0 B6R1.1 C1CCNCC1 LS20630 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.1 C1CSCCN1 LS20061 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 C1CC(=O)CNC1 LS20136 [0,1,0,0,0,0|1,0,1]=3 3 B7R1.3 C1CC(=O)CNC1 LS20876 [0,1,0,0,0,0|1,0,1]=3 4 B7R1.3 C1CC(CNC1)O LS20687 [0,1,0,0,0,0|1,0,0]=2 5 B7R1.3 C1CCN(CC1)N LS20693 [0,1,0,0,0,0|1,0,0]=2 6 B7R1.3 C1CCN(CC1)N LS20694 [0,1,0,0,0,0|1,0,0]=2 7 B7R1.3 C1CCS(=O)CC1 LS40520 [0,1,0,0,0,0|2,0,0]=3 8 B7R1.3 C1CNC(=O)CN1 LS20789 [0,1,0,0,0,0|0,0,1]=2 9 B7R1.3 C1CNCCC1Br LS20253 [0,1,0,0,0,0|1,0,0]=2 10 B7R1.3 C1CNCCC1N LS20678 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.3 C1CNCCC1N LS20903 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.3 C1CNCCC1O LS20318 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 C1COC(=O)CO1 LS40469 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.3 C1COCC(=O)N1 LS20467 [0,1,0,0,0,0|1,0,1]=3 15 B7R1.3 C1COCCC1=O LS40242 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.3 C1CSCCC1=O LS40396 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,1,0,0,0,0|1,0,0]=2 18 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 CC1CCCCN1 LS21158 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.3 CN1CCNCC1 LS20947 [0,1,0,0,0,0|0,0,0]=1 21 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,1,0,0,0,0|0,0,0]=1 22 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,1,0,0,0,0|1,0,0]=2 23 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,1,0,0,0,0|0,0,0]=1 26 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.3 C[C@H]1COCCN1 LS30012 [0,1,0,0,0,0|1,0,0]=2 28 B7R1.3 C[C@H]1COCCN1 LS30156 [0,1,0,0,0,0|1,0,0]=2 29 B5R0.2 C(CCBr)CBr LS40910 [0,0,1,0,0,0|3,0,0]=4 30 B5R0.2 C(CCF)CF LS40665 [0,0,1,0,0,0|3,0,0]=4 31 B5R0.2 C(CCF)CO LS40657 [0,0,1,0,0,0|3,0,0]=4 32 B5R0.2 COCCC#N LS40792 [0,0,1,0,0,0|3,0,0]=4 33 B5R0.2 COCCCBr LS40222 [0,0,1,0,0,0|3,0,0]=4 34 B5R1.1 C1C=CCN1 LS20566 [0,0,0,0,1,0|0,0,2]=3 35 B7R1.24 C1CNCCNC1 LS40494 [0,0,0,0,0,1|0,0,0]=1 36 B4R0.2 C(CF)CF LS40664 [1,0,1,0,0,0|2,0,0]=4 37 B4R0.2 C(CN)CBr LS00114 [1,0,1,0,0,0|1,0,0]=3 38 B4R0.2 C(CO)CF LS40656 [1,0,1,0,0,0|2,0,0]=4 39 B4R0.2 CNCCO LS40382 [1,0,1,0,0,0|1,0,0]=3 40 B4R0.2 COCCBr LS40281 [1,0,1,0,0,0|2,0,0]=4 41 B6R0.6 C(CBr)NCCBr LS41604 [0,1,1,0,0,0|1,0,0]=3 42 B6R0.6 C(CCF)CCF LS40666 [0,1,1,0,0,0|2,0,0]=4 43 B6R0.6 C(CCO)CCF LS40658 [0,1,1,0,0,0|2,0,0]=4 44 B6R0.6 C(CCl)NCCCl LS40789 [0,1,1,0,0,0|1,0,0]=3 45 B6R0.6 COCCCCCl LS00136 [0,1,1,0,0,0|2,0,0]=4 46 B6R1.2 C1CC(=O)OC1 LS40356 [0,1,0,0,1,0|1,0,1]=4 47 B6R1.2 C1CNCC1=O LS20898 [0,1,0,0,1,0|0,0,1]=3 48 B6R1.2 C1CNCC1N LS20700 [0,1,0,0,1,0|0,0,0]=2 49 B6R1.2 C1CNC[C@@H]1O LS30060 [0,1,0,0,1,0|0,0,0]=2 50 B6R1.2 C1CNC[C@@H]1O LS30061 [0,1,0,0,1,0|0,0,0]=2 51 B6R1.2 C1CNC[C@H]1N LS30070 [0,1,0,0,1,0|0,0,0]=2 52 