0 B7R0.3 CCC(=O)OCOC D72002 [0,0,0,0,0,0|2,1,0]=3 1 B7R0.3 CCCNC(=O)CN C78397 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.3 CNC(=O)NCCO AT23083 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.3 CNC(=O)OCCO AT13707 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.3 CNOCC(=O)OC AT14517 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 COC(=N)CCCCl C76486 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.3 COC(=O)CCCN 32601 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 COC(=O)NCCN AT13709 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.3 COC(=O)\C=C\C=O D90666 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.3 COC(=O)\C=C\CO AT12483 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 CCNC(=O)OC C16084 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.1 CCOC(=S)SC AC9840 [1,0,0,0,0,0|1,2,0]=4 12 B6R0.1 COCC(=O)CCl D85993 [1,0,0,0,0,0|2,1,0]=4 13 B6R0.1 COCC(=O)OC F53343 [1,0,0,0,0,0|0,1,0]=2 14 B6R0.1 O=C(CCCl)NO AC8818 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 C=C(C)CCCO 71061 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.4 CC#CCC(=O)O AT21835 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.4 CCNCC(=O)O T72729 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.4 CCONC(C)=O AT24904 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.4 CNCCC(N)=O C78256 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 COCOC(C)=O D72003 [1,0,0,0,0,0|1,1,0]=3 21 B6R0.4 NC(=O)CCCO AT20755 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.4 NCCCC(=O)O T70552 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 NCCCC(N)=O AC5898 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 NOCCC(=O)O AT14539 [1,0,0,0,0,0|1,1,0]=3 25 B6R0.6 CCNCCSC AT25567 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.6 CNCCCOC F15969 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.6 COCCCC#N C77649 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 COCCCCN C77605 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 COCCCON AT14486 [1,0,0,0,0,0|1,1,1]=4 30 B6R0.6 CSCCN=C=S AT25553 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 C\C=C/CCCCl T71143 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 [2H]OCCCCC D99155 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.1 CCOC(=O)NCCN AT13715 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.3 C#CC[C@H](N)C(=O)OC AT23614 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.3 C#CC[C@H](N)C(=O)OC AT23615 [0,1,0,0,0,0|1,0,1]=3 36 B8R0.3 C#CC[C@H](N)C(=O)OC AT23616 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.3 C=CC[C@H](N)C(=O)OC 50495 [0,1,0,0,0,0|1,0,1]=3 38 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.3 COC(=O)[C@H](C)NC=O FD21108 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [0,1,0,0,0,0|0,1,0]=2 41 B8R0.6 CNC(=O)OCCCN AT13711 [0,1,0,0,0,0|3,0,0]=4 42 B8R0.6 COC(=O)NCCCN AT13710 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.8 CC(C)C(=O)CCC#N F51230 [0,1,0,0,0,0|3,0,0]=4 44 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [0,1,0,0,0,0|1,0,2]=4 46 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.19 COC(=O)CC(=O)CBr S11869 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.25 CNS(=O)(=O)CCOC AT20626 [0,1,0,0,0,0|2,1,0]=4 50 B8R1.1 C=C[C@@H]1COC(=O)C1 88424 [0,0,0,1,0,0|1,0,1]=3 51 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.2 CNC1CCSCC1 AT10410 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.3 C=C1CCC(=O)CC1 57377 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.3 O=C1COC(=O)CN1 P10244 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.5 CN1CCCCC1=O C16744 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.5 