC(=O)O 78672 [1,1,0,0,0,0|0,0,2]=4 114 B8R0.7 CN(C)CCOCCO D77714 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.7 COCCNCC(=O)O W16095 [1,1,0,0,0,0|1,0,0]=3 116 B8R0.7 NCCCCCC(=O)O P19609 [1,1,0,0,0,0|0,0,0]=2 117 B8R0.7 NCCCCCC(N)=O AC6029 [1,1,0,0,0,0|1,0,0]=3 118 B8R0.7 O=C([O-])CCCCCO Y14708 [1,1,0,0,0,0|0,0,1]=3 119 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [1,1,0,0,0,0|0,0,2]=4 120 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [1,1,0,0,0,0|0,0,2]=4 121 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [1,1,0,0,0,0|1,0,0]=3 122 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [1,1,0,0,0,0|0,0,0]=2 123 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [1,1,0,0,0,0|1,0,0]=3 124 B8R0.9 CC(C)CC\C(N)=N/O W10718 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.9 CC(C)NC[C@H](O)CO C16156 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.9 CCC(C)=CCC(=O)O C75612 [1,1,0,0,0,0|0,0,2]=4 127 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [1,1,0,0,0,0|2,0,0]=4 128 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [1,1,0,0,0,0|1,0,0]=3 129 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [1,1,0,0,0,0|1,0,0]=3 130 B8R0.9 O=C(O)CCC(=O)CBr P19462 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.21 CCCCCS(N)(=O)=O P18656 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.21 NCCCCP(=O)(O)O C10655 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [0,1,0,0,1,0|0,0,2]=4 134 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,1,0,0,1,0|1,0,1]=4 135 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,1,0,0,1,0|0,0,0]=2 136 B8R0.23 CC(C)N(C)CC(=O)O 71944 [0,1,0,0,1,0|1,0,0]=3 137 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,1,0,0,1,0|0,0,0]=2 138 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,1,0,0,1,0|0,0,0]=2 139 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,1,0,0,1,0|1,0,0]=3 140 B8R0.29 CC(C)(N)CNC(N)=O 46044 [0,1,0,0,1,0|2,0,0]=4 141 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,1,0,0,1,0|0,0,0]=2 142 B10R0.55 COC(=O)CCCCC(C)=O F16317 [0,1,0,0,0,1|1,0,1]=4 143 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [0,2,0,0,0,0|0,0,2]=4 144 B10R0.3 CC(C)CCC[C@H](C)CC=O AB7058 [0,2,0,0,0,0|1,0,1]=4 145 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O D93747 [0,2,0,0,0,0|0,0,0]=2 146 B10R0.92 CC(C)(C)OC[C@H](O)C(=O)O 70252 [0,2,0,0,0,0|1,0,0]=3 147 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)[O-] 44208 [0,2,0,0,0,0|1,0,1]=4 148 B8R1.1 CN1CC[C@H](CO)C1 22985 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.1 CN1CC[C@H](CO)C1 37309 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [1,0,0,1,0,0|1,0,0]=3 160 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.1 O=C1CC[C@H](CO)O1 80970 [1,0,0,1,0,0|1,0,0]=3 162 B8R1.1 O=C1NC[C@H](CO)O1 70228 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.4 C=C1CCCC(=O)O1 D93802 [1,0,0,1,0,0|0,0,2]=4 164 B8R1.4 CC1CC(O)CCN1 33466 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.4 CC1CC(O)CCN1 P17258 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.4 CC1CNCC(O)C1 AC5056 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.4 CN1CCCC(=O)C1 S10664 [1,0,0,1,0,0|1,0,0]=3 168 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [1,0,0,1,0,0|1,0,0]=3 170 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [1,0,0,1,0,0|1,0,0]=3 171 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [1,0,0,1,0,0|1,0,0]=3 172 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,0,0,1,0,0|1,0,0]=3 173 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|1,0,0]=3 175 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [1,0,0,1,0,0|1,0,0]=3 182 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [1,0,0,1,0,0|1,0,1]=4 183 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [1,0,0,1,0,0|1,0,1]=4 184 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.6 CCCC1CC(=O)C1 D96728 [1,0,0,1,0,0|1,0,0]=3 190 B8R1.6 CN1CC(CCO)C1 37197 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.7 NC(=O)N1CCCC1 32811 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [1,0,0,1,0,0|1,0,0]=3 205 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [1,0,0,1,0,0|0,0,1]=3 209 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [1,0,0,1,0,0|0,0,1]=3 210 B8R1.19 CC1(C)CCNC1=O 79628 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.19 CC1(C)CCNC1=S W12656 [1,0,0,1,0,0|1,1,0]=4 212 B8R1.19 CC1(C)CONC1=O D73557 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.19 CC1(C)OCCC1=O P18857 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.22 C[C@H]1CCCCNC1 72971 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.22 C[C@H]1CNCCOC1 73160 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.22 NC1=NCCCCC1 D85903 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.22 O=C1CCCCCN1 D94502 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.22 O=C1CCCCNC1 50109 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.22 O=C1CCCOCC1 P12770 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.22 O=C1CCNCCN1 58405 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.22 O=C1COCCCN1 71169 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.22 O=C1OCCCCO1 D93115 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.27 CNC[C@H]1CC1(C)C F20110 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.31 CC1NCC1C(=O)O P14366 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [1,0,0,1,0,0|1,0,0]=3 228 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [1,0,0,1,0,0|1,0,0]=3 229 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.34 CC(=O)CC1CCC1 D79207 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.34 CC(=O)CC1COC1 CS1731 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.34 N=C(N)CC1CCC1 33747 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.34 O=C(O)CC1CNC1 37024 [1,0,0,1,0,0|1,0,0]=3 234 B8R1.34 O=C(O)CC1COC1 66388 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.34 O=C(O)CN1CCC1 55159 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.34 O=C([O-])CC1COC1 P19943 [1,0,0,1,0,0|1,0,1]=4 237 B8R1.35 O=C(O)CNC1CC1 F14996 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.35 O=C(O)CNC1CC1 W15242 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.36 OCCCC[C@H]1CO1 F52608 [1,0,0,1,0,0|1,0,1]=4 240 B8R1.36 OCCNCC1CC1 AC1354 [1,0,0,1,0,0|1,0,1]=4 241 B8R1.43 N#CC1CC1C(=O)O P14648 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O P14731 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O P14732 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.43 O=C(O)C1CC1CCl D85971 [1,0,0,1,0,0|1,0,0]=3 245 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [1,0,0,1,0,0|1,0,0]=3 246 B8R1.72 CC1(C)CNCCO1 20348 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.3 CC1CCC(O)CC1 D73186 [0,0,0,1,1,0|1,0,1]=4 248 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,0,1,1,0|1,0,1]=4 249 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,0,1,1,0|1,0,0]=3 250 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,0,0,1,1,0|1,0,1]=4 251 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,0,0,1,1,0|2,0,0]=4 252 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,0,0,1,1,0|2,0,0]=4 253 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,0,0,1,1,0|2,0,0]=4 254 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,0,0,1,1,0|2,0,0]=4 255 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,0,0,1,1,0|2,0,0]=4 256 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,0,0,1,1,0|2,0,0]=4 257 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,0,0,1,1,0|2,0,0]=4 258 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,0,1,1,0|1,0,1]=4 259 B8R1.3 O=C1CCC(F)CC1 23163 [0,0,0,1,1,0|2,0,0]=4 260 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,0,0,1,1,0|2,0,0]=4 261 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,0,0,1,1,0|2,0,0]=4 262 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,0,1,1,0|1,0,0]=3 263 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,0,0,1,1,0|1,0,0]=3 264 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,0,0,1,1,0|1,0,0]=3 265 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,0,0,1,1,0|1,0,0]=3 266 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,0,0,1,1,0|1,0,0]=3 267 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,0,0,1,1,0|1,0,0]=3 268 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,0,0,1,1,0|1,0,0]=3 269 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,0,0,1,1,0|1,0,0]=3 270 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,0,0,1,1,0|1,0,0]=3 271 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,0,0,1,1,0|1,0,0]=3 272 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,0,0,1,1,0|1,0,0]=3 273 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,1,1,0|1,0,0]=3 