0 B5R0.1 C(CN)C(=O)O BC219368 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(CS)C(=O)O BC226809 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.1 CC(=CCBr)C BC211224 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.1 CC(=O)\C=N/O BC671081 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 CC(C)N=C=O BC226288 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.1 CCCC(=[NH2+])N BC202602 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CCOC(=O)Cl BC222115 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 CN(C)CCCl BC226043 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 C[C@H](CCO)O BC655806 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 C\C=C\C(=O)O BC206359 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 C(=NO)(Br)Br BC665809 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 C(=O)C(=O)O BC207995 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C(=O)C(=O)O BC679582 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C(C(=O)N)N BC679380 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 C(C(=O)O)Br BC651357 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 C(C(=O)O)N BC204500 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 C(C(=O)[O-])S BC223764 [1,0,0,0,0,0|2,1,0]=4 17 B4R0.1 CC(=O)CBr BC253377 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 CC(=O)CN BC220002 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 CC(=O)NN BC211460 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 CCC(=O)Cl BC658482 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CC[C@@H](C)N BC678458 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 CN(C)C=O BC206707 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 COC(=O)Cl BC225650 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 COC(=O)N BC219589 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 C[C@@H](CN)N BC200223 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 C[C@@H](CO)N BC678138 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 C[C@H](CN)N BC202234 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C[C@H](CN)O BC203537 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 C#CCCO BC208885 [1,0,0,0,0,0|0,0,3]=4 30 B4R0.2 C(CO)C#N BC676633 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.2 C(CO)CBr BC209634 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.2 C(CO)CO BC206060 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CCOC=C BC208832 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 CC[NH2+]CC BC620750 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 C\C=C\CN BC220709 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.1 C(C(=O)NCO)Cl BC214951 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.1 C(CO)[C@@H](CO)O BC206874 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.1 CCOC(=O)CBr BC206664 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.1 CCOC(=O)CN BC676695 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.1 COC(=O)CCS BC219495 [0,1,0,0,0,0|1,1,1]=4 41 B6R0.2 CC(=CC(=O)O)C BC200231 [0,1,0,0,0,0|0,0,1]=2 42 B6R0.2 CC(C)CC(=O)O BC677309 [0,1,0,0,0,0|0,0,3]=4 43 B6R0.2 CC(CN(C)C)Cl BC214983 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.2 CC(CN(C)C)N BC600236 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.2 CC(CN(C)C)N BC640377 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.2 CC(OC(=O)C)Br BC650646 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213287 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213310 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.3 C(C(=O)C(=O)O)Br BC213512 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.3 C(C(C(=O)O)N)O BC205416 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.3 C([C@@H](C(=O)O)N)O BC676679 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.3 C([C@H](C(=O)O)N)O BC676713 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.3 CC(=C)C(=O)OC BC222747 