0 B7R0.7 C(CBr)C(=O)CCBr BC224430 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.7 C(CCl)C(=O)CCCl BC224353 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 CCCC(=O)OCCl BC203403 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.7 CCOC(=C)OCC BC669056 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.7 CCOC(=O)CC=O BC222385 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.7 CCOC(=O)CNN BC205934 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.7 CCOC(=O)C[N+]#[C-] BC227203 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.7 CCOC(=O)OCCl BC213797 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.7 CN(CCCl)CCCl BC214982 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.1 C(C(=O)NCO)Cl BC214951 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CCOC(=O)C#C BC219557 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.1 CCOC(=O)C=O BC222485 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCOC(=O)CBr BC206664 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CCOC(=O)CN BC676695 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CCOC(=O)NO BC202244 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 COC(=O)CCS BC219495 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.6 C(CCO)CCCl BC220627 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 C(CCl)NCCCl BC209656 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 C(COCCN)N BC251291 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 C(COCCN)N BC635075 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 CCCCCCS BC231905 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.6 CCCNCCC BC219597 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.6 CCCSSSC BC218808 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 CCC\C=C\C=O BC231929 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.1 CCOC(=O)CCCN BC200163 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.1 CCOC(=O)\C=C\CBr BC203933 [0,1,0,0,0,0|1,0,2]=4 26 B8R0.1 CCOCC(=O)OCC BC224632 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.3 CCOC(=O)C(=O)CBr BC219415 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.3 CCOC(=O)C(C#N)N BC652474 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.3 CCOC(=O)C(CO)N BC689092 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.5 CC(C)OC(=O)OCCl BC201072 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.5 CCOC(=O)C=C(C)C BC201331 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.5 CCOC(=O)CC(=O)C BC202411 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.5 CCOC(=O)CC(=O)[O-] BC225996 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.5 CCOC(=O)CC(C)O BC219465 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.5 CCOC(=O)C[N+](=O)[O-] BC206204 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.5 CCOC(=O)OC(C)I BC215870 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.5 CCOC(=O)\C=C(/C)\N BC204111 [0,1,0,0,0,0|1,0,2]=4 38 B8R1.4 C1CC(CC(C1)O)N BC677022 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.4 C1CNC(=O)CC1N BC678826 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.4 C1CNC(=O)CC1O BC678827 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.4 CN1CCCC(C1)O BC219296 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.4 C[C@H]1CCC[C@@H](N1)C BC219288 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.8 C1CCN(C1)CCBr BC211337 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.8 C1CCN(C1)CCBr BC211338 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.8 C1CCN(C1)CCCl BC211336 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.8 C1CCN(C1)CCO BC214742 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.11 C1CC(C(=O)C1)C#N BC675967 [0,0,0,1,0,0|1,0,1]=3 48 B8R1.11 CCN1CCCC1=O BC215697 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.22 C1CC(=O)CCNC1 BC220436 [0,0,0,1,0,0|1,0,0]=2 50 B8R1.22 C1CCCC(=O)CC1 BC219858 [0,0,0,1,0,0|0,0,0]=1 51 B8R1.22 C1CNCCNC1=O BC270533 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.22 C1COCC(=O)CO1 BC686130 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.22 CN1CCCNCC1 BC214994 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.37 CCOC(=O)C1CC1 BC207703 [0,0,0,1,0,0|1,0,0]=2 55 B5R0.1 C(CN)C(=O)O BC219368 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 C(CS)C(=O)O BC226809 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CCCC(=[NH2+])N BC202602 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 CCOC(=O)Cl BC222115 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.2 C(CCBr)CBr BC201066 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.2 C(CCO)CN BC205259 