0 B6R0.6 C(CCO)CCCl BC220627 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.6 C(CCl)NCCCl BC209656 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C(COCCN)N BC251291 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C(COCCN)N BC635075 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 CCCCCCS BC231905 [0,0,0,0,0,0|0,1,2]=3 5 B6R0.6 CCCNCCC BC219597 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 CCCSSSC BC218808 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.6 CCC\C=C\C=O BC231929 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 C#CCCCO BC210688 [1,0,0,0,0,0|0,0,3]=4 9 B5R0.2 C(CCBr)CBr BC201066 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 C(CCO)CN BC205259 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.2 C(CCl)OCCl BC677515 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.2 C(\C=C\CCl)Cl BC225131 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.2 C=CCCCBr BC202057 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.2 CCOCCCl BC214993 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.1 C(CCCCl)CCO BC209640 [0,1,0,0,0,0|0,0,2]=3 16 B7R0.1 C(CN)CNCCBr BC216540 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.1 C(CN)CNCCO BC219712 [0,1,0,0,0,0|1,0,1]=3 18 B7R0.1 C(CSSCCN)N BC201501 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.1 CCCCOCCO BC675581 [0,1,0,0,0,0|0,0,2]=3 20 B7R0.1 CC\C=C\C=C\C=O BC218794 [0,1,0,0,0,0|0,0,3]=4 21 B7R0.1 COCCOCCCl BC677095 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.3 C=CC(=O)OCCO BC222742 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.3 COC(=O)\C=C\CBr BC203932 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.3 C[C@@H](CO)OCOC BC653002 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.3 C[C@H](CO)OCOC BC207047 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.7 C(CBr)C(=O)CCBr BC224430 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.7 C(CCl)C(=O)CCCl BC224353 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.7 CCCC(=O)OCCl BC203403 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.7 CCOC(=C)OCC BC669056 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.7 CCOC(=O)CC=O BC222385 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.7 CCOC(=O)CNN BC205934 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.7 CCOC(=O)C[N+]#[C-] BC227203 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.7 CCOC(=O)OCCl BC213797 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.1 C1C=CCC1CO BC202822 [0,0,0,1,0,0|0,0,2]=3 35 B7R1.1 C1CC(NC1)CN BC683593 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.1 C1CC(NC1)CO BC683595 [0,0,0,1,0,0|1,0,1]=3 37 B7R1.1 C1CC(OC1)CO BC203371 [0,0,0,1,0,0|1,0,1]=3 38 B7R1.1 C1CNCC1CN BC223460 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.1 CCc1cccs1 BC210545 [0,0,0,1,0,0|0,1,2]=4 40 B7R1.1 c1c[nH]nc1CO BC657829 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.3 C1C=COCC1=O BC245013 [0,0,0,1,0,0|1,0,2]=4 42 B7R1.3 C1CC(CNC1)N BC205656 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 C1CC(CNC1)N BC226535 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.3 C1CC(COC1)O BC666036 [0,0,0,1,0,0|1,0,1]=3 45 B7R1.3 C1CCC(CC1)N BC206665 [0,0,0,1,0,0|1,0,2]=4 46 B7R1.3 C1CCNC(C1)O BC219297 [0,0,0,1,0,0|1,0,2]=4 47 B7R1.3 C1CNCCC1F BC248008 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.3 C1CNCCC1N BC205815 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.3 C1CNCCC1N BC219304 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.3 C1CNCCC1O BC274718 [0,0,0,1,0,0|1,0,1]=3 51 B7R1.3 C1COCCC1N BC653013 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.3 C1COCCC1N BC678841 