0 B7R0.11 CC(C)(CO)CCO W16131 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.11 CCC(C)(C)CCCl F50555 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.11 CCCC(C)(C)C#N T70545 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.11 COCC(C)(C)CO BL000418 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.5 C#CCC(C)(C)O 77946 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.5 C=CCC(C)(C)C T71314 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.5 C=CC[N+](C)(C)C AC2497 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.5 CC(C)(C)C=NO AR2360 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.5 CC(C)(C)CCI D86336 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.5 CC(C)(F)CCN W17442 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.5 CC(C)(O)CCN A51232 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.5 CC(C)(O)CON AC7988 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.5 CNCC(C)(C)F 85781 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.5 C[Si](C)(C)CCS 74594 [1,0,0,0,0,0|2,1,0]=4 14 B6R0.8 C#CC(C)(C)CO 20986 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.8 CC(C)(C=O)CCl C90225 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.8 COC(C)(C)CBr 71702 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.72 CC1(C)CNCCO1 20348 [0,0,0,1,0,0|0,0,2]=3 20 B8R1.82 COC1(CCN)CC1 P18937 [0,0,0,1,0,0|2,0,0]=3 21 B5R0.1 C=CC[C@H](C)O 71459 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.1 C=CC[C@H](C)O A12634 [2,0,0,0,0,0|1,0,1]=4 23 B5R0.1 CNC[C@H](C)O AC1157 [2,0,0,0,0,0|0,0,2]=4 24 B5R0.1 CNC[C@H](C)O N12528 [2,0,0,0,0,0|0,0,2]=4 25 B5R0.1 C[C@H](O)CC#N 87623 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.1 C[C@H](O)CCN 83616 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.1 C[C@H](O)CON O10313 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.2 COCCCO D77912 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.3 CC[C@H](C)CN 88665 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.3 CN[C@@H](C)CO AC8719 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.3 CN[C@@H](C)CO C77593 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.3 CN[C@@H](C)CO D80042 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.3 CN[C@@H](C)CO D80344 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.3 CN[C@@H](C)CO D82586 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 CO[C@@H](C)CN 91001 [2,0,0,0,0,0|0,0,1]=3 36 B5R0.3 CO[C@@H](C)CO 91002 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.4 CC(C)(Br)CN 55595 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.4 CC(C)(C)NO 77598 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.4 CC(C)(Cl)CCl H11156 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.4 CC(C)(F)CBr 29918 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.4 CC(C)(F)CO P17817 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.4 CC(C)(O)CBr A11164 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.4 C[Si](C)(C)ON 77601 [2,0,0,0,0,0|1,1,0]=4 44 B7R0.2 COC(C)CC(C)O 78061 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.8 CC(C)(O)CCCN 31824 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.8 CC(C)(O)CCCO AB7595 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.9 CC(C)(C)CB(O)O C10943 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.14 CC(C)(C)[C@@H](N)CO 39285 [1,1,0,0,0,0|2,0,0]=4 49 B7R0.14 CC(C)(C)[C@H](N)C#N D79356 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.14 CC(C)(O)[C@@H](F)CN 89812 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.14 CC(C)(O)[C@@H](F)CN P18828 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.13 CC(=O)C(C)(C)CO Y13534 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.13 COC(C)(C)C(N)=O Y13489 [1,1,0,0,0,0|0,0,2]=4 54 B7R0.18 COC(C)(CN)OC A10525 [1,1,0,0,0,0|0,0,1]=3 55 B9R0.60 C=CCC(C)(C)C(=O)OC 87418 [0,2,0,0,0,0|1,0,1]=4 56 B9R0.62 COCC(OC)(OC)OC C90458 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.30 COC(C)(C)CC(C)(C)C D93019 [0,2,0,0,0,0|1,0,1]=4 58 B7R1.1 CO[C@H]1CCNC1 26935 [1,0,0,1,0,0|0,0,2]=4 59 B7R1.1 CO[C@H]1CCNC1 P10862 [1,0,0,1,0,0|0,0,2]=4 60 B7R1.3 C[C@H]1CNCCO1 24564 [1,0,0,1,0,0|0,0,2]=4 61 B7R1.3 C[C@H]1CNCCO1 27729 [1,0,0,1,0,0|0,0,2]=4 62 B7R1.3 C[C@H]1CNCCO1 F13460 [1,0,0,1,0,0|0,0,2]=4 63 B7R1.3 C[C@H]1CNCCO1 P11013 [1,0,0,1,0,0|0,0,2]=4 64 B7R1.6 CNC[C@H]1CCO1 D96714 [1,0,0,1,0,0|0,0,2]=4 65 B7R1.6 OCC[C@H]1CCO1 P17680 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.10 COC1CC(=O)C1 P12741 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.10 COC1CC(N)C1 37221 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.10 COC1CC(O)C1 R10063 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.14 CC1(C)CCNC1 28371 [1,0,0,1,0,0|0,0,2]=4 72 B7R1.14 C[C@]1(O)CCNC1 D96498 [1,0,0,1,0,0|0,0,2]=4 73 B7R1.14 C[C@]1(O)CCOC1 69114 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.16 CC1(C)CC(=O)C1 P13045 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.16 CC1(C)CC(N)C1 P15356 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.16 CC1(C)CC(O)C1 P16551 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.16 C[C@]1(O)C[C@@H](N)C1 38620 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.26 CC(C)(O)C1CC1 78550 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.29 CCC1(CN)CC1 W19007 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.29 COC1(CO)CC1 92149 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.118 COC1(C)CCNCC1 72328 [0,1,0,1,0,0|0,0,2]=4 83 B9R1.133 CC1(C)C[C@H](CN)CO1 P18822 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.133 CC1(C)OC[C@@H](C=O)O1 30986 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.133 CC1(C)OC[C@H](CBr)O1 RB3372 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.133 CC1(C)OC[C@H](CI)O1 O10179 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.133 CC1(C)OC[C@H](CN)O1 C14057 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.133 CC1(C)OC[C@H](CN)O1 D75607 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.66 CC1(C)C[C@@H](O)CCO1 86677 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.134 CC1(CCN)OCCO1 53392 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.134 CNCC1(C)OCCO1 W15942 [0,1,0,1,0,0|0,0,2]=4 92 B9R1.146 CC1(C)COC(C)(C)C1 D93046 [0,1,0,1,0,0|1,0,1]=4 93 B9R2.173 C1CC2(CCO2)CN1 39215 [0,0,0,2,0,0|0,0,2]=4 94 B9R2.173 C1C[C@@]2(CCO2)CN1 32848 [0,0,0,2,0,0|0,0,2]=4 95 B9R2.174 C1COC2(CC2)CN1 80461 [0,0,0,2,0,0|0,0,2]=4