CN1CCSCC1=O AT12016 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.38 CCC(=O)C1CCC1 F53463 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.38 COC(=O)[C@@H]1CCN1 P19136 [0,0,0,1,0,0|2,0,0]=3 75 B5R0.1 C=C(C)CCC D91296 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.1 CC#CC(C)=O AC8567 [2,0,0,0,0,0|0,0,2]=4 77 B5R0.1 CC(=O)CCBr D82681 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.1 CCC[C@H](C)N N10856 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.1 CCC[C@H](C)N N15476 [2,0,0,0,0,0|1,0,1]=4 80 B5R0.1 CNCC(C)=O 72642 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.1 CONC(C)=O AT24901 [2,0,0,0,0,0|1,1,0]=4 82 B5R0.1 CSC[C@H](C)N AT10784 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.1 C[S@](=O)CCN AT24516 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 C[S@](=O)CCN AT24517 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.1 C[S@](=O)CCO E72546 [2,0,0,0,0,0|1,1,0]=4 86 B5R0.1 NCCC(=O)O T70551 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.1 NCCC(N)=O AC6190 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 NCC[P@H](=O)O S12399 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.1 [2H]C(=O)OCC D98566 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.2 C#CCCOC AC9661 [2,0,0,0,0,0|1,0,1]=4 91 B5R0.2 CCCCNO AT14838 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.2 CCCNOC AT24927 [2,0,0,0,0,0|1,0,0]=3 93 B5R0.2 CNCCSC D87904 [2,0,0,0,0,0|1,0,0]=3 94 B5R0.2 COCCNN AC7088 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.2 CONCCO AT24903 [2,0,0,0,0,0|1,1,0]=4 96 B5R0.2 C\C=C\CCN AT22492 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.2 [2H]OCCCC D98922 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.3 C=C(CC)CC D90428 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.3 C=C(SC)SC T70983 [2,0,0,0,0,0|1,1,0]=4 100 B5R0.3 CCC(=O)CCl AT22640 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.3 COC(=N)CCl H10399 [2,0,0,0,0,0|2,0,0]=4 102 B7R0.2 CC(C)CC(=O)CN F50535 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.2 COC(=O)CN(C)C F21349 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.2 COC(=O)C[C@H](C)N N13255 [1,1,0,0,0,0|0,0,0]=2 105 B7R0.5 CCCC(=O)C(N)=O AC9508 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.5 CN(C)C(=O)CCCl F53638 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.5 CN(C)C(=O)CCN P17578 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.7 CCOC(=O)CCN F19878 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.7 CCSC(=O)OCI C77591 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.7 O=C(CCBr)CCBr 52047 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.10 C=C(CC)C(=O)OC 82635 [1,1,0,0,0,0|0,0,1]=3 112 B7R0.10 CNC(=O)[C@@H](N)CO N10757 [1,1,0,0,0,0|1,1,0]=4 113 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [1,1,0,0,0,0|0,1,1]=4 115 B7R0.10 COC(=O)[C@@H](Cl)C=O 89839 [1,1,0,0,0,0|0,1,1]=4 116 B7R0.10 COC(=O)[C@@H](F)CN 94842 [1,1,0,0,0,0|1,0,0]=3 117 B7R0.10 COC(=O)[C@@H](N)CO D87908 [1,1,0,0,0,0|0,1,0]=3 118 B7R0.10 COC(=O)[C@@H](O)CN A11345 [1,1,0,0,0,0|1,0,0]=3 119 B7R0.10 COC(=O)[C@H](C)OC 29231 [1,1,0,0,0,0|0,1,0]=3 120 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC AC8795 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.4 C#CCNCC(=O)O AT20711 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.4 C#CCOCC(=O)O AT18966 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.4 C#CCSCC(=O)O AT18970 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.4 C=C(C)CC\C=C\C T72820 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.4 C=CCOCC(=O)O D77063 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.4 CC(=O)NCCCN AR2174 