0 B6R0.1 CCC(C)CCCl DA-29559 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCNC(=O)OC DA-41968 [0,0,0,0,0,0|1,1,0]=2 2 B6R0.1 COC(=O)CC#C DA-23882 [0,0,0,0,0,0|0,1,2]=3 3 B6R0.1 COC(=O)NC#N DA-42250 [0,0,0,0,0,0|2,1,1]=4 4 B6R0.1 COCC(=N)OC DA-32949 [0,0,0,0,0,0|2,1,0]=3 5 B5R0.1 C(C(=O)O)NN DA-26159 [1,0,0,0,0,0|2,1,0]=4 6 B5R0.1 CC(=O)CCN DA-21357 [1,0,0,0,0,0|1,0,0]=2 7 B5R0.1 CCCC(C)N DA-25725 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.2 CNCCCBr DA-25561 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 CNCCCBr DA-42177 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 CNCCSC DA-39999 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.3 C(C(=O)C=O)Cl DA-23845 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.2 CC(=S)CC(=O)CCl DA-29563 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.2 CC(C)CC(=O)C=O DA-39138 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.2 CC(C)CC(=O)CBr DA-29611 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.2 COC(=O)CC(=S)N DA-32774 [0,1,0,0,0,0|1,1,1]=4 16 B7R0.3 C#CC(=O)NCCN DA-47884 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.3 C#CCCC(=O)NN DA-47769 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.3 C(CC(=O)CBr)CCl DA-29610 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.3 C(CNC(=O)CBr)N DA-31826 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.3 CCC#CC(=O)OC DA-43094 [0,1,0,0,0,0|0,1,1]=3 21 B7R0.3 CCCOC(=O)CBr DA-42657 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.3 CNCCC(=O)NC DA-42263 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.3 COC(=O)CCC=C DA-41292 [0,1,0,0,0,0|0,1,1]=3 24 B7R0.3 COC(=O)NCC#C DA-45403 [0,1,0,0,0,0|0,1,2]=4 25 B7R0.3 COC(=O)NCCN DA-33027 [0,1,0,0,0,0|1,1,0]=3 26 B7R0.5 CCNC(=O)C(=O)O DA-27699 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.5 CCOC(=N)C(C)C DA-33642 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.5 CN(C)C(=O)CCCl DA-23719 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.5 CN(C)C(=O)CON DA-45503 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.7 CCOC(=O)C#CBr DA-34102 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.7 CCOC(=O)CC#C DA-23883 [0,1,0,0,0,0|0,1,2]=4 32 B7R0.7 COCC(=O)CC#N DA-39210 [0,1,0,0,0,0|1,1,1]=4 33 B7R0.10 CC(C#C)C(=O)OC DA-32932 [0,1,0,0,0,0|0,1,2]=4 34 B7R0.10 COC(C(=O)OC)Cl DA-33008 [0,1,0,0,0,0|1,1,0]=3 35 B7R0.10 C[C@@H](C(=O)OC)NC DA-47787 [0,1,0,0,0,0|1,1,0]=3 36 B7R1.1 C1CC=C(C1)CBr DA-30681 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.1 CNC1CCCC1 DA-41441 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.1 COC1CCCC1 DA-34934 [0,0,0,1,0,0|1,1,1]=4 39 B7R1.1 CSC1=NCCC1 DA-24719 [0,0,0,1,0,0|1,0,0]=2 40 B7R1.2 C1C(C=CC1=O)O DA-39357 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.2 CC1CC(=O)NN1 DA-37107 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.3 C1C=CC(=O)CO1 DA-39998 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 C1CC(=COC1)Br DA-37788 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.3 C1COCC=C1Br DA-39895 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.3 C=C1CCOCC1 DA-42620 [0,0,0,1,0,0|3,0,0]=4 46 B4R0.2 CSCCI DA-47993 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.2 CC(CN(C)C)N DA-46451 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.2 C\C(=C\C(=O)C)\[O-] DA-34907 [1,1,0,0,0,0|0,0,2]=4 49 B6R0.3 CCC(C(=O)N)Cl DA-26397 [1,1,0,0,0,0|1,0,0]=3 50 B6R0.3 CCC(C)C(C)N DA-23377 [1,1,0,0,0,0|1,0,1]=4 51 B6R0.4 C=CCCC(=O)Cl DA-39003 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.4 CC(=C)CCC#N DA-39108 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.4 CC(=C)CCC=O DA-39109 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.4 CC(=O)OCC=O DA-27942 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.4 CC(C)CCCCl DA-29542 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.6 CCC[Sn+2]CCC DA-34908 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.6 CCNCCOC DA-42706 [1,1,0,0,0,0|0,1,1]=4 58 B6R0.6 CCOCCNC DA-26269 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.2 