0 B11R1.16 CCOC(=O)C1CC=CCC1 2423-1-0H [0,0,0,0,0,0|0,0,2]=2 1 B11R1.16 CCOC(=O)C1CCC=CO1 2H23-1-61 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.16 CCOC(=O)C1CCCCN1 4H58-1-87 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.16 CCOC(=O)C1CCNCC1 4H56-1-X4 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.16 CCOC(=O)C1CCOCC1 2H23-1-0T [0,0,0,0,0,0|1,0,0]=1 5 B11R1.16 CCOC(=O)C1CNCCO1 4H23-1-6W [0,0,0,0,0,0|2,0,0]=2 6 B11R1.16 CCOC(=O)C1COCCN1 4H23-5-2V [0,0,0,0,0,0|2,0,0]=2 7 B11R1.16 CCOC(=O)C1CSCCN1 8H70-1-Z8 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.16 CCOC(=O)C1CSCCN1 8H70-5-Y4 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.16 CCOC(=O)C1OCCCO1 2H23-1-1P [0,0,0,0,0,0|2,0,0]=2 10 B11R1.16 CCOC(=O)N1CCCCC1 4H56-1-06Z [0,0,0,0,0,0|1,0,0]=1 11 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 4H23-5-S6 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 4H22-1-65 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.16 CCOC(=O)[C@H]1CCCCN1 4H23-5-R6 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.16 CCOC(=O)[C@H]1CCCNC1 4H22-1-66 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.16 N#CCC(=O)C1CCCCC1 4237-1-0J [0,0,0,0,0,0|2,0,1]=3 16 B11R1.16 NC(CCO)C1CCCCC1 4256-1-44 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.16 O=C=NC(=O)C1CCCCC1 4249-1-06 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.15 CCC(=O)N1CCNCC1 4H48-5-C5 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.15 CNC(=O)C1CC=CCC1 4448-1-03 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.15 COC(=O)C1=CCNCC1 4H23-5-5L [1,0,0,0,0,0|1,0,2]=4 21 B10R1.15 COC(=O)C1=COCCC1 2H23-1-68 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.15 COC(=O)C1CCCCC1 2223-1-56 [1,0,0,0,0,0|0,0,0]=1 23 B10R1.15 COC(=O)C1CCCCN1 4H23-1-9K [1,0,0,0,0,0|1,0,0]=2 24 B10R1.15 COC(=O)C1CCCCO1 2H23-1-1D [1,0,0,0,0,0|1,0,0]=2 25 B10R1.15 COC(=O)C1CCCNC1 4H58-1-YW [1,0,0,0,0,0|1,0,0]=2 26 B10R1.15 COC(=O)C1CCCOC1 2H23-1-45 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.15 COC(=O)C1CCSCC1 6H66-1-0E [1,0,0,0,0,0|1,0,0]=2 28 B10R1.15 COC(=O)C1CNCCO1 4H23-1-59 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.15 COC(=O)C1CNCCO1 4H56-5-JH [1,0,0,0,0,0|2,0,0]=3 30 B10R1.15 COC(=O)C1COCCN1 4H23-1-J3 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.15 COC(=O)C1COCCN1 4H58-5-8X [1,0,0,0,0,0|2,0,0]=3 32 B10R1.15 COC(=O)N1CCCCC1 4H56-1-08A [1,0,0,0,0,0|1,0,0]=2 33 B10R1.15 COC(=O)N1CCNCC1 4H56-1-0BZ [1,0,0,0,0,0|2,0,0]=3 34 B10R1.15 COC(=O)[C@@H]1CCCCN1 