0 B8R1.4 C1C=NC(=CC1=O)Cl BC208831 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 C1CNC(=O)CC1N BC678826 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.4 C1CNC(=O)CC1O BC678827 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.4 CN1CCCC(C1)O BC219296 [0,0,0,0,0,0|1,0,3]=4 4 B8R1.4 C[C@H]1CCC[C@@H](N1)C BC219288 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.4 Cc1cc(ccn1)Br BC208673 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.4 Cc1cc(ccn1)Cl BC219169 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.4 Cc1cc(ccn1)O BC208676 [0,0,0,0,0,0|1,0,3]=4 8 B8R1.4 Cc1cc(cnc1)Br BC202211 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.4 Cc1cc(cnc1)N BC208421 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.4 Cc1cc(cnc1)O BC201216 [0,0,0,0,0,0|1,0,3]=4 11 B8R1.4 Cc1cc(ncn1)Cl BC204226 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.4 Cc1cccc(c1)F BC675323 [0,0,0,0,0,0|1,0,3]=4 13 B8R1.4 Cc1cccc(c1)O BC207588 [0,0,0,0,0,0|0,0,4]=4 14 B8R1.4 Cc1ccnc(c1)Br BC207069 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.4 Cc1ccnc(c1)F BC219183 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.4 c1c(cn[nH]c1=O)I BC244710 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.3 C1C=COCC1=O BC245013 [1,0,0,0,0,0|1,0,2]=4 19 B7R1.3 C1CC(=O)CNC1 BC677163 [1,0,0,0,0,0|1,0,1]=3 20 B7R1.3 C1CCC(=O)CC1 BC214118 [1,0,0,0,0,0|0,0,2]=3 21 B7R1.3 C1CNC(=O)CN1 BC204568 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.3 C1CNCCC1=O BC222569 [1,0,0,0,0,0|1,0,2]=4 23 B7R1.3 C1COC(=O)CO1 BC683885 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.3 C1COC(=O)OC1 BC201342 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.3 C1COCCC1=O BC210699 [1,0,0,0,0,0|1,0,2]=4 26 B7R1.3 CC1CCCCN1 BC200305 [1,0,0,0,0,0|1,0,2]=4 27 B7R1.3 C[C@H]1CCCCN1 BC209006 [1,0,0,0,0,0|1,0,2]=4 28 B7R1.3 C[C@H]1CCCNC1 BC208984 [1,0,0,0,0,0|1,0,2]=4 29 B7R1.3 Cc1cccnc1 BC228007 [1,0,0,0,0,0|1,0,2]=4 30 B7R1.3 c1cc(=O)[nH]nc1 BC225809 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.3 c1cnc[nH]c1=O BC209585 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.34 Cc1cc(=O)[nH]c(=O)[nH]1 BC226865 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [0,0,1,0,0,0|1,0,2]=4 34 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [0,0,1,0,0,0|1,0,2]=4 35 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [0,0,1,0,0,0|2,0,1]=4 36 B7R0.4 C(CCBr)CC(=O)O BC220689 [0,0,1,0,0,0|2,0,1]=4 