0 B7R0.7 C(NC(=O)NCO)O LS00085 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.7 CCOC(=O)CCCl LS40099 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 CCOC(=O)CBr LS40563 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.1 CCOC(=O)CF LS40582 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.1 CCOC(=O)OC LS41158 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.1 CNC(=O)CC#N LS41677 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 COC(=N)CCCl LS40140 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.6 C(CBr)NCCBr LS41604 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 C(CCF)CCF LS40666 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.6 C(CCO)CCF LS40658 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 C(CCl)NCCCl LS40789 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.6 COCCCCCl LS00136 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.1 CCOC(=O)CCCCl LS41645 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.1 CCOC(=O)NCCCl LS41685 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.3 CCOC(=O)C(CBr)Br LS40411 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.5 CCOC(=O)CC(=O)Cl LS40576 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.5 CCOC(=O)CC(=O)[O-] LS40579 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.5 CCOC(=O)C[N+](=O)[O-] LS41176 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.4 C1CC(CC(C1)O)N LS40220 [0,0,0,1,0,0|1,0,2]=4 19 B8R1.4 C1CNC(=O)CC1N LS20121 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.8 C1CCN(C1)CCN LS20889 [0,0,0,1,0,0|3,0,0]=4 22 B5R0.1 C(CCl)C(=O)Cl LS40026 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.1 C(CO)C(=O)O LS40008 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.1 CCC[C@@H](C)O LS30259 [2,0,0,0,0,0|0,0,2]=4 25 B5R0.1 CCC[C@H](C)O LS30258 [2,0,0,0,0,0|0,0,2]=4 26 B5R0.2 C(CCBr)CBr LS40910 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.2 C(CCF)CF LS40665 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.2 C(CCF)CO LS40657 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.2 COCCCBr LS40222 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.3 C(C(=O)CO)O LS41177 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.3 COC(=O)CBr LS40562 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.3 COC(=O)CF LS40581 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.2 CC(C)NC(=O)CBr LS40529 [1,1,0,0,0,0|2,0,0]=4 34 B7R0.2 CCC(C)CC(C)N LS41471 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [1,1,0,0,0,0|1,0,0]=3 39 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [1,1,0,0,0,0|1,0,0]=3 40 B7R0.11 CCCS(=O)(=O)OC LS41895 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.1 C(CCCF)CCF LS40667 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.1 C(CCCF)CCO LS40659 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.1 C(CCCO)CCN LS40173 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.1 C(CCCS)CCO LS40174 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.4 CCC\C=C\C(=O)C LS41924 [1,1,0,0,0,0|0,0,2]=4 46 B9R0.5 CCO\C=C\C(=O)OCC LS40219 [0,2,0,0,0,0|1,0,1]=4 47 B9R0.34 CCOC(=O)CC(CCl)O LS40616 [0,2,0,0,0,0|1,0,0]=3 48 B9R0.34 CCOC(=O)C[C@@H](CCl)O LS30197 [0,2,0,0,0,0|1,0,0]=3 49 B9R0.34 CCOC(=O)C[C@H](CCl)O LS30133 [0,2,0,0,0,0|1,0,0]=3 50 B9R0.34 COCC(=O)CC(=O)OC LS41141 [0,2,0,0,0,0|1,0,1]=4 51 B9R0.6 CCOC(=O)C(C(=O)C)F LS40406 [0,2,0,0,0,0|1,0,1]=4 52 B9R0.6 CCOC(=O)C(C)C(=O)C LS40327 [0,2,0,0,0,0|1,0,1]=4 53 B9R0.58 CCCS(=O)(=O)OC(C)C LS41894 [0,2,0,0,0,0|2,0,0]=4 54 B7R1.2 C1CC(=O)CC1=O LS41637 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.2 C1[C@@H](COC1=O)O LS30540 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.3 C1CC(=O)CNC1 LS20136 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.3 C1CC(=O)CNC1 LS20876 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.3 C1CCN(CC1)N LS20693 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.3 C1CCN(CC1)N LS20694 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.3 C1CCS(=O)CC1 LS40520 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.3 C1CNC(=O)CN1 LS20789 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 C1COC(=O)CO1 LS40469 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.3 C1COCC(=O)N1 LS20467 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 C1COCCC1=O LS40242 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.3 C1CSCCC1=O LS40396 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.4 C1COC(=O)C1Br LS40518 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.24 C1CNCCNC1 LS40494 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.2 COC1=CC(=O)CCC1 LS41609 [0,1,0,1,0,0|0,0,2]=4 72 B9R1.12 CCCCN1CCCC1 LS20142 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.12 CCOCC1CCCO1 LS41243 [0,1,0,1,0,0|0,0,2]=4 74 B9R1.33 CCCN1CCCC1=O LS40501 [0,1,0,1,0,0|0,0,0]=2 75 B9R1.48 C1CCC(=O)CC(=O)C1 LS40206 [0,1,0,1,0,0|0,0,1]=3 76 B9R1.49 CN1CCCC(=O)CC1 LS40279 [0,1,0,1,0,0|0,0,0]=2 77 B9R1.74 CCOC(=O)C1(CC1)N LS40105 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.34 CC1CC(=O)CC(=O)C1 LS40106 [0,1,0,1,0,0|0,0,1]=3 79 B9R1.66 CC1(CC(=O)CCO1)C LS20174 [0,1,0,1,0,0|1,0,0]=3