0 B7R0.5 CC(C)C(=O)CC#N AB22304 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,0,0,0,0,0|1,1,1]=3 2 B7R0.5 CCOC(=O)C(=S)N PB24589 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CCNC(=O)C=C CB10170 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.1 CCOC(=N)CCl AB60917 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.1 CCOC(=N)CO AB60920 [1,0,0,0,0,0|1,1,0]=3 6 B6R0.1 CCOC(=O)C#N PB24520 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.3 CC(C)C(=O)NN PB30560 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.3 COC(=O)C(=N)N AB50977 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.3 C[C@@H](C(=O)OC)N AB02553 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [0,1,0,0,0,0|1,0,0]=2 11 B8R0.14 CCOC(=C)[Si](C)(C)C AB03748 [0,1,0,0,0,0|2,1,0]=4 12 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.5 C1CNCC(C1=O)F PB20587 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.5 C1COCC(C1=O)Br PB18064 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.5 C1COCC(C1=O)F PB28362 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,0,0,1,0,0|1,1,0]=3 20 B8R1.5 CC1C(OCCN1)C AB72725 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.5 CC1CCNCC1=O PB36769 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.5 CC1CNCCC1=O PB23474 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.5 CC1COCCC1=O PB26907 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,0,0,1,0,0|2,0,0]=3 26 B8R0.5 CCOC(=O)CC(=N)N AB29705 [0,0,0,0,0,1|2,0,1]=4 27 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,0,0,0,0,1|1,1,1]=4 28 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [0,0,0,0,0,1|1,1,1]=4 29 B8R0.5 CCOC(=O)CC(F)F AB71794 [0,0,0,0,0,1|2,0,0]=3 30 B5R0.3 CCC(=O)C=O AB21438 [2,0,0,0,0,0|0,1,1]=4 31 B5R0.3 CCC(=O)NN PB26058 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.3 COC(=O)CN AB01112 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.5 CC(C(=O)N)N AB43014 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.5 C[C@@H](C(=O)O)N AB02601 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.3 COC(=O)CCCO AB65249 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.7 CCOC(=O)C#CC AB01182 [1,1,0,0,0,0|0,0,1]=3 38 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [1,1,0,0,0,0|0,0,1]=3 39 B7R0.7 CCOC(=O)N=C=S AB00381 [1,1,0,0,0,0|0,0,2]=4 40 B7R0.10 CCC(C(=O)OC)N AB16757 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.14 CC(C)(C(=O)OC)F AB13921 [1,1,0,0,0,0|1,0,0]=3 42 B7R0.14 CC(C)(C)C(=O)CN AB29945 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.34 CCOC(=O)CC(C=C)O MB69298 [0,1,0,0,0,1|0,1,1]=4 44 B9R0.34 CCOC(=O)CC(C=O)Cl AB76485 [0,1,0,0,0,1|1,0,1]=4 45 B9R0.19 CCC(C)(C(=O)OCC)N AB12009 [0,2,0,0,0,0|1,0,0]=3 46 B9R0.19 CC[C@](C)(C(=O)OCC)N AB26229 [0,2,0,0,0,0|1,0,0]=3 47 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [0,2,0,0,0,0|0,1,1]=4 48 B9R0.35 CCOC(=N)C(=O)OCC AB60910 [0,2,0,0,0,0|1,0,1]=4 49 B9R0.37 CCOC(=O)C(C=O)C=O PB13383 [0,2,0,0,0,0|0,1,1]=4 50 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.3 C1CC(=O)CNC1 AB27650 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.3 C1CC(=O)CNC1 PB26241 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,1,0,0|1,1,0]=4 54 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,1,0,0|1,0,0]=3 55 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,1,0,0|1,0,1]=4 56 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,1,0,0|1,0,1]=4 57 B7R1.3 C1CNC(=O)CN1 PB23229 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.3 C1CNCCC1=O PB32095 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.3 C1COC(=O)CN1 AB71646 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.3 C1COCC(=O)N1 PB29100 [1,0,0,1,0,0|1,1,0]=4 61 B7R1.3 C1COCCC1=O PB24536 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.3 C1CSCCC1=O PB25896 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [1,0,0,1,0,0|1,1,0]=4 66 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,1,0,0|0,1,0]=3 67 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.22 C1CC1C(=O)CBr AB45693 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.14 CC1(CCOC1)N PB13539 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,0,0,1,0,1|2,0,0]=4 71 B9R1.137 CC(C)OC(=O)C1CC1 AB21119 [0,0,0,1,0,1|2,0,0]=4 72 B9R1.3 CN1CCCC(C1=O)N PB20691 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.15 CCC1C(=O)NCCN1 AB22426 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.15 CCC1CCCCC1=O AB02693 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.69 C[C@@H]1CNC(=O)[C@@H](N1)C AB72319 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C AB72313 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C AB72316 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.69 C[C@H]1CNC(=O)[C@H](N1)C AB72314 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.40 CC1(C(=O)NCCN1)C AB09796 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.40 CC1(C(=O)NCCO1)C AB71828 [0,1,0,1,0,0|1,1,0]=4 90 B9R1.40 CC1(CNCCC1=O)C PB31517 [0,1,0,1,0,0|2,0,0]=4 91 B9R2.19 C1C2CNC(=O)C1N2 PB31914 [0,0,0,2,0,0|2,0,0]=4