0 B5R0.3 C#CC(C#C)O BC655793 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C(C(=O)CO)O BC200545 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.3 C(C(C#N)Br)Br BC650334 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 C(C(CCl)O)O BC204241 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.3 C(C(CN)O)N BC203604 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 C(C(CO)O)N BC204240 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.3 C(C(CS)O)O BC222900 [0,0,0,0,0,0|0,1,0]=1 7 B5R0.3 C([C@@H](CO)O)N BC206909 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.3 C([C@@H](CO)O)N BC650721 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.3 CCC(CO)N BC203737 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 C(C(=O)O)Br BC651357 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 C(C(=O)O)N BC204500 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 CC(=O)CBr BC253377 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CC(=O)CN BC220002 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 CC(C#C)O BC220409 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CC[C@@H](C)N BC678458 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 C[C@@H](CN)N BC200223 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 C[C@@H](CO)N BC678138 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 C[C@H](CN)N BC202234 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 C[C@H](CN)O BC203537 [1,0,0,0,0,0|1,0,0]=2 20 B4R0.2 C#CCCO BC208885 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.2 C(CF)CBr BC676334 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 C(CN)CBr BC209330 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.2 C(CN)CCl BC200221 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 C(CO)C#N BC676633 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.2 C(CO)CBr BC209634 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.2 C(CO)CO BC206060 [1,0,0,0,0,0|0,0,0]=1 27 B4R0.2 CCCC#N BC207705 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 CC[NH2+]CC BC620750 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.1 C(C#N)[C@@H](CCl)O BC219650 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.1 C(C(=O)NCO)Cl BC214951 [0,1,0,0,0,0|1,0,2]=4 31 B6R0.1 C(CO)[C@@H](CO)O BC206874 [0,1,0,0,0,0|0,0,0]=1 32 B6R0.1 COC[C@H](CO)N BC206377 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.3 C(C(C(=O)O)N)N BC202898 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.3 C(C(C(=O)O)N)O BC205416 [0,1,0,0,0,0|1,0,1]=3 35 B6R0.3 C([C@@H](C(=O)O)N)O BC676679 [0,1,0,0,0,0|1,0,1]=3 36 B6R0.3 C([C@@H](C(=O)O)N)S BC205188 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.3 C([C@@H](C(=O)O)N)S BC679165 [0,1,0,0,0,0|1,1,1]=4 38 B6R0.3 C([C@@H](C(=O)O)O)N BC210645 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.3 C([C@H](C(=O)O)N)O BC676713 [0,1,0,0,0,0|1,0,1]=3 40 B6R0.3 C([C@H](C(=O)O)N)S BC677524 [0,1,0,0,0,0|1,1,1]=4 41 B6R0.3 CC[C@@H](C(=O)O)N BC221729 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 CC[C@H](C(=O)O)N BC681077 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.8 CC(C)(CO)C=O BC224281 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.9 COC(CN)OC BC219770 [0,1,0,0,0,0|3,0,0]=4 45 B6R1.2 C1C=CCC1O BC649956 [0,0,0,1,0,0|2,0,0]=3 46 B6R1.2 C1CCC(C1)Cl BC221902 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.2 C1CNCC1O BC208993 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.2 C1CNC[C@@H]1O BC677867 [0,0,0,1,0,0|2,0,0]=3 49 B6R1.2 C1CNC[C@@H]1O BC678742 [0,0,0,1,0,0|2,0,0]=3 50 B6R1.2 C1CNC[C@H]1O BC201989 [0,0,0,1,0,0|2,0,0]=3 51 B6R1.2 C1CNC[C@H]1O BC677872 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.2 C1COCC1=O BC244549 [0,0,0,1,0,0|1,0,2]=4 53 B6R1.2 C1COCC1O BC201032 [0,0,0,1,0,0|1,0,0]=2 54 B6R1.2 C1COC[C@@H]1N BC675401 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.2 C1COC[C@@H]1O BC678095 [0,0,0,1,0,0|1,0,0]=2 56 B6R1.2 C1COC[C@H]1N BC213397 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.2 C1COC[C@H]1O BC206872 [0,0,0,1,0,0|1,0,0]=2 58 B6R1.2 C1COC[C@H]1O BC623081 [0,0,0,1,0,0|1,0,0]=2 59 B6R1.6 C1CC(C1)CO BC220546 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.7 C1CC1(CO)N BC205795 [0,0,0,1,0,0|2,0,0]=3 61 B6R1.7 C1CC1(CO)N BC256231 [0,0,0,1,0,0|2,0,0]=3 62 B3R0.1 C(CBr)F BC202042 [2,0,0,0,0,0|2,0,0]=4 63 B3R0.1 C(CBr)O BC207410 [2,0,0,0,0,0|1,0,0]=3 64 B3R0.1 C(CCl)N BC209331 [2,0,0,0,0,0|2,0,0]=4 65 B3R0.1 C(CO)N BC202305 [2,0,0,0,0,0|1,0,0]=3 66 B3R0.1 C(CS)N BC214793 [2,0,0,0,0,0|1,1,0]=4 67 B3R0.1 C=CCO BC201967 [2,0,0,0,0,0|0,0,2]=4 68 B3R0.2 CC(=O)O BC253535 [2,0,0,0,0,0|0,0,2]=4 69 B5R0.1 C[C@H](CCO)O BC655806 [1,1,0,0,0,0|0,0,0]=2 70 B5R0.4 C(C(Br)(Br)Br)O BC219046 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.4 C(C(F)(F)F)O BC204597 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.4 CC(C)(C#C)O BC224176 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.4 CC(C)(CBr)F BC214287 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.4 CC(C)(CN)S BC678254 [1,1,0,0,0,0|1,1,0]=4 75 B5R0.4 CC(C)(CO)N BC220996 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.5 CC(C(=O)O)Br BC226871 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.5 C[C@@H](C(=O)O)N BC677968 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.5 C[C@@H](C(=O)O)O BC207702 [1,1,0,0,0,0|0,0,1]=3 79 B5R0.2 C#CCCCO BC210688 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.2 C(CCBr)CBr BC201066 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.2 C(CCO)CN BC205259 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.2 C(CCl)OCCl BC677515 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.2 C=CCCCBr BC202057 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.2 CCOCCCl BC214993 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.2 COCCC#N BC202023 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.2 CC(C)C[C@@H](CO)N BC205071 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.2 CC[C@H](CC(=O)O)N BC227919 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.2 CN(C)CC(CO)O BC226763 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.3 C[C@@H](CO)OCOC BC653002 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.3 C[C@H](CO)OCOC BC207047 [0,2,0,0,0,0|1,0,0]=3 93 B7R0.5 C(CN)[C@@H](C(=O)O)O BC206932 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.5 C(CO)[C@@H](C(=O)O)N BC675299 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.5 C(CO)[C@H](C(=O)O)N BC219582 [0,2,0,0,0,0|1,0,1]=4 96 B7R0.5 COCC(C(=O)O)Cl BC686173 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.5 COCC(C(=O)O)N BC686174 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.5 COC[C@@H](C(=O)O)N BC679205 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.5 COC[C@H](C(=O)O)N BC679204 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.10 C([C@H]([C@H](CS)O)O)S BC676855 [0,2,0,0,0,0|0,1,0]=3 101 B7R0.10 COC(=O)[C@@H](CO)N BC215129 