0 B8R1.3 CN1CCC(O)CC1 AC511326 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 C[C@H]1CC[C@H](N)CC1 AC182092 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.3 N[C@H]1CC[C@H](N)CC1 AC500280 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.3 OC1CCC(=O)CC1 AC070138 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.3 OC1CCC(=O)NC1 AC050438 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.3 OC1COC(O)CO1 AC500041 [0,0,0,0,0,0|0,2,0]=2 6 B8R1.3 O[C@@H]1CCC(=O)NC1 AC050213 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.3 O[C@H]1CCC(=O)NC1 AC050474 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.3 C1CSCCC1O LN00163913 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.3 CC1CNCCO1 AC182283 [1,0,0,0,0,0|2,1,0]=4 10 B7R1.3 CC1CNCCO1 LN00002207 [1,0,0,0,0,0|2,1,0]=4 11 B7R1.3 CC1COCCN1 LN00001061 [1,0,0,0,0,0|2,1,0]=4 12 B7R1.3 C[C@@H]1CNCCO1 LN00221932 [1,0,0,0,0,0|2,1,0]=4 13 B7R1.3 C[C@@H]1COCCN1 AC182578 [1,0,0,0,0,0|2,1,0]=4 14 B7R1.3 C[C@H]1CNCCO1 LN00221210 [1,0,0,0,0,0|2,1,0]=4 15 B7R1.3 C[C@H]1COCCN1 AC020353 [1,0,0,0,0,0|2,1,0]=4 16 B7R1.3 C[C@H]1COCCN1 LN00009351 [1,0,0,0,0,0|2,1,0]=4 17 B7R1.3 FC1CCCNC1 AC160531 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 NC1CCCNC1 AC180284 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 N[C@@H]1CCCNC1 AC020138 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.3 OC1CCCNC1 AC180283 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 OC1CCCOC1 AC220041 [1,0,0,0,0,0|1,1,0]=3 22 B7R1.3 OC1CCNCC1 AC180401 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.3 OC1CCNCC1 AC220140 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.3 OC1CCOCC1 AC220010 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.3 OC1CCSCC1 AC010334 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.3 O[C@@H]1CCCNC1 AC511587 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 O[C@H]1CCCNC1 AC181658 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.1 CNC1CCC(O)CC1 AC330005 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.1 COC1CCC(N)CC1 AC182760 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.1 OC1CCC(CC1)C#N AC182735 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.10 OC1CCC(F)(F)CC1 AC182559 [0,1,0,0,0,0|3,0,0]=4 32 B7R1.2 CN1CCC(C1)O LN00004977 [0,0,0,0,1,0|3,0,0]=4 33 B7R1.2 CN1CCC(O)C1 AC021691 [0,0,0,0,1,0|3,0,0]=4 34 B7R1.2 CN1CC[C@H](C1)O LN00170776 [0,0,0,0,1,0|3,0,0]=4 35 B7R1.2 CN1CC[C@H](O)C1 AC181714 [0,0,0,0,1,0|3,0,0]=4 36 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [0,0,0,0,1,0|1,0,2]=4 37 B6R0.4 CC(C)CCCO AC510897 