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.3 CC(=O)C(=O)CBr BC241276 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.3 CC(C)C(=O)NN BC222284 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.3 CN(C)C(=O)CCl BC208319 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.4 C(\C=C\C(=O)O)O BC224091 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.4 CC(=O)OCC=C BC219433 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.4 CC(=O)OCCBr BC677702 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.4 CC(C)CCCBr BC219799 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.4 CN(C)CCCBr BC201788 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.4 CN(C)CCCBr BC600124 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.4 CN(C)CCCCl BC225643 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.4 CN(C)CCCCl BC675427 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.4 CN(C)CCCN BC206138 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 CN(C)CCCO BC210758 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.5 CC(C)(CCO)N BC218643 [0,1,0,0,0,0|0,0,2]=3 68 B6R0.5 C[Si](C)(C)CCO BC210000 [0,1,0,0,0,0|0,1,1]=3 69 B6R1.2 C1C(=O)O[Pt]O1 BC679461 [0,0,0,1,0,0|3,0,0]=4 70 B6R1.2 C1CC(=O)C=C1 BC652225 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.2 C1CC(=O)NC1 BC225697 [0,0,0,1,0,0|3,0,0]=4 72 B6R1.2 C1CNCC1=O BC208274 [0,0,0,1,0,0|2,0,1]=4 73 B6R1.2 C1COCC1=O BC244549 [0,0,0,1,0,0|1,0,1]=3 74 B6R1.2 C1COCC1O BC201032 [0,0,0,1,0,0|1,0,2]=4 75 B6R1.2 C1COC[C@@H]1N BC675401 [0,0,0,1,0,0|1,0,2]=4 76 B6R1.2 C1COC[C@@H]1O BC678095 [0,0,0,1,0,0|1,0,2]=4 77 B6R1.2 C1COC[C@H]1N BC213397 [0,0,0,1,0,0|1,0,2]=4 78 B6R1.2 C1COC[C@H]1O BC206872 [0,0,0,1,0,0|1,0,2]=4 79 B6R1.2 C1COC[C@H]1O BC623081 [0,0,0,1,0,0|1,0,2]=4 80 B6R1.2 CC1CCCN1 BC208988 [0,0,0,1,0,0|2,0,1]=4 81 B6R1.2 CC1CCCO1 BC205640 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.2 C[C@@H]1CCCN1 BC677871 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 C[C@H]1CCCN1 BC208991 [0,0,0,1,0,0|2,0,1]=4 84 B6R1.2 Cc1c[nH]cn1 BC200416 [0,0,0,1,0,0|3,0,0]=4 85 B6R1.2 Cc1c[nH]nc1 BC677698 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.2 Cc1c[nH]nn1 BC655515 [0,0,0,1,0,0|3,0,0]=4 87 B6R1.2 Cc1ccno1 BC226936 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 c1cocc1Br BC227194 [0,0,0,1,0,0|1,0,2]=4 89 B6R1.2 c1conc1N BC215684 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.3 C1CN1CCN BC678925 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.5 C1[C@@H](C[C@@H]1N)O BC295270 [0,0,0,1,0,0|1,0,2]=4 92 B6R1.11 C1C(O1)C(=O)O BC224303 [0,0,0,1,0,0|2,0,1]=4 93 B3R0.1 C(CBr)O BC207410 [2,0,0,0,0,0|1,0,1]=4 94 B3R0.1 C(CO)N BC202305 [2,0,0,0,0,0|1,0,1]=4 95 B3R0.1 C=CCO BC201967 [2,0,0,0,0,0|0,0,0]=2 96 B3R0.1 CNOC BC205383 [2,0,0,0,0,0|2,0,0]=4 97 B3R0.2 CC(=N)N BC207082 [2,0,0,0,0,0|2,0,0]=4 98 B3R0.2 CC(=O)O BC253535 [2,0,0,0,0,0|1,0,0]=3 99 B3R0.2 CC(=O)[O-] BC213306 [2,0,0,0,0,0|1,0,1]=4 100 B3R0.2 CC(=O)[O-] BC657511 [2,0,0,0,0,0|1,0,1]=4 101 B3R0.2 CC(=O)[O-] BC666701 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.3 C(C(=O)CO)O BC200545 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.3 C(C(CCl)O)O BC204241 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.3 C(C(CO)O)N BC204240 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.3 C(C(CS)O)O BC222900 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.3 C([C@@H](CO)O)N BC206909 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.3 C([C@@H](CO)O)N BC650721 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.3 CCC(CO)N BC203737 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.3 COC(=O)C=C BC222749 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.3 COC(=O)C=O BC202567 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.3 COC(=O)CN BC215108 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.3 COC(=O)OC BC205807 [1,1,0,0,0,0|2,0,0]=4 113 