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.3 C1COCCC1N BC681680 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.3 C1COCCC1O BC653702 [0,0,0,1,0,0|1,0,1]=3 55 B7R1.3 C1C[C@@H](CNC1)O BC208981 [0,0,0,1,0,0|1,0,1]=3 56 B7R1.3 C1C[C@H](CNC1)N BC209976 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.3 C1C[C@H](CNC1)O BC679086 [0,0,0,1,0,0|1,0,1]=3 58 B7R1.3 CC1CCCCN1 BC200305 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.3 CC1CCNCC1 BC208968 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.3 CC1COCCN1 BC678917 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.3 C[C@@H]1COCCN1 BC239042 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.3 C[C@@H]1COCCN1 BC640295 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.3 C[C@H]1CCCCN1 BC209006 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.3 C[C@H]1CCCNC1 BC208984 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.3 C[C@H]1CNCCN1 BC200168 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.4 C1C[C@H]([C@@H](C1)O)N BC210746 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.6 C1CN(C1)CCCl BC679919 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.24 C1CNCCNC1 BC220404 [0,0,0,1,0,0|2,0,1]=4 69 B4R0.2 C#CCCO BC208885 [2,0,0,0,0,0|0,0,2]=4 70 B4R0.2 C(CF)CBr BC676334 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.2 C(CN)CBr BC209330 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.2 C(CN)CCl BC200221 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.2 C(CO)C#N BC676633 [2,0,0,0,0,0|1,0,1]=4 74 B4R0.2 C(CO)CBr BC209634 [2,0,0,0,0,0|1,0,0]=3 75 B4R0.2 C(CO)CO BC206060 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.2 CCCC#N BC207705 [2,0,0,0,0,0|1,0,1]=4 77 B4R0.2 CCOC=C BC208832 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.2 CC[NH2+]CC BC620750 [2,0,0,0,0,0|1,0,0]=3 79 B4R0.2 C\C=C\CN BC220709 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.1 C(C(=O)NCO)Cl BC214951 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.1 C(CO)[C@@H](CO)O BC206874 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.1 CCOC(=O)CBr BC206664 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.1 CCOC(=O)CN BC676695 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.1 CCOC(=O)NO BC202244 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.1 COC(=O)CCS BC219495 [1,1,0,0,0,0|1,1,0]=4 86 B6R0.1 COC[C@H](CO)N BC206377 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.4 C(\C=C\C(=O)O)O BC224091 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.4 CC(=O)OCCBr BC677702 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.4 CC(C)CCCBr BC219799 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.4 CN(C)CCCO BC210758 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.1 CCOC(=O)CCCN BC200163 [0,2,0,0,0,0|1,0,1]=4 92 B8R0.1 CCOC(=O)\C=C\CBr BC203933 [0,2,0,0,0,0|1,0,1]=4 93 B8R0.1 CCOCC(=O)OCC BC224632 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.4 C(CNCCCO)CO BC220973 [0,2,0,0,0,0|0,0,2]=4 95 B8R0.6 C\C(=C/CCC=C)\CO BC218466 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.7 CN(C)CCOCCO BC219701 [0,2,0,0,0,0|1,0,1]=4 97 B8R0.3 CCOC(=O)C(CO)N BC689092 [0,2,0,0,0,0|1,0,0]=3 98 B8R0.8 CC(=C)C(=O)NCCO BC669167 [0,2,0,0,0,0|1,0,1]=4 99 B8R0.5 CCOC(=O)CC(C)O BC219465 [0,2,0,0,0,0|1,0,0]=3 100 B6R1.1 C1CC=CC=C1 BC207599 [1,0,0,1,0,0|0,0,2]=4 101 B6R1.1 C1CC=COC1 BC208296 [1,0,0,1,0,0|1,0,0]=3 102 B6R1.1 C1COCCN1 BC630685 [1,0,0,1,0,0|1,0,0]=3 103 B6R1.2 C1C=CC(=O)O1 BC201413 [1,0,0,1,0,0|1,0,1]=4 104 B6R1.2 C1C=CCC1O BC649956 [1,0,0,1,0,0|0,0,0]=2 105 B6R1.2 C1CC(=O)C=C1 BC652225 [1,0,0,1,0,0|0,0,2]=4 106 B6R1.2 C1CCC(C1)Cl BC221902 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.2 C1CNCC1O