4H56-5-S1 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.15 COC(=O)[C@@H]1CCCNC1 4H23-1-R5 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.15 COC(=O)[C@H]1CCCCN1 4H56-5-R1 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.15 N=C(NO)C1CCCCC1 4247-1-14 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.15 NC(CO)C1CCCCC1 4256-5-0G [1,0,0,0,0,0|2,0,1]=4 39 B10R1.15 NNC(=O)C1CCOCC1 4H56-1-398 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.15 N[C@@H](CO)C1CCCCC1 4256-1-38 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.17 CCCCC1CCCCN1 3H33-5-1V [1,0,0,0,0,0|2,0,1]=4 42 B10R1.17 CCCCC1CCNCC1 3H31-5-21 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.17 CCCNC1CCOCC1 4H31-1-1D [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 CCCOC1CCNCC1 4H33-5-0D [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 CC\C=C\N1CCCCC1 3H32-1-GM [1,0,0,0,0,0|2,0,0]=3 46 B10R1.17 NCCOC1CCCCC1 4233-5-01 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.17 OCCCC1CCCCC1 2201-1-0C [1,0,0,0,0,0|2,0,1]=4 48 B10R1.17 OCCNC1CCCCC1 4256-1-99 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 OCCOC1CCCCC1 2207-1-02 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.16 C=C1CCC(C(=O)OCC)CC1 2223-1-0G [0,1,0,0,0,0|0,0,1]=2 51 B12R1.16 CCOC(=O)C1CCC(O)CC1 2229-1-1R [0,1,0,0,0,0|0,0,0]=1 52 B12R1.16 CCOC(=O)N1CCC(=O)CC1 4H56-1-7W [0,1,0,0,0,0|1,0,1]=3 53 B12R1.16 CCOC(=O)N1CCC(Cl)CC1 4H56-5-PP [0,1,0,0,0,0|1,0,0]=2 54 B12R1.16 CCOC(=O)N1CCC(N)CC1 4H51-1-X9 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.16 CCOC(=O)[C@H]1CC[C@H](N)CC1 4258-5-E0 [0,1,0,0,0,0|0,0,0]=1 56 B12R1.16 CCOC(=O)[C@H]1CC[C@H](O)CC1 2229-1-1F [0,1,0,0,0,0|0,0,0]=1 57 B12R1.16 CCOC(=O)[C@H]1CC[C@H](O)CO1 2H29-1-47 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.17 CCOC(=O)C1CCCC(O)C1 2229-1-1E [0,1,0,0,0,0|0,0,0]=1 59 B12R1.17 CCOC(=O)N1CCCC(=O)C1 4H56-1-08C [0,1,0,0,0,0|1,0,1]=3 60 B12R1.17 CCOC(=O)[C@H]1C[C@H](C)CCN1 4H23-5-10 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.17 CCOC(=O)[C@H]1C[C@H](C)CCN1 4H58-1-52 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.30 CCCNC(=O)C1CCNCC1 4H48-1-06X [0,1,0,0,0,0|2,0,0]=3 63 B12R1.107 CC(C)OC(=O)C1CCCCC1 2223-1-0X [0,1,0,0,0,0|0,0,0]=1 64 B12R1.308 CCOC(=O)C1=C(C)OCCC1 2H23-1-40 [0,1,0,0,0,0|1,0,2]=4 65 B12R1.308 CCOC(=O)C1=C(N)CCCC1 4458-1-08 [0,1,0,0,0,0|0,0,2]=3 66 B12R1.308 CCOC(=O)C1CCCCC1O 2229-1-1Q [0,1,0,0,0,0|0,0,0]=1 67 B12R1.308 CCOC(=O)C1CCCCN1C 4H23-1-HH [0,1,0,0,0,0|1,0,0]=2 68 B12R1.308 