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 CCOCCCl BC214993 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 CNCCNC BC686207 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.3 C(C(=O)CO)O BC200545 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.3 COC(=O)CN BC215108 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.3 COC(=O)OC BC205807 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.2 CCC(C)CC(C)C BC677965 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.2 C[C@@H](CC(=O)OC)O BC228164 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.3 CCCCC(=O)NN BC211453 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.3 COCCC(=O)OC BC210937 [1,1,0,0,0,0|1,0,0]=3 70 B7R0.5 CCOC(=O)C(=O)C BC676704 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.5 CCOC(=O)C(C)F BC221922 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.5 CCOC(=O)[C@H](C)O BC678545 [1,1,0,0,0,0|1,0,0]=3 73 B7R0.10 COC(=O)C(CBr)Br BC676677 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.10 COC(=O)[C@@H](CO)N BC215129 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.1 C(CCCCl)CCO BC209640 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.1 C(CN)CNCCBr BC216540 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.1 C(CN)CNCCO BC219712 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.1 CCCCOCCO BC675581 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.1 COCCOCCCl BC677095 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.5 CCOC(=O)CCCCN BC256319 [0,2,0,0,0,0|1,0,0]=3 81 B9R0.5 CCO\C=C\C(=O)OCC BC681075 [0,2,0,0,0,0|1,0,1]=4 82 B9R0.18 C(CC(=O)CCCCl)CCl BC210031 [0,2,0,0,0,0|0,0,0]=2 83 B9R0.34 CCC(=O)CC(=O)OCC BC222577 [0,2,0,0,0,0|1,0,0]=3 84 B9R0.34 CCOC(=O)CC(=O)CBr BC202412 [0,2,0,0,0,0|1,0,1]=4 85 B9R0.34 CCOC(=O)CC(=O)CCl BC216385 [0,2,0,0,0,0|1,0,1]=4 86 B9R0.34 CCOC(=O)CC(=O)NC BC209285 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.34 CCOC(=O)C[C@@H](CI)O BC219633 [0,2,0,0,0,0|1,0,0]=3 88 B9R0.34 CCOC(=O)C[C@H](CCl)O BC202107 [0,2,0,0,0,0|1,0,0]=3 89 B9R0.34 COCC(=O)CC(=O)OC BC201350 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.35 CCOC(=O)C(=O)OCC BC210751 [0,2,0,0,0,0|1,0,1]=4 91 B9R0.35 CCOC(C(=O)OCC)Cl BC685086 [0,2,0,0,0,0|1,0,0]=3 92 B9R0.48 CCOC(=O)CNC(=O)C BC215107 [0,2,0,0,0,0|1,0,1]=4 93 B9R0.37 CCC(C#N)C(=O)OCC BC683114 [0,2,0,0,0,0|1,0,0]=3 94 B9R0.53 CC(C)OC(=O)OC(C)Cl BC213794 [0,2,0,0,0,0|2,0,0]=4 95 B9R0.53 CC(C)OC(=O)OC(C)I BC215868 [0,2,0,0,0,0|2,0,0]=4 96 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.2 C1[C@H](CNC1=O)O BC676893 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.2 CC1=CC(=O)CC1 BC243785 [1,0,0,1,0,0|0,0,2]=4 99 B7R1.3 C1CC(=O)CNC1 BC677163 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.3 C1CCC(=O)CC1 BC214118 [1,0,0,1,0,0|0,0,0]=2 101 B7R1.3 C1CCC(CC1)N BC206665 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.3 C1CNC(=O)CN1 BC204568 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.3 C1CNCCC1=O BC222569 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.3 C1COC(=O)CO1 BC683885 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.3 C1COC(=O)OC1 BC201342 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 C1COCCC1=O BC210699 [1,0,0,1,0,0|1,0,0]=3 107 B7R1.4 C1COC(=O)[C@@H]1N BC679085 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.4 CC1CCNC1=O BC676006 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.4 CN1CCCC1=O BC675578 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.4 CN1CCNC1=O BC207797 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.24 C1CNCCNC1 BC220404 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.2 CN1CCCC(C1)CN BC201853 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.8 C1CCC(=CC1)CCN BC209653 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.12 C1CCN(C1)CCCBr BC211334 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.12 C1CCN(C1)CCCCl BC211331 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.12 C1CCN(C1)CCCCl BC211332 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.12 C1CCN(C1)CCCO BC211356 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.33 C1CN(C(=O)N1)CCCl BC211807 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.33 CN1CCCC1CCCl BC209929 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.49 CN1CCC(=O)NCC1 BC220706 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.50 C1CCCC(=O)CCC1 BC226157 [0,1,0,1,0,0|0,0,0]=2 122 B9R1.50 C1CCCNC(=O)CC1 BC677015 [0,1,0,1,0,0|0,0,0]=2 123 B9R1.73 CCOC(=O)C1CNC1 BC688070 [0,1,0,1,0,0|1,0,0]=3 124 B9R2.68 B1C2CCCC1CC2 BC650627 [0,0,0,2,0,0|1,0,1]=4 125 B9R2.87 C1CC1C(C2CC2)N BC205631 [0,0,0,2,0,0|1,0,1]=4