0 B3R0.1 C#CC=O BC221012 [0,0,0,0,0,0|0,0,2]=2 1 B3R0.1 C#CCN BC205260 [0,0,0,0,0,0|2,0,1]=3 2 B3R0.1 C#CCN BC652391 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.1 C(C#N)N BC226079 [0,0,0,0,0,0|2,0,1]=3 4 B3R0.1 C(C#N)N BC251564 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.1 C(CBr)F BC202042 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.1 C(CBr)O BC207410 [0,0,0,0,0,0|1,0,2]=3 7 B3R0.1 C(CCl)N BC209331 [0,0,0,0,0,0|2,0,1]=3 8 B3R0.1 C(CO)N BC202305 [0,0,0,0,0,0|1,0,2]=3 9 B3R0.1 C(CS)N BC214793 [0,0,0,0,0,0|1,1,1]=3 10 B3R0.1 C=CCO BC201967 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.1 CNOC BC205383 [0,0,0,0,0,0|3,0,0]=3 12 B2R0.1 CSC BC658588 [1,0,0,0,0,0|1,0,1]=3 13 B2R0.1 Cl[Pt]Cl BC213290 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 C(=NO)(Br)Br BC665809 [0,1,0,0,0,0|3,0,0]=4 15 B4R0.1 C(=O)C(=O)O BC207995 [0,1,0,0,0,0|1,0,1]=3 16 B4R0.1 C(=O)C(=O)O BC679582 [0,1,0,0,0,0|1,0,1]=3 17 B4R0.1 C(C(=O)N)N BC679380 [0,1,0,0,0,0|1,0,0]=2 18 B4R0.1 C(C(=O)O)Br BC651357 [0,1,0,0,0,0|1,0,0]=2 19 B4R0.1 C(C(=O)O)N BC204500 [0,1,0,0,0,0|1,0,0]=2 20 B4R0.1 C(C(=O)[O-])S BC223764 [0,1,0,0,0,0|1,0,0]=2 21 B4R0.1 C=C(C#N)Cl BC209246 [0,1,0,0,0,0|2,0,1]=4 22 B4R0.1 C=C[N+](=O)[O-] BC245163 [0,1,0,0,0,0|1,0,2]=4 23 B4R0.1 CC(=O)CBr BC253377 [0,1,0,0,0,0|1,0,0]=2 24 B4R0.1 CC(=O)CN BC220002 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(=O)NN BC211460 [0,1,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(C#C)O BC220409 [0,1,0,0,0,0|1,0,1]=3 27 B4R0.1 CCC(=O)Cl BC658482 [0,1,0,0,0,0|0,0,0]=1 28 B4R0.1 CC[C@@H](C)N BC678458 [0,1,0,0,0,0|1,0,1]=3 29 B4R0.1 CN(C)C=O BC206707 [0,1,0,0,0,0|1,0,0]=2 30 B4R0.1 COC(=O)Cl BC225650 [0,1,0,0,0,0|1,0,0]=2 31 B4R0.1 COC(=O)N BC219589 [0,1,0,0,0,0|1,0,0]=2 32 B4R0.1 C[C@@H](CN)N BC200223 [0,1,0,0,0,0|1,0,1]=3 33 B4R0.1 C[C@@H](CO)N BC678138 [0,1,0,0,0,0|0,0,2]=3 34 B4R0.1 C[C@H](CN)N