CCOC(=O)C1CCCNC1C 4H23-5-1X [0,1,0,0,0,0|1,0,0]=2 69 B12R1.308 CCOC(=O)C1CCCSC1=O 6H29-1-10 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.308 CCOC(=O)C1CCOCC1=O 2H29-1-29 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.308 CCOC(=O)C1CNCCC1=O 4H29-5-03 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O 2229-1-1A [0,1,0,0,0,0|0,0,0]=1 73 B12R1.308 CCOC(=O)[C@H]1CCCN[C@@H]1C 4H23-5-1U [0,1,0,0,0,0|1,0,0]=2 74 B12R1.1595 CCOC(=O)C1(O)CCCCC1 2229-1-0V [0,1,0,0,0,0|0,0,0]=1 75 B10R0.1 C=CCCCCC(=O)OCC 2324-1-22 [0,0,1,0,0,0|0,0,2]=3 76 B10R0.19 CCCCC(=O)C(=O)OCC 2129-1-48 [0,0,1,0,0,0|1,0,1]=3 77 B10R0.19 CCCCC(Br)C(=O)OCC 2123-9-28 [0,0,1,0,0,0|1,0,0]=2 78 B10R0.19 CCOC(=O)[C@@H](N)CCSC 8166-5-01 [0,0,1,0,0,0|2,0,0]=3 79 B10R0.19 CCO\C=C(/C)C(=O)OCC 2324-1-07 [0,0,1,0,0,0|1,0,2]=4 80 B12R2.2 C1COC(N2CCNCC2)=N1 3H31-1-32 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.8 O=C1NCCC12CCNCC2 4H48-1-QN [0,0,0,1,0,0|2,0,0]=3 82 B12R2.13 O=C1CC(=O)C12CCCCC2 2218-1-0A [0,0,0,1,0,0|2,0,1]=4 83 B12R2.1479 CCOC(=O)C1C2CNCC21 4H58-5-6U [0,0,0,1,0,0|1,0,0]=2 84 B12R2.1479 [C@@H]12CNC[C@@H]1C2C(=O)OCC 4H58-1-7G [0,0,0,1,0,0|1,0,0]=2 85 B12R2.2028 O=C1NC(=O)C2CCCCC12 4H48-1-049 [0,0,0,1,0,0|2,0,1]=4 86 B12R2.2028 O=C1NC(=O)[C@@H]2CCCC[C@H]12 4H18-1-0G [0,0,0,1,0,0|2,0,1]=4 87 B12R2.2028 O=C1OC(=O)C2CCCCC12 2H26-1-06 [0,0,0,1,0,0|1,0,1]=3 88 B12R2.2075 O=C(C1CC1)N2CCNCC2 4H48-5-X8 [0,0,0,1,0,0|3,0,0]=4 89 B10R1.11 CCNC(=O)[C@@H]1CCCN1 4158-5-SV [0,0,0,0,1,0|2,0,0]=3 90 B10R1.11 CCOC(=O)C1CC=CC1 2423-1-0D [0,0,0,0,1,0|0,0,2]=3 91 B10R1.11 CCOC(=O)C1CCCO1 2H23-1-1B [0,0,0,0,1,0|1,0,0]=2 92 B10R1.11 CCOC(=O)C1CCNC1 4H58-5-BG [0,0,0,0,1,0|1,0,0]=2 93 B10R1.11 CCOC(=O)C1SCCS1 6H23-1-26 [0,0,0,0,1,0|2,0,0]=3 94 B10R1.11 CCOC(=O)[C@@H]1CCNC1 4H58-1-9V [0,0,0,0,1,0|1,0,0]=2 95 B10R1.11 CCOC(=O)[C@@H]1CCNC1 4H58-5-R7 [0,0,0,0,1,0|1,0,0]=2 96 B10R1.11 CCOC(=O)[C@@H]1CSCN1 8H23-5-R0 [0,0,0,0,1,0|2,0,0]=3 97 B10R1.11 CCOC(=O)[C@H]1CCCN1 4H58-5-RF [0,0,0,0,1,0|1,0,0]=2 98 B10R1.11 CCOC(=O)[C@H]1CCNC1 4H58-1-9U [0,0,0,0,1,0|1,0,0]=2 99 B10R1.11 CCOC(=O)[C@H]1CCNC1 4H58-5-S7 [0,0,0,0,1,0|1,0,0]=2 100 B12R1.32 CCOC(=O)C=C1CCCCC1 2223-1-0E [0,0,0,0,0,1|0,0,1]=2 101 B12R1.32 CCOC(=O)CC1CCCCN1 4H23-1-DG [0,0,0,0,0,1|1,0,0]=2 102 B12R1.32 CCOC(=O)CC1CCCNC1 4H58-5-C0 [0,0,0,0,0,1|1,0,0]=2 103 B12R1.32 CCOC(=O)CN1CCCCC1 4H23-1-7M [0,0,0,0,0,1|1,0,0]=2 104 B12R1.32 CCOC(=O)CN1CCOCC1 4H23-1-DS [0,0,0,0,0,1|2,0,0]=3 105 B12R1.32 CCOC(=O)C[C@@H]1CCCCN1 4H33-5-S3 [0,0,0,0,0,1|1,0,0]=2 106 