CC(C(=O)C(=O)OC)Br DA-32725 [0,2,0,0,0,0|0,1,1]=4 60 B8R0.5 CC(=O)NC(=O)CCCl DA-42416 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.5 CC(C)OC(=O)COC DA-33490 [0,2,0,0,0,0|1,1,0]=4 62 B8R0.5 CCOC(=O)CN(C)N DA-34609 [0,2,0,0,0,0|1,1,0]=4 63 B8R0.19 CC(CC(=O)OC)CBr DA-23140 [0,2,0,0,0,0|0,1,0]=3 64 B8R0.19 CNC(=O)CC(=O)OC DA-32818 [0,2,0,0,0,0|0,1,1]=4 65 B8R0.23 CC(C)CC(=O)C(=O)C DA-37135 [0,2,0,0,0,0|1,0,0]=3 66 B8R0.1 CCC#CC(=O)OCC DA-25724 [0,2,0,0,0,0|0,1,1]=4 67 B8R0.1 CCOC(=O)C#CCO DA-33872 [0,2,0,0,0,0|2,0,0]=4 68 B8R0.1 CCOC(=O)CCC=O DA-23087 [0,2,0,0,0,0|0,1,1]=4 69 B8R0.1 CCOC(=O)NCC#C DA-33640 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.1 CCOCC(=O)CC#N DA-39460 [0,2,0,0,0,0|1,0,1]=4 71 B8R0.3 CC(CCBr)C(=O)OC DA-23145 [0,2,0,0,0,0|0,1,0]=3 72 B8R0.3 CCCC(=O)C(=O)CC DA-24673 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.3 CCOC(=O)C(SC)Cl DA-34318 [0,2,0,0,0,0|1,0,0]=3 74 B8R0.3 COC(=O)C(CC#C)N DA-33025 [0,2,0,0,0,0|0,1,1]=4 75 B8R0.6 C(CC#N)CC(=O)CCl DA-36265 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.6 CCCC#CC(=O)OC DA-26182 [0,2,0,0,0,0|0,1,0]=3 77 B8R0.6 CCCCCC(=O)CBr DA-29678 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.6 COC(=O)CCCCN DA-32363 [0,2,0,0,0,0|0,1,0]=3 79 B8R0.6 COC(=O)CCCCO DA-32302 [0,2,0,0,0,0|0,1,0]=3 80 B8R0.6 COC(=O)CNCC=C DA-33139 [0,2,0,0,0,0|0,1,1]=4 81 B8R0.6 COCC#CC(=O)OC DA-32439 [0,2,0,0,0,0|0,1,1]=4 82 B8R0.8 CN(C)C(=O)CCC#C DA-42188 [0,2,0,0,0,0|1,0,1]=4 83 B8R0.9 CC(C)CCC(=O)CBr DA-29606 [0,2,0,0,0,0|2,0,0]=4 84 B8R0.9 CC(C)NNC(=O)OC DA-28771 [0,2,0,0,0,0|1,1,0]=4 85 B8R0.9 CC(CCC(=O)OC)I DA-40744 [0,2,0,0,0,0|0,1,0]=3 86 B8R0.9 CC(CNC(=S)SC)O DA-32958 [0,2,0,0,0,0|0,1,0]=3 87 B8R0.9 CCC(=O)NCC(C)C DA-42026 [0,2,0,0,0,0|1,0,0]=3 88 B8R0.14 CCOC(=O)C(C)(C)N DA-34362 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.13 CC(C)(CN)C(=O)OC DA-32919 [0,2,0,0,0,0|1,1,0]=4 90 B8R0.20 CCC(CC)C(=O)CBr DA-29657 [0,2,0,0,0,0|2,0,0]=4 91 B6R1.2 CC1=NNCC1 DA-22085 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.8 C=C1CC1CBr DA-30696 [1,0,0,1,0,0|2,0,0]=4 93 B6R1.10 CC1(CCC1)O DA-29143 [1,0,0,1,0,0|0,0,2]=4 94 B6R1.6 CNC1CCC1 DA-42717 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.1 C1C(COC1=O)CO DA-34846 [0,1,0,1,0,0|0,1,0]=3 96 B8R1.1 CC1CN=C(S1)SC DA-21967 [0,1,0,1,0,0|0,1,0]=3 97 B8R1.4 CC1=CC(CCC1)Cl DA-23862 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.4 CC1CCCC(=O)O1 DA-41276 [0,1,0,1,0,0|0,1,0]=3 99 B8R1.4 CN1CCCC(=O)C1 DA-29192 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.18 CN1CC(CC1=O)N DA-21489 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.51 CC1(CCC(=O)C1)C DA-24789 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.83 CC1C(O1)C(=O)OC DA-32664 [0,1,0,1,0,0|0,1,0]=3 103 B8R1.2 C1CSCC(=C1)C=O DA-38256 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.3 CC1=CCC(CC1)N DA-42007 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.3 CC1CNC(=O)CO1 DA-36000 [0,1,0,1,0,0|1,0,0]=3 106 B8R1.5 C1COCC(=O)N1N DA-21437 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.5 C1COCC(C1=O)O DA-41566 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.5 CC1=CCCCC1Br DA-42500 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.5 CC1C(=O)NCCO1 DA-25909 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.5 CC1COCCC1=O DA-46235 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.5 CN1CCNCC1=O DA-29215 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.13 CCCC1CCC1=O DA-25683 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.22 C1CNCC(=O)NC1 DA-30234 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.22 C1COCCNC1=O DA-48241 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.38 CNC(=O)C1CNC1 DA-41080 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.19 CC1(CCNC1=O)C DA-24797 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.54 CC(C(=O)C1CC1)Br DA-26914 [0,1,0,1,0,0|1,0,0]=3 118 B8R1.11 CCc1c(=O)[nH]sn1 DA-39452 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.39 CC1(CC1)C(=O)CBr DA-26987 [0,1,0,1,0,0|2,0,0]=4