0 B7R0.4 CC(C)CCN=C=O AB54602 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.4 CN(C)CCC[Mg]Cl AB55603 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.4 CN(C)CCN=C=O AB74241 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 CN(C)CCCBr AB52731 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.6 COCCN=C=O AB50988 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.21 C[Si](C)(C)CCOCCl AB01010 [0,1,0,0,0,0|1,1,1]=4 6 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.4 C1CNC(=O)CC1N PB11631 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.4 CC1CC(CCO1)O PB22789 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.6 CCOC1CC(C1)N PB35675 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.6 CCO[C@H]1C[C@@H](C1)N PB36228 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.6 CCO[C@H]1C[C@H](C1)N PB37547 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.7 CC(C)[C@@H]1CCCN1 AB58448 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.7 CC(C)[C@@H]1CCNC1 AB66437 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.7 CC(C)[C@H]1CCNC1 AB66440 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.22 C1CC(CCOC1)N AB70734 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.72 CC1(CCCCN1)C AB58454 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.72 CC1(CCNCC1)C AB17027 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.72 CC1(CCNCC1)C PB14098 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.72 CC1(CCOCC1)N PB22590 [0,0,0,1,0,0|2,0,1]=4 29 B5R0.1 C(CO)C(F)F AB76811 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 CC(C)N=C=O AB00193 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.2 COCCON MB08235 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.3 C[C@H](CO)OCOC AB53701 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.5 CC(C)C(CCO)N AB31007 [1,1,0,0,0,0|0,0,2]=4 34 B7R0.8 CC(C)(C)CN=C=O AB55247 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.1 CNCCCCC=C CB11323 [1,1,0,0,0,0|2,0,0]=4 36 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,2,0,0,0,0|1,0,0]=3 37 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,2,0,0,0,0|1,0,0]=3 38 B7R1.2 C1C(CNC1=O)N PB17844 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.2 C1[C@H](CNC1=O)O AB05836 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.2 C1[C@H](CNC1=O)S PB29198 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,1,0,0|1,0,0]=3 43 B7R1.3 C1COCCC1Br PB24975 [1,0,0,1,0,0|1,0,1]=4 44 B7R1.3 C1COCCC1Cl AB02848 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.3 C1COCCC1I PB13042 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.3 C1COCCC1N AB11128 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.3 C1COCCC1N PB27421 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.3 C1COCCC1O PB11583 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.3 CC1CCCNC1 AB00557 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.7 C1CC1CN=C=O AB71485 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.10 COC1CC(C1)N PB11210 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.10 CO[C@H]1C[C@@H](C1)N PB15524 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.10 CO[C@H]1C[C@@H](C1)N PB36079 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.10 CO[C@H]1C[C@H](C1)N PB16800 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.10 CO[C@H]1C[C@H](C1)N PB37429 [1,0,0,1,0,0|1,0,1]=4 56 B7R1.14 CC1(CCCN1)C PB25045 [1,0,0,1,0,0|1,0,1]=4 57 B7R1.14 CC1(CCNC1)C PB14755 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.14 CC1(CCOC1)N PB13539 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.23 C1C(C1(F)F)C=O AB68663 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.1 C1CCC(C1)C=O AB02400 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.6 C1C(CO1)CC=O PB14037 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.6 C1CC(C1)CC=O AB49507 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.6 C1CC(C1)N=C=O AB55242 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,1,0,1,0,0|1,0,0]=3 70 B9R1.53 C1C(CC1N)CC(=O)O PB36872 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.53 C1[C@@H](C[C@@H]1CC(=O)O)N PB38036 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.53 C1[C@@H](C[C@H]1CC(=O)O)N PB38407 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.53 CC(=O)NC1CC(C1)N PB34690 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.53 CC(=O)OC1CC(=O)C1 PB31624 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,1,0,1,0,0|1,0,0]=3 77 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.118 CC1(CCOCC1)CN PB34762 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.118 CC1(CCOCC1)CO PB31694 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.40 CC1(C(=O)NCCN1)C AB09796 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.40 CC1(C(=O)NCCO1)C AB71828 [0,1,0,1,0,0|1,0,0]=3 84 B9R1.40 CC1(CNCCC1=O)C PB31517 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,1,0,1,0,0|2,0,0]=4