B6R1.2 C1COCC1=O LS21051 [0,1,0,0,1,0|1,0,1]=4 53 B6R1.2 C1COCC1O LS21045 [0,1,0,0,1,0|1,0,0]=3 54 B6R1.2 C1COC[C@@H]1N LS30001 [0,1,0,0,1,0|1,0,0]=3 55 B6R1.2 C1COC[C@@H]1O LS30063 [0,1,0,0,1,0|1,0,0]=3 56 B6R1.2 C1COC[C@H]1O LS30020 [0,1,0,0,1,0|1,0,0]=3 57 B6R1.2 C1COC[C@H]1O LS30064 [0,1,0,0,1,0|1,0,0]=3 58 B6R1.2 C1CSCC1=O LS40268 [0,1,0,0,1,0|1,0,1]=4 59 B6R1.2 CC1=NCCC1 LS20850 [0,1,0,0,1,0|0,0,2]=4 60 B8R1.2 C1CCC(CC1)C=O LS40273 [0,2,0,0,0,0|2,0,0]=4 61 B8R1.2 C1CCC(CC1)CN LS40038 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.2 C1CCN(CC1)C=O LS20491 [0,2,0,0,0,0|1,0,0]=3 63 B8R1.2 C1CCOC(C1)CO LS20884 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.2 C1CNCCC1CN LS21222 [0,2,0,0,0,0|1,0,0]=3 65 B8R1.2 C1COC[C@@H](N1)CO LS00103 [0,2,0,0,0,0|1,0,0]=3 66 B8R1.2 C1COC[C@H](N1)CO LS00102 [0,2,0,0,0,0|1,0,0]=3 67 B8R1.2 C1CO[C@@H](CN1)CO LS30134 [0,2,0,0,0,0|1,0,0]=3 68 B8R1.2 CCN1CCNCC1 LS20285 [0,2,0,0,0,0|0,0,0]=2 69 B8R1.2 CC[C@@H]1COCCN1 LS30017 [0,2,0,0,0,0|1,0,0]=3 70 B8R1.2 CC[C@H]1COCCN1 LS30018 [0,2,0,0,0,0|1,0,0]=3 71 B8R1.2 CNC1CCCNC1 LS20138 [0,2,0,0,0,0|1,0,0]=3 72 B8R1.2 CSC1CCNCC1 LS20119 [0,2,0,0,0,0|1,0,0]=3 73 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N LS30035 [0,2,0,0,0,0|2,0,0]=4 74 B8R1.3 C1[C@@H](CC[C@H](C1)O)O LS30275 [0,2,0,0,0,0|2,0,0]=4 75 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.3 CN1CCC(CC1)N LS20683 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.3 CN1CCC(CC1)O LS40375 [0,2,0,0,0,0|1,0,0]=3 78 B8R1.3 CN1CCN(CC1)N LS20698 [0,2,0,0,0,0|0,0,0]=2 79 B8R1.4 C1CC(CC(C1)O)N LS40220 [0,2,0,0,0,0|2,0,0]=4 80 B8R1.4 C1CNC(=O)CC1N LS20121 [0,2,0,0,0,0|1,0,1]=4 81 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,2,0,0,0,0|0,0,1]=3 82 B8R1.5 C1CC[C@@H]([C@H](C1)N)N LS30194 [0,2,0,0,0,0|2,0,0]=4 83 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30024 [0,2,0,0,0,0|2,0,0]=4 84 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30123 [0,2,0,0,0,0|2,0,0]=4 85 B8R1.5 C1CC[C@H]([C@@H](C1)N)N LS30059 [0,2,0,0,0,0|2,0,0]=4 86 B8R1.5 C1CC[C@H]([C@H](C1)N)O LS30029 [0,2,0,0,0,0|2,0,0]=4 87 B8R1.72 C1CNCCC1(F)F LS20131 [0,2,0,0,0,0|1,0,0]=3 88 B8R1.72 C1CNCCC1(F)F LS20132 [0,2,0,0,0,0|1,0,0]=3 89 B8R1.72 C1CNCCC1(O)O LS20793 [0,2,0,0,0,0|1,0,0]=3 90 B8R1.72 C1CS(=O)(=O)CCN1 LS00030 [0,2,0,0,0,0|1,0,0]=3 91 B8R1.72 CC1(CCNCC1)O LS20682 [0,2,0,0,0,0|1,0,0]=3 92 B8R1.72 CC1(CCNCC1)O LS20905 [0,2,0,0,0,0|1,0,0]=3 93 B8R1.72 C[N+]1(CCCCC1)C LS40575 [0,2,0,0,0,0|1,0,1]=4 94 B6R1.3 COC[C@@H]1CO1 LS30113 [0,0,1,1,0,0|2,0,0]=4 95 B6R1.6 C1CC(C1)CBr LS40121 [0,0,1,1,0,0|2,0,0]=4 96 B6R1.6 C1CC(C1)CN LS40614 [0,0,1,1,0,0|1,0,0]=3 97 B6R1.6 C1CC(C1)CN LS40654 [0,0,1,1,0,0|1,0,0]=3 98 B6R1.6 C1CC(C1)CO LS41574 [0,0,1,1,0,0|2,0,0]=4 99 B8R1.49 C1\C=C/CC\C=C/C1 LS41132 [0,0,0,0,0,2|2,0,0]=4