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.6 OCCCCCBr AC500312 [1,0,1,0,0,0|2,0,0]=4 39 B6R1.1 C1CC=CCS1 AC010335 [2,0,0,0,0,0|1,0,1]=4 40 B6R1.1 C1CCNCC1 AC511092 [2,0,0,0,0,0|2,0,0]=4 41 B6R1.1 C1CNCCN1 HY-B0912 [2,0,0,0,0,0|2,0,0]=4 42 B6R1.1 C1CSCCN1 AC500065 [2,0,0,0,0,0|1,0,0]=3 43 B6R1.1 C1CSCSC1 AC130234 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 NOC1CCCCO1 AC500056 [1,1,0,0,0,0|1,1,0]=4 45 B8R1.2 OCC1CCCNC1 AC180122 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.2 OCC1CCCOC1 AC050373 [1,1,0,0,0,0|1,1,0]=4 47 B8R1.2 OC[C@@H]1CCCCN1 AC160434 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.2 OC[C@@H]1CNCCO1 AC182725 [1,1,0,0,0,0|1,1,0]=4 49 B8R1.2 OC[C@H]1CNCCO1 AC182609 [1,1,0,0,0,0|1,1,0]=4 50 B8R1.4 NC1CCCC(O)C1 AC310112 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.5 C[C@@H]1CCNC[C@@H]1O LN00001944 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.5 C[C@@H]1CCNC[C@H]1O LN00001670 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.5 N[C@@H]1CCCC[C@H]1O AC182207 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.5 N[C@H]1CCCC[C@@H]1O AC130140 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.13 O[C@H]1CC[C@@H](CC1)C(O)=O AC021053 [0,2,0,0,0,0|2,0,0]=4 56 B10R1.119 O[C@@H]1COC(O)[C@@H](O)[C@@H]1O AC511451 [0,2,0,0,0,0|1,1,0]=4 57 B6R1.2 BrC1CCOC1 AC190141 [1,0,0,0,1,0|1,1,0]=4 58 B6R1.2 C1CNCC1F LN00001937 [1,0,0,0,1,0|2,0,0]=4 59 B6R1.2 C1CNC[C@@H]1O LN00165601 [1,0,0,0,1,0|1,0,0]=3 60 B6R1.2 C1COCC1I LN00003379 [1,0,0,0,1,0|1,1,0]=4 61 B6R1.2 C1COC[C@H]1O LN00007278 [1,0,0,0,1,0|0,1,0]=3 62 B6R1.2 C1CSCC1=O LN00009539 [1,0,0,0,1,0|0,0,2]=4 63 B6R1.2 CC1CCNC1 LN00002080 [1,0,0,0,1,0|2,0,0]=4 64 B6R1.2 C[C@@H]1CCCN1 AC200009 [1,0,0,0,1,0|2,0,0]=4 65 B6R1.2 ClC1CCOC1 AC220018 [1,0,0,0,1,0|1,1,0]=4 66 B6R1.2 F[C@@H]1CCNC1 AC511015 [1,0,0,0,1,0|2,0,0]=4 67 B6R1.2 F[C@H]1CCNC1 AC511044 [1,0,0,0,1,0|2,0,0]=4 68 B6R1.2 IC1CCOC1 AC220019 [1,0,0,0,1,0|1,1,0]=4 69 B6R1.2 NC1CCNC1 AC220157 [1,0,0,0,1,0|2,0,0]=4 70 B6R1.2 NC1CCOC1 AC220015 [1,0,0,0,1,0|1,1,0]=4 71 B6R1.2 OC1CC=CC1 AC181108 [1,0,0,0,1,0|1,0,1]=4 72 B6R1.2 OC1CCCC1 AC190215 [1,0,0,0,1,0|1,0,0]=3 73 B6R1.2 OC1CCNC1 AC181524 [1,0,0,0,1,0|1,0,0]=3 74 B6R1.2 OC1CCOC1 AC021063 [1,0,0,0,1,0|0,1,0]=3 75 B6R1.2 O[C@@H]1CCOC1 AC180598 [1,0,0,0,1,0|0,1,0]=3 76 B6R1.2 O[C@H]1CCNC1 AC021101 [1,0,0,0,1,0|1,0,0]=3 77 B6R1.2 O[C@H]1CCNC1 AC510620 [1,0,0,0,1,0|1,0,0]=3 78 B6R1.2 O[C@H]1CCOC1 AC180577 [1,0,0,0,1,0|0,1,0]=3 79 B6R1.5 NC1CC(O)C1 AC182699 [0,0,0,0,2,0|1,0,0]=3 80 B6R1.5 OC1CC(F)C1 AC010459 [0,0,0,0,2,0|1,0,0]=3