BC202234 [0,1,0,0,0,0|1,0,1]=3 35 B4R0.1 C[C@H](CN)O BC203537 [0,1,0,0,0,0|1,0,1]=3 36 B4R0.2 C#CCCO BC208885 [0,1,0,0,0,0|1,0,1]=3 37 B4R0.2 C(CF)CBr BC676334 [0,1,0,0,0,0|1,0,1]=3 38 B4R0.2 C(CN)CBr BC209330 [0,1,0,0,0,0|1,0,1]=3 39 B4R0.2 C(CN)CCl BC200221 [0,1,0,0,0,0|1,0,1]=3 40 B4R0.2 C(CO)C#N BC676633 [0,1,0,0,0,0|1,0,1]=3 41 B4R0.2 C(CO)CBr BC209634 [0,1,0,0,0,0|0,0,2]=3 42 B4R0.2 C(CO)CO BC206060 [0,1,0,0,0,0|0,0,2]=3 43 B4R0.2 CCCC#N BC207705 [0,1,0,0,0,0|1,0,1]=3 44 B4R0.2 CCOC=C BC208832 [0,1,0,0,0,0|1,0,0]=2 45 B4R0.2 CC[NH2+]CC BC620750 [0,1,0,0,0,0|1,0,1]=3 46 B4R0.2 CNCC#C BC214336 [0,1,0,0,0,0|1,0,1]=3 47 B4R0.2 CSCC=O BC296573 [0,1,0,0,0,0|0,0,0]=1 48 B4R0.2 C\C=C\CN BC220709 [0,1,0,0,0,0|1,0,1]=3 49 B4R1.1 C1CNC1 BC685625 [0,0,0,1,0,0|1,0,1]=3 50 B4R1.2 C1CC1Br BC685351 [0,0,0,1,0,0|1,0,1]=3 51 B4R1.2 C1CC1Cl BC650748 [0,0,0,1,0,0|1,0,1]=3 52 B4R1.2 C[C@@H]1CO1 BC226271 [0,0,0,1,0,0|0,0,2]=3 53 B3R0.2 C(=N)(N)N BC211195 [1,1,0,0,0,0|2,0,0]=4 54 B3R0.2 C(=N)(N)N BC211196 [1,1,0,0,0,0|2,0,0]=4 55 B3R0.2 C(=O)([O-])[O-] BC677659 [1,1,0,0,0,0|1,0,0]=3 56 B3R0.2 C(=S)(Cl)Cl BC654182 [1,1,0,0,0,0|1,1,0]=4 57 B3R0.2 CC(=N)N BC207082 [1,1,0,0,0,0|1,0,0]=3 58 B3R0.2 CC(=O)O BC253535 [1,1,0,0,0,0|0,0,0]=2 59 B3R0.2 CC(=O)[O-] BC213306 [1,1,0,0,0,0|0,0,0]=2 60 B3R0.2 CC(=O)[O-] BC657511 [1,1,0,0,0,0|0,0,0]=2 61 B3R0.2 CC(=O)[O-] BC666701 [1,1,0,0,0,0|0,0,0]=2 62 B5R0.1 C(CBr)C(Br)Br BC677946 [0,2,0,0,0,0|1,0,1]=4 63 B5R0.1 C(CN)C(=O)O BC219368 [0,2,0,0,0,0|0,0,0]=2 64 B5R0.1 C(CS)C(=O)O BC226809 [0,2,0,0,0,0|0,0,0]=2 65 B5R0.1 CC(=CCBr)C BC211224 [0,2,0,0,0,0|1,0,1]=4 66 B5R0.1 CC(=O)\C=N/O BC671081 [0,2,0,0,0,0|0,0,2]=4 67 B5R0.1 CC(C)N=C=O BC226288 [0,2,0,0,0,0|0,0,1]=3 68 B5R0.1 CCCC(=[NH2+])N BC202602 [0,2,0,0,0,0|1,0,0]=3 69 B5R0.1 CCOC(=O)Cl BC222115 [0,2,0,0,0,0|0,0,0]=2 70 B5R0.1 CN(C)CCCl BC226043 [0,2,0,0,0,0|1,0,1]=4 71 B5R0.1 CSCC(=N)N BC223707 [0,2,0,0,0,0|1,0,0]=3 72 B5R0.1 C[C@H](CCO)O BC655806 [0,2,0,0,0,0|0,0,2]=4 73 B5R0.1 C\C=C\C(=O)O BC206359 [0,2,0,0,0,0|0,0,1]=3 74 B5R0.3 C(C(=O)CO)O BC200545 [0,2,0,0,0,0|1,0,0]=3 75 B5R0.3 C(C(C#N)Br)Br BC650334 [0,2,0,0,0,0|1,0,1]=4 76 B5R0.3 C(C(CCl)O)O BC204241 [0,2,0,0,0,0|0,0,2]=4 77 B5R0.3 C(C(CN)O)N BC203604 [0,2,0,0,0,0|1,0,1]=4 78 B5R0.3 C(C(CO)O)N BC204240 [0,2,0,0,0,0|0,0,2]=4 79 B5R0.3 C(C(CS)O)O BC222900 [0,2,0,0,0,0|0,0,2]=4 80 B5R0.3 C([C@@H](CO)O)N BC206909 [0,2,0,0,0,0|0,0,2]=4 81 B5R0.3 C([C@@H](CO)O)N BC650721 [0,2,0,0,0,0|0,0,2]=4 82 B5R0.3 CCC(CO)N BC203737 [0,2,0,0,0,0|0,0,2]=4 83 B5R0.3 COC(=O)C=C BC222749 [0,2,0,0,0,0|1,0,0]=3 84 B5R0.3 COC(=O)C=O BC202567 [0,2,0,0,0,0|0,0,1]=3 85 B5R0.3 COC(=O)CN BC215108 [0,2,0,0,0,0|1,0,0]=3 86 B5R0.3 COC(=O)OC BC205807 [0,2,0,0,0,0|1,0,0]=3 87 B5R0.4 CC(C)(C#C)N BC222600 [0,2,0,0,0,0|1,0,1]=4 88 B5R0.4 CC(C)(C#C)O BC224176 [0,2,0,0,0,0|1,0,1]=4 89 B5R0.4 CC(C)(C)C=O BC207937 [0,2,0,0,0,0|0,0,0]=2 90 B5R0.4 CC(C)(CBr)F BC214287 [0,2,0,0,0,0|1,0,1]=4 91 B5R0.4 CC(C)(CN)S BC678254 [0,2,0,0,0,0|1,0,1]=4 92 B5R0.4 CC(C)(CO)N BC220996 [0,2,0,0,0,0|0,0,2]=4 93 B5R0.4 CCS(=O)(=O)N BC243556 [0,2,0,0,0,0|1,0,0]=3 94 B5R0.4 CNS(=O)(=O)C BC205544 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.4 CNS(=O)(=O)Cl BC221005 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.5 CC(=C)C(=O)Cl BC216466 [0,2,0,0,0,0|0,0,1]=3 97 B5R0.5 CC(=C)C(=O)O BC675577 [0,2,0,0,0,0|0,0,1]=3 98 B5R0.5 CC(=O)C(=O)O BC216002 [0,2,0,0,0,0|0,0,1]=3 99 B5R0.5 CC(=O)C(=O)[O-] BC630684 [0,2,0,0,0,0|0,0,1]=3 100 B5R0.5 CC(=O)N(C)C BC204203 [0,2,0,0,0,0|1,0,0]=3 101 B5R0.5 CC(C(=O)C)Br BC202460 [0,2,0,0,0,0|0,0,0]=2 102 B5R0.5 CC(C(=O)O)Br BC226871 [0,2,0,0,0,0|0,0,0]=2 103 B5R0.5 CC(C)N(=O)=O BC224337 [0,2,0,0,0,0|1,0,0]=3 104 B5R0.5 CN(C(=S)N)N BC213199 [0,2,0,0,0,0|1,1,0]=4 105 B5R0.5 C[C@@H](C(=O)N)N BC678137 [0,2,0,0,0,0|0,0,0]=2 