0 B7R0.5 CC(=O)N(C)CC#N D84377 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.5 CC(C)C(=O)NCO 81303 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 CCCC(=O)C(N)=O AC9508 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.5 CCOC(=N)C(C)C W12825 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.5 CN(C)C(=O)CCCl F53638 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.5 CN(C)C(=O)CCN P17578 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.5 CN(C)C(=O)OCCl C77477 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.5 CNC[C@H](N)C(=O)O 88602 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.5 NCC[C@H](F)C(=O)O F19724 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.5 NCC[C@H](N)C(=O)O F10323 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 [C-]#[N+]CC(=O)N(C)C AC8445 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 C=C[C@@H](C)CCC T72328 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.1 CCNC(=O)OC C16084 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CCOC(=S)SC AC9840 [1,0,0,0,0,0|2,1,0]=4 17 B6R0.1 COCC(=O)CCl D85993 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 COCC(=O)OC F53343 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 O=C(CCCl)NO AC8818 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.3 C=C(CC)C(=O)O 81925 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.3 CCC(=O)C(N)=S 94003 [1,0,0,0,0,0|1,1,0]=3 22 B6R0.3 CC[C@H](S)C(=O)O F11548 [1,0,0,0,0,0|1,1,1]=4 23 B6R0.3 CN(C)C(=O)CS AT25548 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 C=C(C)CCCO 71061 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CCCNC(=S)[S-] I11294 [1,0,0,0,0,0|2,1,0]=4 27 B6R0.4 CCNCC(=O)O T72729 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CCONC(C)=O AT24904 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 CNCCC(N)=O C78256 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 COCOC(C)=O D72003 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 NC(=O)CCCO AT20755 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 NCCCC(=O)O T70552 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 NCCCC(N)=O AC5898 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 O=C(Cl)OCCF AT25498 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.3 C=C(CCl)C(=O)OCC T70430 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [0,1,0,0,0,0|1,0,2]=4 46 B8R0.8 C=C(C)C(=O)OCCBr T70933 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.8 CC(=O)N(C)CCCN C78500 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.8 CC(C)C(=O)CCC#N F51230 [0,1,0,0,0,0|1,0,2]=4 49 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.8 CN(C)C(=O)NCCO AT23088 [0,1,0,0,0,0|3,0,0]=4 53 B8R0.12 CCCC(F)(F)C(=O)O AT13009 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.12 CCC[C@](C)(N)C(=O)O AT19771 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.12 CCC[C@](C)(N)C(=O)O D78558 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.12 [2H]C([2H])(CCC)C(=O)O D98364 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.14 CCCC(=O)C(F)(F)F O10330 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.14 CNCC(=O)C(C)(C)C F50925 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.5 C=C1CCCNC1=O D80229 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.5 CN1CCCCC1=O C16744 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.5 CN1CCSCC1=O AT12016 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.5 O=C1CCCC=C1I 62778 [0,0,0,1,0,0|1,0,1]=3 70 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.5 O=C1NCCNC1=O AT12017 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.5 O=C1OCCC=C1Br AC2797 