BC208993 [1,0,0,1,0,0|1,0,0]=3 108 B6R1.2 C1CNC[C@@H]1O BC677867 [1,0,0,1,0,0|1,0,0]=3 109 B6R1.2 C1CNC[C@@H]1O BC678742 [1,0,0,1,0,0|1,0,0]=3 110 B6R1.2 C1CNC[C@H]1O BC201989 [1,0,0,1,0,0|1,0,0]=3 111 B6R1.2 C1CNC[C@H]1O BC677872 [1,0,0,1,0,0|1,0,0]=3 112 B6R1.2 C1COCC1O BC201032 [1,0,0,1,0,0|1,0,0]=3 113 B6R1.2 C1COC[C@@H]1N BC675401 [1,0,0,1,0,0|2,0,0]=4 114 B6R1.2 C1COC[C@@H]1O BC678095 [1,0,0,1,0,0|1,0,0]=3 115 B6R1.2 C1COC[C@H]1N BC213397 [1,0,0,1,0,0|2,0,0]=4 116 B6R1.2 C1COC[C@H]1O BC206872 [1,0,0,1,0,0|1,0,0]=3 117 B6R1.2 C1COC[C@H]1O BC623081 [1,0,0,1,0,0|1,0,0]=3 118 B6R1.2 CC1CCCN1 BC208988 [1,0,0,1,0,0|1,0,1]=4 119 B6R1.2 CC1CCCO1 BC205640 [1,0,0,1,0,0|0,0,1]=3 120 B6R1.2 C[C@@H]1CCCN1 BC677871 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.2 C[C@H]1CCCN1 BC208991 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.2 Cc1ccno1 BC226936 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.3 C1CN1CCN BC678925 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.6 C1CC(C1)CO BC220546 [1,0,0,1,0,0|0,0,1]=3 125 B8R1.2 C1CC(CNC1)CO BC202762 [0,1,0,1,0,0|0,0,2]=4 126 B8R1.2 C1COC(CN1)CO BC202830 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.2 C1COCCC1CO BC650897 [0,1,0,1,0,0|0,0,2]=4 128 B8R1.2 C1COC[C@@H](N1)CO BC202773 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.5 CC1CCCCC1O BC219008 [0,1,0,1,0,0|0,0,2]=4 130 B8R1.8 C1CCN(C1)CCO BC214742 [0,1,0,1,0,0|0,0,2]=4 131 B8R1.8 C1CNCC1CCO BC683601 [0,1,0,1,0,0|0,0,2]=4 132 B8R1.8 C1COC(O1)CCBr BC202029 [0,1,0,1,0,0|1,0,1]=4 133 B8R1.8 c1c(nc[nH]1)CCO BC678874 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.11 CCN1CCCC1=O BC215697 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.11 C[C@H]1CNC[C@@H]1CO BC244806 [0,1,0,1,0,0|0,0,2]=4 136 B8R1.11 Cn1c(ccn1)CO BC683092 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.22 C1CC(=O)CCNC1 BC220436 [0,1,0,1,0,0|1,0,1]=4 138 B8R1.22 C1CCCC(=O)CC1 BC219858 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.22 C1CNCCNC1=O BC270533 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.49 C1\C=C/CC\C=C/C1 BC213286 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.49 C1\C=C/CC\C=C/C1 BC213308 [0,1,0,1,0,0|1,0,0]=3 142 B8R1.49 C1\C=C/CC\C=C/C1 BC213309 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.49 C1\C=C/CC\C=C/C1 BC213317 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.1 C1=CC(=O)O[C@H]1CO BC219787 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.1 C1CC(=O)N[C@H]1CO BC676884 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.1 Cn1ccc(n1)CO BC262388 [0,1,0,1,0,0|1,0,1]=4 147 B8R1.3 C1CC(=O)NC[C@@H]1O BC659466 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.3 C1[C@@H](CC[C@H](C1)O)N BC207753 [0,1,0,1,0,0|0,0,2]=4 149 B8R1.3 C1[C@@H](CC[C@H](C1)O)N BC684348 [0,1,0,1,0,0|0,0,2]=4 150 B8R1.3 CC1CCC(=O)CC1 BC219613 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.3 CN1CCC(CC1)O BC205735 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.4 C1CC(CC(C1)O)N BC677022 [0,1,0,1,0,0|0,0,2]=4 153 B8R1.4 C1CNC(=O)CC1N BC678826 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.4 C1CNC(=O)CC1O BC678827 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.4 CN1CCCC(C1)O BC219296 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.4 C[C@@H]1CNC[C@@H](O1)C BC221888 [0,1,0,1,0,0|1,0,1]=4 157 B8R1.7 C1C=C[C@H](N1)C(=O)O BC676801 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.72 C1CNCCC1(O)O BC205744 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.18 CC1=CC(=O)OC1O BC213808 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.37 CCOC(=O)C1CC1 BC207703 [0,1,0,1,0,0|2,0,0]=4 161 B8R2.25 C1CCC2C(C1)O2 BC211222 [0,0,0,2,0,0|0,0,2]=4