106 B5R0.5 C[C@@H](C(=O)O)N BC677968 [0,2,0,0,0,0|0,0,0]=2 107 B5R0.5 C[C@@H](C(=O)O)O BC207702 [0,2,0,0,0,0|0,0,0]=2 108 B5R0.2 C#CCCCO BC210688 [0,2,0,0,0,0|0,0,2]=4 109 B5R0.2 C(CC=O)C=O BC222879 [0,2,0,0,0,0|0,0,0]=2 110 B5R0.2 C(CCBr)CBr BC201066 [0,2,0,0,0,0|1,0,1]=4 111 B5R0.2 C(CCO)CN BC205259 [0,2,0,0,0,0|0,0,2]=4 112 B5R0.2 C(CCl)OCCl BC677515 [0,2,0,0,0,0|1,0,1]=4 113 B5R0.2 C(\C=C\CCl)Cl BC225131 [0,2,0,0,0,0|1,0,1]=4 114 B5R0.2 C=CCCCBr BC202057 [0,2,0,0,0,0|1,0,0]=3 115 B5R0.2 CCOCCCl BC214993 [0,2,0,0,0,0|1,0,1]=4 116 B5R0.2 CNCCNC BC686207 [0,2,0,0,0,0|1,0,1]=4 117 B5R0.2 COCCC#N BC202023 [0,2,0,0,0,0|1,0,1]=4 118 B5R1.2 C1C(=O)CN1 BC653134 [0,1,0,1,0,0|0,0,0]=2 119 B5R1.2 C1C(=O)CO1 BC254016 [0,1,0,1,0,0|0,0,0]=2 120 B5R1.2 C1C(=O)CS1 BC669058 [0,1,0,1,0,0|0,0,0]=2 121 B5R1.2 C1C(CN1)F BC645449 [0,1,0,1,0,0|1,0,1]=4 122 B5R1.2 C1C(CN1)F BC653174 [0,1,0,1,0,0|1,0,1]=4 123 B5R1.2 C1C(CN1)O BC202769 [0,1,0,1,0,0|0,0,2]=4 124 B5R1.2 C1C(CN1)O BC225998 [0,1,0,1,0,0|0,0,2]=4 125 B5R1.2 C1C(CO1)I BC254008 [0,1,0,1,0,0|0,0,2]=4 126 B5R1.2 C1C(CO1)N BC245004 [0,1,0,1,0,0|0,0,2]=4 127 B5R1.2 C1C(CO1)N BC254014 [0,1,0,1,0,0|0,0,2]=4 128 B5R1.2 C1C(CO1)O BC683706 [0,1,0,1,0,0|0,0,2]=4 129 B5R1.2 C1CC(=O)C1 BC209625 [0,1,0,1,0,0|0,0,0]=2 130 B5R1.2 C1CC(C1)O BC202494 [0,1,0,1,0,0|0,0,2]=4 131 B5R1.3 C1C(O1)CCl BC226808 [0,1,0,1,0,0|0,0,2]=4 132 B5R1.3 C1C(O1)CCl BC263420 [0,1,0,1,0,0|0,0,2]=4 133 B5R1.3 C1CC1C=O BC222357 [0,1,0,1,0,0|0,0,0]=2 134 B5R1.3 C1CC1CBr BC678756 [0,1,0,1,0,0|1,0,1]=4 135 B5R1.3 C1CC1CN BC205627 [0,1,0,1,0,0|1,0,1]=4 136 B5R1.3 C1CC1CO BC658437 [0,1,0,1,0,0|0,0,2]=4 137 B5R1.3 C1[C@@H](O1)CCl BC213453 [0,1,0,1,0,0|0,0,2]=4 138 B5R1.3 C1[C@H](O1)CO BC213455 [0,1,0,1,0,0|0,0,2]=4 139 B5R1.1 C1C=CCN1 BC204537 [0,1,0,1,0,0|1,0,0]=3 140 B5R1.1 C1C=CCN1 BC678848 [0,1,0,1,0,0|1,0,0]=3 141 B5R1.1 C1COC=C1 BC209508 [0,1,0,1,0,0|0,0,1]=3