0 B5R0.2 C(CC#N)CCl LS40416 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C(CCBr)CBr LS40910 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C(CCF)CF LS40665 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C(CCF)CO LS40657 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.2 C=CCCCBr LS20766 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.2 COCCC#N LS40792 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 COCCCBr LS40222 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.2 C(CF)CF LS40664 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.2 C(CN)CBr LS00114 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.2 C(CO)CF LS40656 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|0,0,1]=2 12 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.4 C=CCCC(=O)O LS41473 [0,1,0,0,0,0|0,0,0]=1 16 B6R0.6 C=CCCCCO LS40909 [0,1,0,0,0,0|0,0,2]=3 17 B6R1.1 c1cc[nH+]cc1 LS00013 [0,0,0,1,0,0|1,0,2]=4 18 B6R1.1 c1ccncc1 LS40760 [0,0,0,1,0,0|1,0,2]=4 19 B6R1.1 c1cnccn1 LS20037 [0,0,0,1,0,0|2,0,1]=4 20 B6R1.1 c1cncnc1 LS20614 [0,0,0,1,0,0|2,0,1]=4 21 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,1,0,0|1,0,1]=3 22 B6R1.2 C1CNCC1=O LS20898 [0,0,0,1,0,0|1,0,1]=3 23 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|1,0,1]=3 24 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|1,0,1]=3 25 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|1,0,2]=4 26 B6R1.2 Cc1cc[nH]n1 LS20095 [0,0,0,1,0,0|3,0,0]=4 27 B6R1.2 Cc1cccs1 LS20640 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.2 c1c[nH]nc1N LS20237 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 c1cc(sc1)Br LS20644 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.2 c1cc(sc1)Cl LS21132 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.2 c1cc(sc1)S LS21100 [0,0,0,1,0,0|1,1,1]=4 32 B6R1.2 c1cnsc1N LS20872 [0,0,0,1,0,0|3,0,0]=4 33 B6R1.2 c1coc(=O)o1 LS40378 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.2 c1cocc1Br LS20289 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.2 c1conc1N LS20282 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.2 c1cscc1Br LS20645 [0,0,0,1,0,0|2,0,1]=4 37 B3R0.1 C(CCl)N LS40418 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,0,1]=4 39 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|1,0,1]=4 40 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 C(C#N)C(=O)N LS41191 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.1 C(CO)C(=O)O LS40008 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,2,0,0,0,0|1,0,1]=4 46 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,2,0,0,0,0|0,0,2]=4 47 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [0,2,0,0,0,0|0,0,2]=4 48 B7R0.4 CCCCCC(=O)Cl LS40461 [0,2,0,0,0,0|0,0,2]=4 49 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,2,0,0,0,0|1,0,0]=3 50 B7R0.6 C(CC(=O)[O-])C(=O)[O-] LS40932 [0,2,0,0,0,0|1,0,0]=3 51 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,2,0,0,0,0|0,0,1]=3 52 B7R0.1 C=CCCCCCCl LS40295 [0,2,0,0,0,0|1,0,1]=4 53 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|1,0,1]=4 54 B5R1.1 c1c[nH]nc1 LS21032 [1,0,0,1,0,0|2,0,0]=4 55 B5R1.1 c1cnoc1 LS21145 [1,0,0,1,0,0|2,0,0]=4 56 B5R1.1 c1cnsc1 LS21251 [1,0,0,1,0,0|2,0,0]=4 57 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|1,0,1]=4 58 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|1,0,1]=4 59 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|0,0,1]=3 60 B7R1.1 C1C=CCC1CO LS40472 [0,1,0,1,0,0|0,0,2]=4 61 B7R1.1 C1CCC(C1)C=O LS41696 [0,1,0,1,0,0|0,0,2]=4 62 B7R1.1 c1c(nc[nH]1)C=O LS20992 [0,1,0,1,0,0|1,0,1]=4 63 B7R1.1 c1c(ncs1)C=O LS21128 [0,1,0,1,0,0|1,0,1]=4 64 B7R1.1 c1cc([nH]c1)C=O LS00119 [0,1,0,1,0,0|0,0,2]=4 65 B7R1.1 c1cc(sc1)C=O LS40350 [0,1,0,1,0,0|0,0,2]=4 66 B7R1.1 c1cnc([nH]1)C=O LS20564 [0,1,0,1,0,0|1,0,1]=4 67 B7R1.1 c1csc(n1)C=O LS20580 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.1 c1cscc1C=O LS20646 [0,1,0,1,0,0|0,0,2]=4 69 B7R1.2 C1CC(=O)CC1=O LS41637 [0,1,0,1,0,0|0,0,1]=3 70 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,1,0,1,0,0|1,0,1]=4 72 B7R1.3 C1CC(=O)CNC1 LS20136 [0,1,0,1,0,0|0,0,2]=4 73 B7R1.3 C1CC(=O)CNC1 LS20876 [0,1,0,1,0,0|0,0,2]=4 74 B7R1.3 C1CNC(=O)CN1 LS20789 [0,1,0,1,0,0|1,0,1]=4 75 B7R1.3 C1COC(=O)CO1 LS40469 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.3 C1COCC(=O)N1 LS20467 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.3 C1COCCC1=O LS40242 [0,1,0,1,0,0|0,0,2]=4 78 B7R1.3 C1CSCCC1=O LS40396 [0,1,0,1,0,0|0,0,2]=4 79 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [0,1,0,1,0,0|0,0,2]=4 80 B7R1.4 C1COC(=O)C1Br LS40518 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.14 C1C=CS(=O)(=O)O1 LS40134 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,1,0,1,0,0|1,0,1]=4