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.7 CC(=O)C1=NCCC1 H10253 [0,0,0,1,0,0|1,0,0]=2 76 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,0,0,1,0,0|1,0,1]=3 77 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,0,0,1,0,0|0,0,2]=3 78 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [0,0,0,1,0,0|1,1,1]=4 80 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [0,0,0,1,0,0|1,1,1]=4 81 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.24 CC1(C)C(=O)C[C@@H]1O AT20132 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [0,0,0,1,0,0|1,0,2]=4 87 B8R1.43 CCC1CC1C(=O)O AT12378 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.54 N[C@H](C(=O)O)C1CC1 59338 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.78 CC1(C(=O)Cl)CCC1 C77609 [0,0,0,1,0,0|2,0,1]=4 90 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,0,0,0,0,1|2,0,1]=4 91 B8R0.5 CCCC(=O)CC(C)C T72726 [0,0,0,0,0,1|1,0,1]=3 92 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,0,0,0,0,1|1,0,1]=3 93 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [0,0,0,0,0,1|2,0,1]=4 94 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [0,0,0,0,0,1|2,0,1]=4 95 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,0,0,0,0,1|2,0,1]=4 96 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,0,0,0,0,1|3,0,0]=4 97 B5R0.1 C=C(C)CCC D91296 [2,0,0,0,0,0|1,0,0]=3 98 B5R0.1 CC#CC(C)=O AC8567 [2,0,0,0,0,0|0,0,2]=4 99 B5R0.1 CC(=O)CCBr D82681 [2,0,0,0,0,0|1,0,0]=3 100 B5R0.1 CCC[C@H](C)N N10856 [2,0,0,0,0,0|1,0,1]=4 101 B5R0.1 CCC[C@H](C)N N15476 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.1 CNCC(C)=O 72642 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.1 CONC(C)=O AT24901 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.1 C[S@](=O)CCN AT24516 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.1 C[S@](=O)CCN AT24517 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.1 C[S@](=O)CCO E72546 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.1 C\C(I)=C/CI AC6903 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.1 NCCC(=O)O T70551 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.1 NCCC(N)=O AC6190 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.1 [2H]C(=O)OCC D98566 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.2 CCCNOC AT24927 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.2 C\C=C\CCN AT22492 [2,0,0,0,0,0|1,0,0]=3 113 B5R0.3 C=C(CC)CC D90428 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.3 CCC(=O)CCl AT22640 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.5 C=C(C)C(=O)[O-] F14145 [2,0,0,0,0,0|2,0,0]=4 116 B5R0.5 CC(=O)[C@H](C)N 91522 [2,0,0,0,0,0|1,0,1]=4 117 B5R0.5 [2H]N(C)C(C)=O D99692 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.2 CC(C)CC(=O)CN F50535 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.2 COC(=O)CN(C)C F21349 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.2 COC(=O)C[C@H](C)N N13255 [1,1,0,0,0,0|1,0,0]=3 121 B7R0.3 CCC(=O)OCOC D72002 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.3 CCCNC(=O)CN C78397 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.3 CNC(=O)NCCO AT23083 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.3 CNC(=O)OCCO AT13707 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.3 CNOCC(=O)OC AT14517 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.3 COC(=N)CCCCl C76486 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.3 COC(=O)CCCN 32601 [1,1,0,0,0,0|1,0,0]=3 128 B7R0.3 COC(=O)NCCN AT13709 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.7 CCOC(=O)CCN F19878 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.7 CCSC(=O)OCI C77591 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.7 