0 B7R0.1 C#CCCCCCO LS40112 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.1 C(CCCF)CCF LS40667 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C(CCCF)CCO LS40659 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 C(CCCO)CCN LS40173 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 C(CCCS)CCO LS40174 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.6 C(CCF)CCF LS40666 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.6 C(CCO)CCF LS40658 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.6 C=CCCCCO LS40909 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.6 COCCCCCl LS00136 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.1 CCOC(=O)CCCCl LS41645 [0,1,0,0,0,0|2,0,0]=3 10 B8R0.1 CCOC(=O)NCCCl LS41685 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.4 C(CCCF)CCCF LS40668 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.4 C(CCCO)CCCF LS40660 [0,1,0,0,0,0|0,0,2]=3 13 B8R0.4 C(CCCO)CCCO LS40221 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.7 B(CCCCCC)(O)O LS11158 [0,1,0,0,0,0|1,0,2]=4 15 B8R1.2 C1CCC(CC1)CN LS40038 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.2 C1CCOC(C1)CO LS20884 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.2 C1CNCCC1CN LS21222 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.2 C1COC[C@@H](N1)CO LS00103 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 C1COC[C@H](N1)CO LS00102 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 C1CO[C@@H](CN1)CO LS30134 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30024 [0,0,0,1,0,0|1,0,2]=4 22 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30123 [0,0,0,1,0,0|1,0,2]=4 23 B8R1.5 C1CC[C@H]([C@H](C1)N)O LS30029 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.8 c1cc(sc1)CCO LS21112 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.11 Cn1ccnc1CO LS20254 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.49 C1\C=C/CC\C=C/C1 LS41132 [0,0,0,1,0,0|1,0,1]=3 27 B5R0.2 C(CCBr)CBr LS40910 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.2 C(CCF)CF LS40665 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.2 C(CCF)CO LS40657 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.2 C(\C=C/CCl)Cl LS30130 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.2 C(\C=C\CCl)Cl LS30302 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.2 C=CCCCBr LS20766 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.2 COCCCBr LS40222 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.4 B(CCCCC)(O)O LS11156 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.4 CCC\C=C\C(=O)C LS41924 [1,1,0,0,0,0|0,0,1]=3 36 B7R0.7 CCOC(=O)CCCl LS40099 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.34 CCOC(=O)CC(CCl)O LS40616 [0,2,0,0,0,0|2,0,0]=4 38 B9R0.34 CCOC(=O)C[C@@H](CCl)O LS30197 [0,2,0,0,0,0|2,0,0]=4 39 B9R0.34 CCOC(=O)C[C@H](CCl)O LS30133 [0,2,0,0,0,0|2,0,0]=4 40 B9R0.45 C(CCCCF)CCCO LS40661 [0,2,0,0,0,0|0,0,2]=4 41 B7R1.1 C1C=CCC1CO LS40472 [1,0,0,1,0,0|0,0,0]=2 42 B7R1.1 C1CNC[C@@H]1CO LS30145 [1,0,0,1,0,0|1,0,0]=3 43 B7R1.1 C1CNC[C@H]1CO LS30146 [1,0,0,1,0,0|1,0,0]=3 44 B7R1.1 C1C[C@@H](OC1)CN LS30245 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.1 C1C[C@H](OC1)CN LS30244 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.3 C1CC(CNC1)O LS20687 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.3 C1CNCCC1Br LS20253 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.3 C1CNCCC1N LS20678 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.3 C1CNCCC1N LS20903 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.3 C1CNCCC1O LS20318 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.3 CC1CCCCN1 LS21158 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.3 C[C@@H]1CNCCO1 LS30015 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.3 C[C@H]1CNCCO1 LS30016 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.24 C1CNCCNC1 LS40494 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.8 C1CCNC(C1)CCO LS21152 [0,1,0,1,0,0|0,0,2]=4 56 B9R1.8 C1CN(CCN1)CCO LS20284 [0,1,0,1,0,0|1,0,1]=4 57 B9R1.12 CCOCC1CCCO1 LS41243 [0,1,0,1,0,0|0,0,2]=4 58 B9R1.11 COC(=O)C1=CCCC1 LS20758 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.6 C1C[C@@H](CC=C1)C(=O)O LS00083 [0,1,0,1,0,0|0,0,1]=3