274 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,0,0,1,1,0|1,0,0]=3 275 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,0,0,1,1,0|0,0,0]=2 276 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,0,0,1,1,0|1,0,0]=3 277 B8R1.51 CC1(C)COC(=O)C1 82056 [0,0,0,1,1,0|2,0,0]=4 278 B8R1.51 CC1(C)COC(=O)N1 38028 [0,0,0,1,1,0|2,0,0]=4 279 B8R1.77 O=C(O)C1CC1(F)Cl CS1218 [0,0,0,1,1,0|2,0,0]=4 280 B8R1.77 O=C(O)[C@H]1CC1(F)F P15788 [0,0,0,1,1,0|2,0,0]=4 281 B8R1.77 O=C(O)[C@H]1CC1(F)F P17160 [0,0,0,1,1,0|2,0,0]=4 282 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 80174 [0,0,0,1,0,1|1,0,1]=4 283 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 FD10090 [0,0,0,1,0,1|1,0,0]=3 284 B10R1.82 O=C(O)CCC1CC(=O)C1 P16547 [0,0,0,1,0,1|1,0,1]=4 285 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 C15558 [0,0,0,1,0,1|2,0,0]=4 286 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 W10102 [0,0,0,1,0,1|2,0,0]=4 287 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [0,0,0,1,0,1|1,0,0]=3 288 B10R1.113 CC1CNCC(C(=O)O)O1 F18917 [0,0,0,1,0,1|1,0,0]=3 289 B10R1.113 CN1CCC=C(C(=O)O)C1 O10419 [0,0,0,1,0,1|1,0,1]=4 290 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15822 [0,0,0,1,0,1|1,0,0]=3 291 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15830 [0,0,0,1,0,1|1,0,0]=3 292 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB1537 [0,0,0,1,0,1|1,0,0]=3 293 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17614 [0,0,0,1,0,1|1,0,0]=3 294 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [0,0,0,1,0,1|0,0,0]=2 295 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 D78964 [0,0,0,1,0,1|0,0,0]=2 296 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [0,0,0,1,0,1|1,0,0]=3 297 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [0,0,0,1,0,1|1,0,0]=3 298 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [0,0,0,1,0,1|1,0,0]=3 299 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [0,0,0,1,0,1|1,0,0]=3 300 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [0,0,0,1,0,1|1,0,0]=3 301 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [0,0,0,1,0,1|1,0,0]=3 302 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [0,0,0,1,0,1|1,0,0]=3 303 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [0,0,0,1,0,1|1,0,0]=3 304 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [0,0,0,1,0,1|1,0,0]=3 305 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [0,0,0,1,0,1|1,0,0]=3 306 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [0,0,0,1,0,1|1,0,0]=3 307 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96696 [0,0,0,1,0,1|1,0,1]=4 308 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96697 [0,0,0,1,0,1|1,0,1]=4 309 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 F30241 [0,0,0,1,0,1|1,0,1]=4 310 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 F13748 [0,0,0,1,0,1|1,0,1]=4 311 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O 52532 [0,0,0,1,0,1|0,0,0]=2 312 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O F12448 [0,0,0,1,0,1|0,0,0]=2 313 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] 42785 [0,0,0,1,0,1|1,0,1]=4 314 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [0,1,0,1,0,0|1,0,1]=4 315 B10R1.13 CC(C)[C@H]1CC[C@@H](O)CC1 D78896 [0,1,0,1,0,0|1,0,1]=4 316 B10R1.13 CC(C)[C@H]1CC[C@H](O)CC1 T71864 [0,1,0,1,0,0|1,0,1]=4 317 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [0,1,0,1,0,0|0,0,1]=3 318 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [0,1,0,1,0,0|0,0,0]=2 319 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [0,1,0,1,0,0|0,0,0]=2 320 B10R1.13 CC1COC(C(=O)O)CN1 F18937 [0,1,0,1,0,0|1,0,0]=3 321 B10R1.13 CN1CCC(C(N)=O)CC1 AB1540 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.13 CN1CCN(C(=O)O)CC1 D81033 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.13 C[C@@H]1CC=C(C(=O)O)CC1 D79048 [0,1,0,1,0,0|0,0,1]=3 324 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [0,1,0,1,0,0|1,0,0]=3 325 B10R1.13 O=C(O)C1CCC(O)CN1 F30864 [0,1,0,1,0,0|1,0,0]=3 326 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 86182 [0,1,0,1,0,0|1,0,0]=3 327 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P14578 [0,1,0,1,0,0|1,0,0]=3 328 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P15745 [0,1,0,1,0,0|1,0,0]=3 329 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [0,1,0,1,0,0|1,0,0]=3 