O=C(CCBr)CCBr 52047 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.10 C=C(CC)C(=O)OC 82635 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.10 CNC(=O)[C@@H](N)CO N10757 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.10 COC(=O)[C@@H](F)CN 94842 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.10 COC(=O)[C@@H](N)CO D87908 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.10 COC(=O)[C@@H](O)CN A11345 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.10 COC(=O)[C@H](C)OC 29231 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [1,1,0,0,0,0|0,0,0]=2 142 B7R0.4 CC(=O)NCCCN AR2174 [1,1,0,0,0,0|1,0,0]=3 143 B7R0.4 CCNCCC(N)=O A11725 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.4 CC\C=C/CC(=O)O F18341 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.4 CNCCCC(N)=O AB11605 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.4 CNCCNC(C)=O C77870 [1,1,0,0,0,0|1,0,0]=3 147 B7R0.4 COC\C=C\C(=O)O P17072 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.4 C[S@](=O)CCCCN 13216 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.4 NC(=O)CCCCBr AC9465 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.4 NC(=O)CCCCCl AC5718 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.4 NCCCCC(N)=O AC3685 [1,1,0,0,0,0|1,0,1]=4 152 B9R0.4 CCOCC(=O)OC(C)C 94622 [0,1,0,0,0,1|1,0,1]=4 153 B9R0.6 C=C(C)C(=O)C(=O)OCC 90758 [0,1,0,0,0,1|2,0,0]=4 154 B9R0.6 CCOC(=O)[C@@H](F)C(=O)O C91038 [0,1,0,0,0,1|2,0,0]=4 155 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O 93013 [0,1,0,0,0,1|1,0,0]=3 156 B9R0.6 CCOC(=O)\C(C)=C(\C)N 96849 [0,1,0,0,0,1|2,0,0]=4 157 B9R0.34 CCC[C@H](N)CC(=O)OC N15477 [0,1,0,0,0,1|1,0,1]=4 158 B9R0.34 CCOC(=O)\C=C(/C)CBr H10647 [0,1,0,0,0,1|2,0,0]=4 159 B9R0.8 C=CCCC(=O)C(=O)OC D76611 [0,2,0,0,0,0|0,0,1]=3 160 B9R0.35 CCOC(=O)C(=O)C=[N+]=[N-] C90276 [0,2,0,0,0,0|1,0,1]=4 161 B9R0.37 CCOC(=O)\C(CBr)=N/O 88092 [0,2,0,0,0,0|1,0,1]=4 162 B9R0.7 CC(C)COC(=O)C(=O)Cl S11943 [0,2,0,0,0,0|1,0,0]=3 163 B9R0.7 CC(C)COC(=O)[C@H](C)N F52315 [0,2,0,0,0,0|1,0,1]=4 164 B9R0.7 CC(C)COC(=O)[C@H](C)N F52321 [0,2,0,0,0,0|1,0,1]=4 165 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,2,0,0,0,0|1,0,0]=3 166 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [0,2,0,0,0,0|1,0,1]=4 167 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,1,0,0|1,0,0]=3 169 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,1,0,0|1,0,0]=3 170 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [1,0,0,1,0,0|1,0,1]=4 174 B7R1.2 O=C1CC[C@H](F)C1 P11910 [1,0,0,1,0,0|1,0,1]=4 175 B7R1.2 O=C1C[C@H](S)CN1 39278 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.3 BrC1=CCCNC1 D85784 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.3 CC1=CCOCC1 F17726 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.3 ClC1=CCCCC1 FD10699 [1,0,0,1,0,0|1,0,0]=3 179 B7R1.3 S=C1CCCCC1 N16924 [1,0,0,1,0,0|0,1,1]=4 180 B7R1.4 CC1=C(C)CNC1 AT22666 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.4 C[C@H]1CCNC1=O C74322 [1,0,0,1,0,0|1,0,1]=4 182 B7R1.4 C[C@H]1CNCC1=O F13737 [1,0,0,1,0,0|1,0,1]=4 183 B7R1.4 C[C@H]1COCC1=O AT13358 [1,0,0,1,0,0|1,0,1]=4 184 B7R1.4 O=C1CCCC1=O AC2232 [1,0,0,1,0,0|0,0,0]=2 185 B7R1.22 CCC(=O)C1CC1 P11281 [1,0,0,1,0,0|0,0,1]=3 186 B7R1.22 NCC(=O)C1CC1 C77542 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.25 CC1(C=O)CCC1 90943 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.19 CC(=O)C1(F)CC1 W10354 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.20 CC(=O)CC1CC1 N12620 [1,0,0,1,0,0|0,0,1]=3 190 B9R1.7 CCCC1=CC(=O)NO1 AC2645 [0,0,0,1,0,1|1,0,1]=4 191 B9R1.13 CC(=O)C=C1CCCC1 F13249 [0,0,0,1,0,1|1,0,0]=3 