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.13 CC(C)(CO)C(=O)O BC202237 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.13 C[C@@](CO)(C(=O)O)N BC679182 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.13 C[C@](CO)(C(=O)O)N BC679183 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.14 CC(C)(C)[C@@H](CO)N BC245590 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O BC676678 [0,2,0,0,0,0|1,0,1]=4 107 B7R0.16 C[C@H]([C@H](C(=O)O)N)O BC678605 [0,2,0,0,0,0|1,0,1]=4 108 B5R1.2 C1C(=O)CO1 BC254016 [1,0,0,1,0,0|0,0,2]=4 109 B5R1.2 C1C(CN1)F BC645449 [1,0,0,1,0,0|2,0,0]=4 110 B5R1.2 C1C(CN1)F BC653174 [1,0,0,1,0,0|2,0,0]=4 111 B5R1.2 C1C(CN1)O BC202769 [1,0,0,1,0,0|1,0,0]=3 112 B5R1.2 C1C(CN1)O BC225998 [1,0,0,1,0,0|1,0,0]=3 113 B5R1.2 C1C(CO1)I BC254008 [1,0,0,1,0,0|1,0,0]=3 114 B5R1.2 C1C(CO1)N BC245004 [1,0,0,1,0,0|1,0,0]=3 115 B5R1.2 C1C(CO1)N BC254014 [1,0,0,1,0,0|1,0,0]=3 116 B5R1.2 C1C(CO1)O BC683706 [1,0,0,1,0,0|0,0,0]=2 117 B5R1.2 C1CC(C1)O BC202494 [1,0,0,1,0,0|1,0,0]=3 118 B5R1.3 C1C(O1)CCl BC226808 [1,0,0,1,0,0|1,0,0]=3 119 B5R1.3 C1C(O1)CCl BC263420 [1,0,0,1,0,0|1,0,0]=3 120 B5R1.3 C1CC1CBr BC678756 [1,0,0,1,0,0|2,0,0]=4 121 B5R1.3 C1CC1CN BC205627 [1,0,0,1,0,0|2,0,0]=4 122 B5R1.3 C1CC1CO BC658437 [1,0,0,1,0,0|1,0,0]=3 123 B5R1.3 C1[C@@H](O1)CCl BC213453 [1,0,0,1,0,0|1,0,0]=3 124 B5R1.3 C1[C@H](O1)CO BC213455 [1,0,0,1,0,0|0,0,0]=2 125 B5R1.1 C1COC=C1 BC209508 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.1 C1C=CCC1CO BC202822 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.1 C1CC(NC1)CO BC683595 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.1 C1CC(OC1)CO BC203371 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.2 C1C[C@@H](C[C@H]1N)O BC243140 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.2 C1C[C@H](C[C@@H]1N)O BC666823 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.2 C1C[C@H](C[C@H]1N)O BC243224 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.2 C1[C@H](CNC1=O)O BC676893 [0,1,0,1,0,0|1,0,1]=4 134 B7R1.2 CN1CCC(C1)O BC202129 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.3 C1CC(COC1)O BC666036 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.3 C1CCNC(C1)O BC219297 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.3 C1CNCCC1O BC274718 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.3 C1COCCC1N BC653013 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.3 C1COCCC1N BC678841 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.3 C1COCCC1N BC681680 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.3 C1COCCC1O BC653702 [0,1,0,1,0,0|1,0,0]=3 142 B7R1.3 C1C[C@@H](CNC1)O BC208981 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.3 C1C[C@H](CNC1)O BC679086 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.3 CC1COCCN1 BC678917 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.3 C[C@@H]1COCCN1 BC239042 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.3 C[C@@H]1COCCN1 BC640295 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.4 C1C[C@H]([C@@H](C1)O)N BC210746 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.21 CCOC1(CC1)O BC639088 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.25 CC1(COC1)CO BC218812 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.18 C1COC1C(=O)O BC653175 [0,1,0,1,0,0|1,0,1]=4 151 B7R1.19 C1CC1(C(=O)O)O BC202242 [0,1,0,1,0,0|1,0,1]=4 152 B7R1.29 C1CC1(CO)CO BC200535 [0,1,0,1,0,0|1,0,0]=3 153 B7R2.13 C1C2C(O2)CO1 BC220715 [0,0,0,2,0,0|1,0,0]=3