37 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [0,0,1,0,0,0|2,0,1]=4 38 B7R0.7 CCCC(=O)OCCl BC203403 [0,0,1,0,0,0|2,0,1]=4 39 B7R0.7 CCOC(=O)CC=O BC222385 [0,0,1,0,0,0|2,0,1]=4 40 B9R2.25 C1C2C1C(=O)OC2=O BC680768 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.2 C1C(=O)NC(=O)N1 BC220746 [0,0,0,0,1,0|3,0,0]=4 42 B7R1.2 C1CC(=O)OC1=O BC676904 [0,0,0,0,1,0|2,0,0]=3 43 B7R1.2 CC1=CC(=O)CC1 BC243785 [0,0,0,0,1,0|0,0,0]=1 44 B7R1.2 CC1=CCC(=O)O1 BC205542 [0,0,0,0,1,0|1,0,1]=3 45 B7R1.2 CC1=NNC(=O)C1 BC649952 [0,0,0,0,1,0|2,0,1]=4 46 B7R1.2 Cc1cc(n[nH]1)C BC227849 [0,0,0,0,1,0|3,0,0]=4 47 B7R1.2 Cc1cc(no1)N BC200452 [0,0,0,0,1,0|3,0,0]=4 48 B7R1.4 C1CC(=C(C1)Br)Br BC213699 [0,0,0,0,1,0|2,0,0]=3 49 B7R1.4 C1COC(=O)[C@@H]1N BC679085 [0,0,0,0,1,0|2,0,1]=4 50 B7R1.4 CC1CCNC1=O BC676006 [0,0,0,0,1,0|1,0,1]=3 51 B7R1.4 CN1CCCC1=O BC675578 [0,0,0,0,1,0|1,0,0]=2 52 B7R1.4 CN1CCNC1=O BC207797 [0,0,0,0,1,0|2,0,0]=3 53 B9R1.49 CN1CCC(=O)NCC1 BC220706 [0,0,0,0,0,1|2,0,1]=4 54 B6R0.1 CCOC(=O)C=O BC222485 [1,0,1,0,0,0|2,0,0]=4 55 B6R0.1 COC(=O)CCS BC219495 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.2 CC(=CC(=O)O)C BC200231 [1,0,1,0,0,0|1,0,0]=3 57 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213287 [1,0,1,0,0,0|1,0,0]=3 58 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213310 [1,0,1,0,0,0|1,0,0]=3 59 B6R0.4 C(CC(=O)O)CBr BC219750 [1,0,1,0,0,0|2,0,0]=4 60 B6R0.4 C(CC(=O)O)CN BC204189 [1,0,1,0,0,0|2,0,0]=4 61 B6R0.4 C(\C=C\C(=O)O)O BC224091 [1,0,1,0,0,0|2,0,0]=4 62 B6R0.4 C=CCCC(=O)O BC678220 [1,0,1,0,0,0|1,0,1]=4 63 B6R0.6 CCC\C=C\C=O BC231929 [1,0,1,0,0,0|0,0,0]=2 64 B6R1.1 C1CC=CC=C1 BC207599 [2,0,0,0,0,0|0,0,1]=3 65 B6R1.1 C1CC=COC1 BC208296 [2,0,0,0,0,0|1,0,0]=3 66 B8R0.5 CCOC(=O)C=C(C)C BC201331 [0,1,1,0,0,0|0,0,0]=2 67 B8R0.5 CCOC(=O)CC(=O)C BC202411 [0,1,1,0,0,0|1,0,1]=4 68 B8R0.5 CCOC(=O)\C=C(/C)\N BC204111 [0,1,1,0,0,0|1,0,0]=3 69 B8R0.19 CCC(=O)CC(=O)OC BC651002 [0,1,1,0,0,0|1,0,1]=4 70 B8R0.23 C[C@H](C(=O)OC(C)C)N BC600251 [0,1,1,0,0,0|1,0,1]=4 71 B8R0.6 CCCCOC(=O)C=O BC202578 [0,1,1,0,0,0|1,0,1]=4 72 B8R0.7 C(CCC(=O)O)CCBr BC206267 [0,1,1,0,0,0|1,0,1]=4 73 B8R0.7 C(CCC(=O)O)CCN BC204341 [0,1,1,0,0,0|1,0,1]=4 74 B8R0.8 CSCCC(C(=O)O)N BC201484 [0,1,1,0,0,0|2,0,0]=4 75 B8R0.8 CSCCC(C(=O)[O-])O BC650591 [0,1,1,0,0,0|2,0,0]=4 76 B8R0.8 CSCC[C@@H](C(=O)N)N BC215117 [0,1,1,0,0,0|2,0,0]=4 77 B8R0.1 CCOC(=O)CCCN BC200163 [0,1,1,0,0,0|1,0,1]=4 78 