192 B9R1.13 CC(=O)CC1CCCC1 N12760 [0,0,0,1,0,1|1,0,1]=4 193 B9R1.13 CC(=O)CN1CCCC1 F50500 [0,0,0,1,0,1|2,0,0]=4 194 B9R1.22 CC[C@@H]1NC(=O)OC1=O AC5827 [0,0,0,1,0,1|1,0,0]=3 195 B9R1.22 CC[C@@H]1NC(=O)OC1=O AC7387 [0,0,0,1,0,1|1,0,0]=3 196 B9R1.22 CC[C@@H]1NC(=S)NC1=O D73774 [0,0,0,1,0,1|1,1,0]=4 197 B9R1.22 O=C1N[C@@H](CCl)C(=O)O1 AC3946 [0,0,0,1,0,1|2,0,0]=4 198 B9R1.22 O=C1N[C@@H](CCl)C(=O)O1 AC7463 [0,0,0,1,0,1|2,0,0]=4 199 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [0,0,0,1,0,1|1,0,1]=4 200 B9R1.34 CC1CC(=O)CC(C)S1 89934 [0,0,0,1,0,1|0,1,1]=4 201 B9R1.34 CC1CC(=O)NC(=O)C1 D73894 [0,0,0,1,0,1|0,0,0]=2 202 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [0,0,0,1,0,1|1,0,1]=4 203 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [0,0,0,1,0,1|0,0,2]=4 204 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [0,0,0,1,0,1|0,0,0]=2 205 B9R1.66 O=C1CCCS(=O)(=O)C1 AT13044 [0,0,0,1,0,1|2,0,0]=4 206 B9R1.137 O=C(C[N+](=O)[O-])C1CC1 W10351 [0,0,0,1,0,1|2,0,0]=4 207 B9R1.3 CN1C(=O)CCNC1=O D72759 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.3 CN1CCC[C@H](N)C1=O P11331 [0,1,0,1,0,0|1,0,1]=4 209 B9R1.3 O=C1CCCC(O)=C1F P17611 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.37 CC1=C(O)[C@H](C)OC1=O 91383 [0,1,0,1,0,0|1,0,1]=4 211 B9R1.37 CN1C(=O)C[C@H](N)C1=O AT19101 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.37 CN1C(=O)C[C@H](O)C1=O AT19102 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.37 C[C@@H]1NC(=O)N(C)C1=O AT20207 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.37 C[C@@H]1NC(=O)N(C)C1=O AT20209 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.101 COC(=O)C(Cl)=C1CC1 C10172 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.101 COC(=O)[C@@H](N)C1CC1 D77035 [0,1,0,1,0,0|1,0,1]=4 217 B9R1.101 C[C@H](C#N)C(=O)C1CC1 84150 [0,1,0,1,0,0|1,0,1]=4 218 B9R1.110 CN(C)C(=O)[C@@H]1CCN1 A50748 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.5 CN1CCNCCC1=O AT20060 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,1,0,1,0,0|0,0,2]=4 221 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,1,0,1,0,0|1,0,1]=4 222 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,1,0,1,0,0|1,0,1]=4 225 B9R1.11 CCC(=O)C1CCCC1 F53464 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [0,1,0,1,0,0|1,0,1]=4 227 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [0,1,0,1,0,0|1,0,1]=4 228 B9R1.11 O=C(CBr)N1CCCC1 T71443 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.15 N#CC1=C(Cl)CCCC1 57508 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,1,0,1,0,0|0,0,2]=4 231 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [0,1,0,1,0,0|0,0,1]=3 232 B9R1.69 CC1=NN(C)C(=O)CC1 N16893 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.69 C[C@H]1CN(C)C(=O)CN1 F19683 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10819 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.186 COC(=O)C1(C)CCC1 57445 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [0,1,0,1,0,0|1,0,1]=4 238 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [0,1,0,1,0,0|1,0,1]=4 239 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,1,0,1,0,0|0,0,2]=4 240 B9R1.6 O=C(O)C1=CCCNC1 C10916 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.6 O=C(O)C1=CCCNC1 F13202 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.35 CC(=O)N1CC[C@H](N)C1 C72166 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.95 CC(=O)N1CC(CN)C1 AB10325 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.102 CC(C)(C)C(=O)C1CC1 F30713 [0,1,0,1,0,0|1,0,1]=4 246 B9R2.36 O=C1CC[C@H]1C2CC2 84016 [0,0,0,2,0,0|1,0,1]=4 247 B9R2.140 O=C1CCC12CCC2 84852 [0,0,0,2,0,0|1,0,1]=4