0 B7R0.3 COC(=O)CCC=C AB16906 [1,0,0,0,0,0|1,0,2]=4 1 B7R0.3 COC(=O)CCCO AB65249 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.5 CCOC(=O)C(=O)N AB00911 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.5 CCOC(=O)C(=S)N PB24589 [1,0,0,0,0,0|2,1,0]=4 7 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.5 CN1CCNCCC1=O AB49613 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.23 CN1CC(CC1=O)CN PB25187 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.40 CC1(CNCCC1=O)C PB31517 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.69 C[C@@H]1CNC(=O)[C@@H](N1)C AB72319 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C AB72313 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C AB72316 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.69 C[C@H]1CNC(=O)[C@H](N1)C AB72314 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.110 C1CC(C1)C(C(=O)O)N PB17607 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N PB16030 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.110 C1CC(C1)[C@H](C(=O)O)N PB27915 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.110 CC(=O)N(C)C1CNC1 PB32857 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.110 CN(C)C(=O)C1CNC1 PB16270 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.112 C1CC1C[C@@H](C(=O)O)N AB16716 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.163 C1CCC(C1)(C(=O)O)O CB10167 [0,0,0,1,0,0|1,0,2]=4 33 B9R0.4 CCCCC(CC(=O)O)N AB08231 [0,0,0,0,0,1|2,0,1]=4 34 B6R0.1 CCNC(=O)C=C CB10170 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.4 C=C(CCCCl)I MB13670 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.4 CC(=O)\C=C\OC AB00959 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.5 CCCC(CC(=O)O)N AB01975 [1,1,0,0,0,0|1,0,1]=4 38 B10R0.19 CCCCC(=O)C(=O)OCC PB13106 [0,2,0,0,0,0|0,0,0]=2 39 B8R1.1 C1C(CNC1=O)CN PB10686 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.1 C1C(CNC1=O)CO PB26709 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.1 C1[C@H](COC1=O)CF MB19704 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.2 C1CCNC(C1)C=O AB52540 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.2 C1CCOC(C1)C=O MB05934 [1,0,0,1,0,0|0,0,2]=4 47 B8R1.3 C1CC(=O)CCC1N AB26267 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.3 C1CC(=O)NCC1N PB22229 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.3 CC1CNC(=O)CN1 AB37204 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.3 CC1CNC(=O)CO1 AB71787 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.3 CN1CCC(=CC1)I AB70135 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.5 CC1CCNCC1=O PB36769 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.5 CC1CNCCC1=O PB23474 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.5 CC1COCCC1=O PB26907 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.5 CN1CCNCC1=O PB24934 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.22 C1CC(=O)CCNC1 PB26051 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.22 C1CNCC(=O)NC1 AB30280 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.22 C1CNCCNC1=O AB07054 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.38 C1CC(C1)C(=O)NN PB29240 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.38 COC(=O)C1CCN1 MB03946 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.38 COC(=O)C1CNC1 CB11044 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.38 COC(=O)C1CNC1 PB17252 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.38 COC(=O)[C@@H]1CCN1 PB15881 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.38 COC(=O)[C@H]1CCN1 PB33618 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.40 COC(=O)CC1CC1 PB20704 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.4 C1CNC(=O)CC1N PB11631 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.34 CC(=O)NC1CNC1 PB23547 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.34 CC(=O)SC1CNC1 PB19657 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [1,0,0,1,0,0|1,0,0]=3 82 B10R1.18 CC(=O)OC1CCCCS1 AB31207 [0,0,0,1,0,1|0,1,1]=4 83 B10R1.61 CC(=O)N1CCCCC1=O AB52501 [0,0,0,1,0,1|0,0,0]=2 84 B10R1.23 CC(=O)N(C)C1CCNC1 PB15630 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 PB26750 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 PB38867 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 PB24597 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 PB29885 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.13 CC(=O)N1CCC(CC1)N PB24800 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.13 CC(=O)N1CCC(CC1)O PB11970 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.15 COC(=O)C1=CCOCC1 PB14958 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.29 CCCCN1CCCC1=O AB01298 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.176 CN1CCC(CC1=O)CN PB16684 [0,1,0,1,0,0|2,0,0]=4 94 B10R1.176 CN1CCC(CC1=O)CO PB24273 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.186 CCCCOC(=O)C1CC1 AB14228 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.262 CCOC1CC(=O)C1(C)C PB24412 [0,1,0,1,0,0|1,0,1]=4 97 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,2,0,0|1,0,1]=4