0 B7R0.3 CCCCC(=O)NN BC211453 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.3 COC(=O)\C=C\CBr BC203932 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 COCCC(=O)OC BC210937 [0,0,0,0,0,0|0,1,0]=1 3 B6R0.1 CCOC(=O)C#C BC219557 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 CCOC(=O)C=O BC222485 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CCOC(=O)CBr BC206664 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CCOC(=O)CN BC676695 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CCOC(=O)NO BC202244 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 COC(=O)CCS BC219495 [1,0,0,0,0,0|0,0,0]=1 9 B6R0.4 C(CC(=O)O)C#N BC670380 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.4 C(CC(=O)O)CBr BC219750 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 C(CC(=O)O)CN BC204189 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 C=CCCC(=O)O BC678220 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CC(=O)OCC=C BC219433 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CC(=O)OCCBr BC677702 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.1 CCOC(=O)CCCN BC200163 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.1 CCOCC(=O)OCC BC224632 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.3 COC(=O)C(CCBr)Br BC243321 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.3 COC(=O)[C@@H](CCCl)N BC222662 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.3 COCC(C(=O)OC)N BC654794 [0,1,0,0,0,0|0,1,0]=2 20 B8R0.6 CCCCOC(=O)C=O BC202578 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.6 COC(=O)COCCCl BC214305 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.19 CCC(=O)CC(=O)OC BC651002 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.19 COC(=O)CC(=O)CCl BC218922 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.19 COC(=O)C[C@@H](CBr)O BC201655 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.3 C1CC(=O)CCC1=O BC207860 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.3 C1CC(=O)NCC1=O BC677922 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.3 C1CC(=O)NC[C@@H]1O BC659466 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.3 CC1CCC(=O)CC1 BC219613 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.3 CN1CCC(=O)CC1 BC205734 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.5 C1CCC(=O)C(=O)C1 BC680226 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.5 C1CCC(=O)C(C1)Br BC221238 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.5 C1CCN(C(=O)C1)N BC682035 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.5 C1COCC(C1=O)O BC600171 [0,0,0,1,0,0|2,1,0]=4 34 B8R1.5 CC1CNCCC1=O BC219286 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.22 C1CC(=O)CCNC1 BC220436 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.22 C1CCCC(=O)CC1 BC219858 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.22 C1CNCCNC1=O BC270533 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.38 COC(=O)C1CNC1 BC678556 [0,0,0,1,0,0|1,0,0]=2 39 B5R0.1 C(CN)C(=O)O BC219368 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.1 C(CS)C(=O)O BC226809 [2,0,0,0,0,0|0,0,0]=2 41 B5R0.1 CCCC(=[NH2+])N BC202602 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 CCOC(=O)Cl BC222115 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 CSCC(=N)N BC223707 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 C\C=C\C(=O)O BC206359 [2,0,0,0,0,0|0,0,2]=4 45 B5R0.2 C(CC=O)C=O BC222879 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.2 CNCCNC BC686207 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.2 COCCC#N BC202023 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 COC(=O)C=C BC222749 [2,0,0,0,0,0|0,0,2]=4 49 B5R0.3 COC(=O)C=O BC202567 [2,0,0,0,0,0|0,1,1]=4 50 B5R0.3 COC(=O)CN BC215108 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.3 COC(=O)OC BC205807 [2,0,0,0,0,0|0,1,0]=3 52 B7R0.2 COC(=O)CC(=O)Cl BC202267 [1,1,0,0,0,0|0,1,1]=4 53 B7R0.2 C[C@@H](CC(=O)OC)O BC228164 [1,1,0,0,0,0|0,0,0]=2 54 B7R0.5 CCOC(=O)C(=O)C BC676704 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.5 CCOC(=O)C(C)F BC221922 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.5 CCOC(=O)[C@H](C)O BC678545 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.7 C(CBr)C(=O)CCBr BC224430 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.7 