B5R0.4 CC(C)(C)C=O BC207937 [1,1,0,0,0,0|0,0,2]=4 114 B5R0.4 CC(C)(CBr)F BC214287 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.4 CC(C)(CN)S BC678254 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.4 CC(C)(CO)N BC220996 [1,1,0,0,0,0|0,0,1]=3 117 B5R0.4 C[Si](C)(C)CN BC213701 [1,1,0,0,0,0|1,1,0]=4 118 B5R0.5 CC(=C)C(=O)Cl BC216466 [1,1,0,0,0,0|0,0,2]=4 119 B5R0.5 CC(=C)C(=O)O BC675577 [1,1,0,0,0,0|0,0,1]=3 120 B5R0.5 CC(=O)C(=O)O BC216002 [1,1,0,0,0,0|1,0,0]=3 121 B5R0.5 CC(=O)C(=O)[O-] BC630684 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.5 CC(=O)N(C)C BC204203 [1,1,0,0,0,0|1,0,0]=3 123 B5R0.5 CC(C(=O)C)Br BC202460 [1,1,0,0,0,0|1,0,1]=4 124 B5R0.5 CC(C(=O)O)Br BC226871 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.5 C[C@@H](C(=O)O)N BC677968 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.5 C[C@@H](C(=O)O)O BC207702 [1,1,0,0,0,0|1,0,1]=4 127 B5R0.2 C(CCO)CN BC205259 [1,1,0,0,0,0|0,0,2]=4 128 B5R0.2 C(\C=C\CCl)Cl BC225131 [1,1,0,0,0,0|1,0,0]=3 129 B7R0.2 CC(C)C[C@@H](CO)N BC205071 [0,2,0,0,0,0|0,0,2]=4 130 B7R0.2 CN(C)CC(CO)O BC226763 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.2 C[C@@H](CC(=O)OC)O BC228164 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.3 COC(=O)\C=C\CBr BC203932 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.3 COCCC(=O)OC BC210937 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.3 C[C@@H](CO)OCOC BC653002 [0,2,0,0,0,0|1,0,1]=4 135 B7R0.3 C[C@H](CO)OCOC BC207047 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.5 CCOC(=O)C(=O)C BC676704 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.10 CN(C(=O)CCl)OC BC210288 [0,2,0,0,0,0|2,0,0]=4 138 B7R0.10 COC(=O)C(=O)CBr BC208895 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.10 COC(=O)[C@@H](CO)N BC215129 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.9 CC(O)C[C@@](O)(C)C BC206685 [0,2,0,0,0,0|0,0,2]=4 141 B7R0.14 CC(C)(C)C(=O)CN BC208598 [0,2,0,0,0,0|1,0,1]=4 142 B7R0.14 CC(C)(C)[C@@H](CO)N BC245590 [0,2,0,0,0,0|0,0,2]=4 143 B7R0.6 CC(=O)CCC(=O)O BC216409 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [0,2,0,0,0,0|1,0,1]=4 145 B7R0.6 C[S+](C)CCC(=O)O BC215874 [0,2,0,0,0,0|1,0,1]=4 146 B5R1.2 C1C(=O)CN1 BC653134 [1,0,0,1,0,0|2,0,0]=4 147 B5R1.2 C1C(=O)CO1 BC254016 [1,0,0,1,0,0|1,0,0]=3 148 B5R1.2 C1C(=O)CS1 BC669058 [1,0,0,1,0,0|1,1,0]=4 149 B5R1.2 C1C(CO1)I BC254008 [1,0,0,1,0,0|1,0,1]=4 150 B5R1.2 C1C(CO1)N BC245004 [1,0,0,1,0,0|1,0,1]=4 151 B5R1.2 C1C(CO1)N BC254014 [1,0,0,1,0,0|1,0,1]=4 152 B5R1.2 C1C(CO1)O BC683706 [1,0,0,1,0,0|1,0,1]=4 153 B5R1.2 C1CC(=O)C1 BC209625 [1,0,0,1,0,0|1,0,1]=4 154 B5R1.3 C1CC1C=O BC222357 [1,0,0,1,0,0|0,0,2]=4 155 B5R1.3 C1CC1CBr BC678756 [1,0,0,1,0,0|1,0,1]=4 156 B5R1.3 C1CC1CN BC205627 [1,0,0,1,0,0|1,0,1]=4 157 B5R1.3 C1CC1CO BC658437 [1,0,0,1,0,0|0,0,1]=3 158 B5R1.3 C1[C@H](O1)CO BC213455 [1,0,0,1,0,0|1,0,1]=4 159 B5R1.1 C1C=CCN1 BC204537 [1,0,0,1,0,0|1,0,0]=3 160 B5R1.1 C1C=CCN1 BC678848 [1,0,0,1,0,0|1,0,0]=3 161 B5R1.1 C1COC=C1 BC209508 [1,0,0,1,0,0|0,0,2]=4 162 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [0,1,0,1,0,0|1,0,1]=4 163 B7R1.2 C1[C@H](CNC1=O)O BC676893 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.2 CC1=CC(=O)CC1 BC243785 [0,1,0,1,0,0|0,0,2]=4 165 B7R1.2 CC1=CCC(=O)O1 BC205542 [0,1,0,1,0,0|1,0,1]=4 166 B7R1.2 CN1CCC(C1)O BC202129 [0,1,0,1,0,0|1,0,1]=4 167 B7R1.3 C1C=COCC1=O BC245013 [0,1,0,1,0,0|1,0,1]=4 168 B7R1.3 C1COC(=O)CO1 BC683885 [0,1,0,1,0,0|1,0,1]=4 169 B7R1.3 C1COCCC1=O BC210699 [0,1,0,1,0,0|1,0,1]=4 170 B7R1.3 CC1COCCN1 BC678917 [0,1,0,1,0,0|0,0,2]=4 171 B7R1.3 CN1CCOCC1 BC202650 [0,1,0,1,0,0|1,0,1]=4 172 B7R1.3 C[C@@H]1COCCN1 BC239042 [0,1,0,1,0,0|0,0,2]=4 173 B7R1.3 C[C@@H]1COCCN1 BC640295 [0,1,0,1,0,0|0,0,2]=4 174 B7R1.4 C1CC(=C(C1)Br)Br BC213699 [0,1,0,1,0,0|2,0,0]=4 175 B7R1.4 CN1CCCC1=O BC675578 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.4 Cc1cscc1C BC653364 [0,1,0,1,0,0|2,0,0]=4