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.4 CCNCCC(N)=O A11725 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.4 CC\C=C/CC(=O)O F18341 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.4 CNCCCC(N)=O AB11605 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.4 CNCCNC(C)=O C77870 [1,1,0,0,0,0|1,0,0]=3 131 B7R0.4 COC\C=C\C(=O)O P17072 [1,1,0,0,0,0|0,1,1]=4 132 B7R0.4 C[S@](=O)CCCCN 13216 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.4 NC(=O)CCCCBr AC9465 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.4 NC(=O)CCCCCl AC5718 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.4 NCCCCC(N)=O AC3685 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.4 NCCSCC(=O)O AT25571 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.6 C=C(Br)CCC(=O)O C11119 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.6 CC(=S)NCC(=O)O D92690 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [1,1,0,0,0,0|0,0,2]=4 140 B7R0.8 CSCCS(=O)(=O)Cl AT12633 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.1 C\C=C/CCCCC T72919 [1,1,0,0,0,0|2,0,0]=4 142 B9R0.4 CCOCC(=O)OC(C)C 94622 [0,2,0,0,0,0|2,0,0]=4 143 B9R0.5 C#CCOCC(=O)OCC AT18918 [0,2,0,0,0,0|1,0,1]=4 144 B9R0.5 CCOC(=O)CCCNC AB10379 [0,2,0,0,0,0|1,0,0]=3 145 B9R0.5 CCOC(=O)CNCCN FD21627 [0,2,0,0,0,0|2,0,0]=4 146 B9R0.8 C=CCCC(=O)C(=O)OC D76611 [0,2,0,0,0,0|1,0,1]=4 147 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15758 [0,2,0,0,0,0|1,0,1]=4 148 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [0,2,0,0,0,0|1,0,1]=4 149 B9R0.34 CCC[C@H](N)CC(=O)OC N15477 [0,2,0,0,0,0|1,0,0]=3 150 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [0,2,0,0,0,0|2,0,0]=4 151 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [0,2,0,0,0,0|2,0,0]=4 152 B9R0.23 CCC(=O)[C@@H](C)CN(C)C 12890 [0,2,0,0,0,0|2,0,0]=4 153 B9R0.23 COC(=O)[C@@H](C)CN(C)C C80074 [0,2,0,0,0,0|1,0,0]=3 154 B9R0.23 COC(=O)[C@@H](N)CC(N)=O F53379 [0,2,0,0,0,0|2,0,0]=4 155 B9R0.23 COC(=O)[C@@H](N)CN(C)C AT25503 [0,2,0,0,0,0|1,0,0]=3 156 B9R0.27 CCC(=O)[C@H](Cl)C(=O)OC D86386 [0,2,0,0,0,0|1,0,1]=4 157 B9R0.60 COC(=O)C(C)(C)CC#N AT25865 [0,2,0,0,0,0|2,0,0]=4 158 B9R0.60 COC[C@](C)(N)C(=O)OC AT12795 [0,2,0,0,0,0|0,1,0]=3 159 B9R0.24 COC(=O)CC[S@](=O)OC CS2994 [0,2,0,0,0,0|0,0,1]=3 160 B9R0.24 COC(=O)CNC(=O)OC AC6655 [0,2,0,0,0,0|0,1,1]=4 161 B9R0.46 COC(=O)COCCCO 56926 [0,2,0,0,0,0|1,0,0]=3 162 B9R0.46 COCCCCC(=O)OC AC9127 [0,2,0,0,0,0|0,1,0]=3 163 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [0,2,0,0,0,0|2,0,0]=4 164 B9R0.13 CCCC[C@H](OC)C(=O)O AC6557 [0,2,0,0,0,0|1,0,1]=4 165 B9R0.42 COC(=O)C[C@H](C)C(=O)O FD10315 [0,2,0,0,0,0|2,0,0]=4 166 B9R0.42 COC(=O)C[C@H](O)C(=O)O AT10894 [0,2,0,0,0,0|2,0,0]=4 167 B9R0.21 COC(=O)CCS(N)(=O)=O D75465 [0,2,0,0,0,0|1,0,1]=4 168 B9R0.22 COC(=O)CC(C)(C)C#N AT13971 [0,2,0,0,0,0|2,0,0]=4 169 B7R1.1 COC1=NCCN1 D98226 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,1,0,0|0,0,0]=2 173 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,1,0,0|1,0,0]=3 175 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.2 O=C1CC[C@H](F)C1 P11910 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.2 O=C1C[C@H](S)CN1 39278 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.3 ClC1=CCCCC1 FD10699 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.3 S=C1CCCCC1 N16924 [1,0,0,1,0,0|1,1,0]=4 180 B7R1.4 C[C@H]1CCNC1=O C74322 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.4 C[C@H]1CNCC1=O F13737 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.4 C[C@H]1COCC1=O AT13358 [1,0,0,1,0,0|1,1,0]=4 183 B7R1.4 O=C1CCCC1=O AC2232 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.22 CCC(=O)C1CC1 P11281 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.22 