C(CCl)C(=O)CCCl BC224353 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.7 CCCC(=O)OCCl BC203403 [1,1,0,0,0,0|0,0,0]=2 60 B7R0.7 CCOC(=C)OCC BC669056 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.7 CCOC(=O)CC=O BC222385 [1,1,0,0,0,0|0,1,1]=4 62 B7R0.7 CCOC(=O)CNN BC205934 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.7 CCOC(=O)C[N+]#[C-] BC227203 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.7 CCOC(=O)OCCl BC213797 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.10 COC(=O)C(=O)CBr BC208895 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.10 COC(=O)C(=O)OC BC211734 [1,1,0,0,0,0|0,1,1]=4 67 B7R0.10 COC(=O)C(CBr)Br BC676677 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.10 COC(=O)[C@@H](CO)N BC215129 [1,1,0,0,0,0|0,1,0]=3 69 B7R0.11 C(CS(=O)(=O)O[Na])S BC204054 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.4 C(CCBr)CC(=O)O BC220689 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.6 CC(=O)CCC(=O)C BC676318 [1,1,0,0,0,0|1,0,0]=3 74 B7R0.6 CC(=O)CCC(=O)O BC216409 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.6 CC(=O)CNC(=O)C BC220001 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.6 C[S+](C)CCC(=O)O BC215874 [1,1,0,0,0,0|0,0,1]=3 77 B9R0.5 CCOC(=O)CCCCN BC256319 [0,2,0,0,0,0|1,0,0]=3 78 B9R0.8 COC(=O)C(CCCBr)Br BC676316 [0,2,0,0,0,0|1,0,0]=3 79 B9R0.34 CCC(=O)CC(=O)OCC BC222577 [0,2,0,0,0,0|1,0,1]=4 80 B9R0.34 CCOC(=O)CC(=O)NC BC209285 [0,2,0,0,0,0|1,0,1]=4 81 B9R0.34 CCOC(=O)C[C@@H](CI)O BC219633 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.34 CCOC(=O)C[C@H](CCl)O BC202107 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.34 COCC(=O)CC(=O)OC BC201350 [0,2,0,0,0,0|0,1,0]=3 84 B9R0.35 CCOC(C(=O)OCC)Cl BC685086 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.48 CCOC(=O)CNC(=O)C BC215107 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.27 CCC(=O)C(C(=O)OC)F BC213668 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.27 COC(=O)C(C(=O)OC)F BC220966 [0,2,0,0,0,0|0,1,1]=4 88 B9R0.1 COC(=O)CCCC(=O)Cl BC220631 [0,2,0,0,0,0|1,0,1]=4 89 B9R0.42 COC(=O)CC(C(=O)O)N BC215082 [0,2,0,0,0,0|2,0,0]=4 90 B9R0.42 COC(=O)C[C@H](C(=O)O)N BC204898 [0,2,0,0,0,0|2,0,0]=4 91 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [1,0,0,1,0,0|1,1,0]=4 92 B7R1.2 C1[C@H](CNC1=O)O BC676893 [1,0,0,1,0,0|1,1,0]=4 93 B7R1.3 C1CC(=O)CNC1 BC677163 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.3 C1CCC(=O)CC1 BC214118 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.3 C1CNC(=O)CN1 BC204568 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.3 C1CNCCC1=O BC222569 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 C1COC(=O)CO1 BC683885 [1,0,0,1,0,0|0,1,0]=3 98 B7R1.3 C1COC(=O)OC1 BC201342 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.3 C1COCCC1=O BC210699 [1,0,0,1,0,0|1,1,0]=4 100 B7R1.4 CC1CCNC1=O BC676006 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.4 CN1CCCC1=O BC675578 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.4 CN1CCNC1=O BC207797 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.18 C1C(CN1)C(=O)O BC202058 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.18 C1C(CN1)C(=O)O BC225187 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.18 C1CN[C@@H]1C(=O)O BC201996 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.18 C1COC1C(=O)O BC653175 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.20 C1CC1CC(=O)O BC205620 [1,0,0,1,0,0|1,0,0]=3 108 B9R1.49 CN1CCC(=O)NCC1 BC220706 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.50 C1CCCC(=O)CCC1 BC226157 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.50 C1CCCNC(=O)CC1 BC677015 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.69 CC1CN(CCC1=O)C BC208022 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.73 CCOC(=O)C1CNC1 BC688070 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.11 COC(=O)C1CC=CC1 BC222628 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.11 COC(=O)C1CCCO1 BC219007 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.11 COC(=O)C1CCNC1 BC222655 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.186 COC(=O)C1(CCC1)N BC687657 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.1 CCN1CCC(=O)CC1 BC683778 [0,1,0,1,0,0|2,0,0]=4