B8R0.1 CCOC(=O)\C=C\CBr BC203933 [0,1,1,0,0,0|1,0,0]=3 79 B8R0.1 CCOCC(=O)OCC BC224632 [0,1,1,0,0,0|1,0,1]=4 80 B8R1.3 C1CC(=O)NC[C@@H]1O BC659466 [1,1,0,0,0,0|1,0,1]=4 81 B8R1.3 CC1CCC(=O)CC1 BC219613 [1,1,0,0,0,0|0,0,2]=4 82 B8R1.5 C1CCC(=O)C(=O)C1 BC680226 [1,1,0,0,0,0|0,0,1]=3 83 B8R1.5 C1CCC(=O)C(C1)Br BC221238 [1,1,0,0,0,0|0,0,2]=4 84 B8R1.5 C1CCN(C(=O)C1)N BC682035 [1,1,0,0,0,0|1,0,1]=4 85 B8R1.1 C1CC(=O)N[C@H]1CO BC676884 [0,1,0,0,1,0|1,0,1]=4 86 B8R1.1 Cc1cc(sc1)C=O BC645199 [0,1,0,0,1,0|1,0,1]=4 87 B8R1.18 CC1=CC(=O)OC1O BC213808 [0,1,0,0,1,0|1,0,0]=3 88 B8R1.50 C1CC(=O)N(C1=O)I BC220192 [0,1,0,0,1,0|2,0,0]=4 89 B8R1.50 C1CC(=O)N(C1=O)O BC209532 [0,1,0,0,1,0|2,0,0]=4 90 B8R1.50 CC1=C(C(=O)CO1)O BC207037 [0,1,0,0,1,0|1,0,0]=3 91 B8R1.11 C1CC(C(=O)C1)C#N BC675967 [0,1,0,0,1,0|0,0,2]=4 92 B8R1.11 CCN1CCCC1=O BC215697 [0,1,0,0,1,0|1,0,0]=3 93 B10R1.2 CCN1CCNC(=O)C1=O BC682289 [0,2,0,0,0,0|2,0,0]=4 94 B8R1.7 C1C=CCC1C(=O)O BC226569 [0,0,1,1,0,0|1,0,1]=4 95 B8R1.7 C1CNCC1C(=O)O BC202146 [0,0,1,1,0,0|2,0,0]=4 96 B8R1.7 C1CNC[C@@H]1C(=O)O BC677876 [0,0,1,1,0,0|2,0,0]=4 97 B8R1.7 C1CNC[C@H]1C(=O)O BC202147 [0,0,1,1,0,0|2,0,0]=4 98 B8R1.7 C1COC[C@H]1C(=O)O BC677393 [0,0,1,1,0,0|2,0,0]=4 99 B8R1.7 CC(=O)C1CCCC1 BC225383 [0,0,1,1,0,0|0,0,2]=4 100 B8R1.22 C1CC(=O)CCNC1 BC220436 [0,0,1,1,0,0|1,0,1]=4 101 B8R1.22 C1CCCC(=O)CC1 BC219858 [0,0,1,1,0,0|0,0,2]=4 102 B8R1.37 CCOC(=O)C1CC1 BC207703 [0,0,1,1,0,0|1,0,1]=4 103 B10R2.62 C1CN2CCC1C(=O)C2 BC211813 [0,1,0,1,0,0|1,0,1]=4 104 B10R2.62 C1CN2CCC1C(=O)C2 BC220405 [0,1,0,1,0,0|1,0,1]=4 105 B6R0.3 CC(=C)C(=O)OC BC222747 [0,0,1,0,1,0|1,0,1]=4 106 B6R0.3 CC(=O)C(=O)CBr BC241276 [0,0,1,0,1,0|2,0,0]=4 107 B6R0.3 CC(=O)N(C)OC BC210650 [0,0,1,0,1,0|2,0,0]=4 108 B6R0.3 CN(C)C(=O)CCl BC208319 [0,0,1,0,1,0|2,0,0]=4 109 B6R0.3 C\C=C(/C)\C(=O)O BC206708 [0,0,1,0,1,0|1,0,1]=4 110 B6R1.2 C1C=CC(=O)O1 BC201413 [1,0,0,0,1,0|1,0,0]=3 111 B6R1.2 C1CC(=O)C=C1 BC652225 [1,0,0,0,1,0|0,0,0]=2 112 B6R1.2 C1CC(=O)NC1 BC225697 [1,0,0,0,1,0|1,0,0]=3 113 B6R1.2 C1CNC(=O)N1 BC202712 [1,0,0,0,1,0|2,0,0]=4 114 B6R1.2 C1CNCC1=O BC208274 [1,0,0,0,1,0|1,0,1]=4 115 B6R1.2 C1COCC1=O BC244549 [1,0,0,0,1,0|1,0,1]=4 116 B6R1.2 CC1CCCN1 BC208988 [1,0,0,0,1,0|1,0,1]=4 117 B6R1.2 CC1CCCO1 BC205640 [1,0,0,0,1,0|1,0,1]=4 118 B6R1.2 C[C@@H]1CCCN1 BC677871 [1,0,0,0,1,0|1,0,1]=4 119 B6R1.2 C[C@H]1CCCN1 BC208991 [1,0,0,0,1,0|1,0,1]=4 120 B6R1.2 Cc1ccno1 BC226936 [1,0,0,0,1,0|2,0,0]=4