NCC(=O)C1CC1 C77542 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.18 NC(=O)C1CNC1 E73179 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.18 NC(=O)C1COC1 D86258 [1,0,0,1,0,0|1,1,0]=4 188 B7R1.20 CC(=O)CC1CC1 N12620 [1,0,0,1,0,0|1,0,0]=3 189 B7R1.24 C1=CCCNCC1 C13802 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.24 C1CNCCSC1 W16417 [1,0,0,1,0,0|1,0,1]=4 191 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.2 COC1=CCCN(C)C1 AC7481 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.7 CNC[C@H]1CCC(=O)N1 AT13580 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.15 CC[C@H]1CNCCC1=O O11002 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.33 COC[C@H]1CCNC1=O AT19084 [0,1,0,1,0,0|1,1,0]=4 197 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.69 CC1=NN(C)C(=O)CC1 N16893 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.73 CCOC(=O)C1CSC1 F18444 [0,1,0,1,0,0|0,0,0]=2 201 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.3 CN1CCC[C@H](N)C1=O P11331 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.5 CN1CCNCCC1=O AT20060 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,1,0,1,0,0|1,0,0]=3 206 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.11 CCC(=O)C1CCCC1 F53464 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18760 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18761 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.11 COC(=O)[C@@H]1C=CCN1 F10707 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.11 COC(=O)[C@@H]1CSCN1 D74074 [0,1,0,1,0,0|0,0,0]=2 217 B9R1.11 COC(=O)[C@H]1CCNC1 C15796 [0,1,0,1,0,0|1,0,0]=3 218 B9R1.37 CC1C(O)CC(=O)N1C AT19118 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.82 CNC(=O)C1CC(O)C1 C14153 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.82 COC(=O)C1CC(N)C1 D78846 [0,1,0,1,0,0|1,0,0]=3 221 B9R1.82 COC(=O)N1CC(N)C1 AT23057 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.82 COC(=O)N1CC(O)C1 P17177 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 38015 [0,1,0,1,0,0|1,0,0]=3 224 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 P12407 [0,1,0,1,0,0|1,0,0]=3 225 B9R1.88 C#CC1CC1C(=O)OC 58313 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.88 COC(=O)C1CC1C#N P14710 [0,1,0,1,0,0|1,0,1]=4 227 B9R1.88 COC(=O)C1CC1CO D73969 [0,1,0,1,0,0|1,0,0]=3 228 B9R1.88 COC(=O)[C@H]1C[C@@H]1C=O AT23980 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.101 COC(=O)[C@@H](N)C1CC1 D77035 [0,1,0,1,0,0|1,0,0]=3 230 B9R1.186 COC(=O)C1(C)CCC1 57445 [0,1,0,1,0,0|1,0,0]=3 231 B9R1.186 COC(=O)C1(O)CNC1 AC2419 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.1 CC[C@H]1CNC(=O)CO1 90060 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.1 CNC1CCC(=O)CC1 AB9600 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.1 O=C1CCC(CBr)CC1 C77512 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.79 CNC(=O)C[C@H]1CCN1 F50337 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.79 CNC(=O)OC1CNC1 AT23014 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.79 COC(=O)NC1CNC1 AT23018 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.81 COC(=O)C1CCC1N P20420 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N AT10518 [0,1,0,1,0,0|1,0,0]=3 240 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.10 CC1(C)CCC(=O)NC1 55120 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.10 C[C@]1(O)CCC(=O)NC1 N10620 [0,1,0,1,0,0|2,0,0]=4 243 B9R2.140 O=C1CCC12CCC2 84852 [0,0,0,2,0,0|2,0,0]=4 244 B9R2.140 O=C1NCC12CCC2 AT19038 [0,0,0,2,0,0|2,0,0]=4 245 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,2,0,0|2,0,0]=4 246 B9R2.36 O=C1CC[C@H]1C2CC2 84016 [0,0,0,2,0,0|2,0,0]=4