330 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [0,1,0,1,0,0|1,0,0]=3 331 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 66144 [0,1,0,1,0,0|1,0,1]=4 332 B10R1.14 COC(=O)C1CCC(O)C1 P17887 [0,1,0,1,0,0|1,0,0]=3 333 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 86119 [0,1,0,1,0,0|1,0,0]=3 334 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P13549 [0,1,0,1,0,0|1,0,0]=3 335 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P13902 [0,1,0,1,0,0|1,0,0]=3 336 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 71650 [0,1,0,1,0,0|2,0,0]=4 337 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 AT21627 [0,1,0,1,0,0|2,0,0]=4 338 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 72963 [0,1,0,1,0,0|2,0,0]=4 339 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 83570 [0,1,0,1,0,0|2,0,0]=4 340 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P10176 [0,1,0,1,0,0|1,0,1]=4 341 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P12477 [0,1,0,1,0,0|1,0,1]=4 342 B10R1.14 COC(=O)[C@H]1CCN(C)C1 F12360 [0,1,0,1,0,0|1,0,0]=3 343 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 P16721 [0,1,0,1,0,0|1,0,0]=3 344 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13551 [0,1,0,1,0,0|1,0,0]=3 345 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P20282 [0,1,0,1,0,0|1,0,0]=3 346 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P16736 [0,1,0,1,0,0|1,0,0]=3 347 B10R1.31 CC(=O)N1CC[C@H](CO)C1 N10632 [0,1,0,1,0,0|2,0,0]=4 348 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P18801 [0,1,0,1,0,0|2,0,0]=4 349 B10R1.150 COC(=O)CC1CC(=O)C1 84726 [0,1,0,1,0,0|1,0,1]=4 350 B10R1.150 COC(=O)CC1CC(N)C1 P19705 [0,1,0,1,0,0|1,0,0]=3 351 B10R1.150 COC(=O)CC1CC(O)C1 P17672 [0,1,0,1,0,0|1,0,0]=3 352 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O D78920 [0,1,0,1,0,0|1,0,1]=4 353 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O F14371 [0,1,0,1,0,0|1,0,1]=4 354 B10R1.302 CC1(C)CCNC(=O)CC1 W16051 [0,1,0,1,0,0|2,0,0]=4 355 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O P15598 [0,1,0,1,0,0|1,0,1]=4 356 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O P15789 [0,1,0,1,0,0|1,0,1]=4 357 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O P17161 [0,1,0,1,0,0|1,0,1]=4 358 B10R1.83 CC1(C)C(=O)C[C@@H]1C(=O)O 38974 [0,1,0,1,0,0|0,0,1]=3 359 B10R1.211 O=C(O)CNC(=O)C1CC1 F20136 [0,1,0,1,0,0|1,0,1]=4 360 B10R1.349 CC(C)C1CC(C(=O)O)C1 70890 [0,1,0,1,0,0|0,0,0]=2 361 B10R1.349 CC(C)N1CC(C(=O)O)C1 D70989 [0,1,0,1,0,0|1,0,0]=3 362 B10R1.349 CN(C)C1CC(C(=O)O)C1 P13961 [0,1,0,1,0,0|1,0,0]=3 363 B10R1.359 CC(=O)[C@H]1CCC(F)(F)C1 P15477 [0,1,0,1,0,0|2,0,0]=4 364 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 P12511 [0,1,0,1,0,0|1,0,0]=3 365 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 26955 [0,1,0,1,0,0|1,0,0]=3 366 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 27406 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 39471 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 P13092 [0,1,0,1,0,0|2,0,0]=4 369 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O D96820 [0,1,0,1,0,0|2,0,0]=4 370 B10R1.310 CN1CC(C)(C)[C@H]1C(=O)O P18440 [0,1,0,1,0,0|1,0,0]=3 371 B10R1.329 CC1(C)CC(=O)CC(=O)N1 76329 [0,1,0,1,0,0|1,0,1]=4 372 B10R1.371 O=C(O)CC1CC(F)(F)C1 83811 [0,1,0,1,0,0|1,0,0]=3 373 B10R1.112 CC(C)(C)OC1CC(=O)C1 W15905 [0,1,0,1,0,0|2,0,0]=4 374 B10R1.347 O=C(O)[C@H]1C[C@@H]1C(F)(F)F 59723 [0,1,0,1,0,0|2,0,0]=4 375 B10R2.178 O=C1NCC2CCC1N2 P17879 [0,0,0,2,0,0|2,0,0]=4 376 B10R2.355 O=C(O)C1NCC2CC21 P16025 [0,0,0,2,0,0|1,0,0]=3 377 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 54180 [0,0,0,2,0,0|2,0,0]=4 378 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 D82603 [0,0,0,2,0,0|2,0,0]=4 379 B10R2.357 O=C(O)C1CC2CC2C1 38234 [0,0,0,2,0,0|0,0,0]=2 380 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 38337 [0,0,0,2,0,0|1,0,0]=3 381 B10R2.365 NC(=O)CC12CC(C1)C2 D79316 [0,0,0,2,0,0|1,0,0]=3 382 B10R2.534 O=C1CCCC2(CC2)N1 82072 [0,0,0,2,0,0|1,0,0]=3 383 B10R2.534 O=C1CCNC2(CC2)C1 D78858 [0,0,0,2,0,0|2,0,0]=4 384 B10R2.534 O=C1COCC2(CC2)N1 80088 [0,0,0,2,0,0|2,0,0]=4 385 B10R2.633 O=C(O)C1CC1C2CC2 P10168 [0,0,0,2,0,0|0,0,0]=2 386 B6R0.2 CC(C)CC(N)=O C75541 [0,0,0,0,2,0|1,0,0]=3 387 B6R0.2 CC(C)NC(N)=O 44261 [0,0,0,0,2,0|2,0,0]=4 388 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,0,0,0,2,0|1,0,0]=3