B12R1.32 CCOC(=O)C[C@H]1CCCCN1 4H23-1-R0 [0,0,0,0,0,1|1,0,0]=2 107 B12R1.32 CCOC(=O)\C=C1\CCCNC1 4H23-5-19 [0,0,0,0,0,1|1,0,1]=3 108 B12R1.1564 CCOC(=O)C1CCCCCC1 2223-1-59 [0,0,0,0,0,1|0,0,0]=1 109 B9R0.5 C=CCCCC(=O)OCC 2323-1-13 [1,0,1,0,0,0|0,0,2]=4 110 B9R0.5 CCC\C=C\C(=O)OCC 2124-1-01 [1,0,1,0,0,0|0,0,2]=4 111 B9R0.5 CCOC(=O)CCCC=O 2123-1-73 [1,0,1,0,0,0|1,0,1]=4 112 B9R0.5 CCOC(=O)CCCCBr 2123-9-33 [1,0,1,0,0,0|1,0,0]=3 113 B9R0.5 CCOC(=O)CCCCI 2123-H-01 [1,0,1,0,0,0|1,0,0]=3 114 B9R0.5 CCOC(=O)CCCCO 2129-1-60 [1,0,1,0,0,0|1,0,0]=3 115 B9R0.5 CCOC(=O)OCCCCl 2128-5-0N [1,0,1,0,0,0|2,0,0]=4 116 B9R0.5 CC\C=C\CC(=O)OCC 2324-1-24 [1,0,1,0,0,0|0,0,2]=4 117 B9R0.45 CCCCCCCCCC 1100-1-38 [1,0,1,0,0,0|1,0,1]=4 118 B9R0.45 CCCCCC\C=C/CO 2301-1-Z0 [1,0,1,0,0,0|2,0,0]=4 119 B9R0.46 CCCCCCC(=O)CC 2117-1-08 [1,0,1,0,0,0|0,0,0]=2 120 B9R0.46 CCCCCCC(O)CC 2102-1-10 [1,0,1,0,0,0|0,0,2]=4 121 B9R0.46 COC(=O)COCCCCl 2123-5-0Q [1,0,1,0,0,0|2,0,0]=4 122 B9R0.46 COC(=O)COCCCF 2123-3-6L [1,0,1,0,0,0|2,0,0]=4 123 B9R0.8 CCCCC(Br)C(=O)OC 2123-9-27 [1,0,1,0,0,0|1,0,0]=3 124 B9R0.8 CCCCC(C)C(C)CC 1100-1-30 [1,0,1,0,0,0|1,0,1]=4 125 B9R0.8 CCCC[C@@H](N)C(=O)OC 4158-5-RM [1,0,1,0,0,0|1,0,0]=3 126 B9R0.8 CCCC[C@H](N)C(=O)OC 4158-5-SM [1,0,1,0,0,0|1,0,0]=3 127 B9R0.8 COC(=O)[C@@H](N)CCSC 8166-5-S0 [1,0,1,0,0,0|2,0,0]=4 128 B9R0.8 COC(=O)[C@H](N)CCSC 8166-5-R0 [1,0,1,0,0,0|2,0,0]=4 129 B9R0.35 C=CCC(C)C(=O)OCC 2323-1-12 [1,0,1,0,0,0|0,0,2]=4 130 B9R0.35 CCCC(=O)C(=O)OCC 2129-1-1D [1,0,1,0,0,0|1,0,1]=4 131 B9R0.35 CCCC(=O)C(O)CCC 2120-1-06 [1,0,1,0,0,0|2,0,0]=4 132 B9R0.35 CCC[C@H](N)C(=O)OCC 4158-5-SQ [1,0,1,0,0,0|1,0,0]=3 133 B9R0.37 CCOC(=O)C(C#N)CC 4137-1-X1 [1,0,1,0,0,0|1,0,1]=4 134 B9R1.6 CC(=O)C1CCCCC1 2217-1-X2 [2,0,0,0,0,0|0,0,0]=2 135 B9R1.6 CC(=O)C1CCCCN1 4H17-1-9U [2,0,0,0,0,0|1,0,0]=3 136 B9R1.6 CC(=O)C1CCCNC1 4H17-5-3L [2,0,0,0,0,0|1,0,0]=3 137 B9R1.6 CC(=O)C1CCNCC1 4H17-5-3M [2,0,0,0,0,0|1,0,0]=3 138 B9R1.6 CC(=O)N1CCCCC1 4H48-1-0A1 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.6 CC(=O)N1CCOCC1 4H48-1-JK [2,0,0,0,0,0|2,0,0]=4 140 B9R1.6 CN(C)C1CCCCC1 3232-1-00 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.6 N=C(N)C1CCCCC1 3241-5-03 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.6 NC(=O)C1CCCCC1 4248-1-X2 [2,0,0,0,0,0|1,0,0]=3 143 B9R1.6 NC(=O)C1CCCCN1 4H48-1-01R [2,0,0,0,0,0|2,0,0]=4 144 B9R1.6 NC(=O)[C@@H]1CCCNC1 4H48-1-8A [2,0,0,0,0,0|2,0,0]=4 145 B9R1.6 NC(=O)[C@@H]1CCCNC1 4H48-5-R0 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.6 NC(=O)[C@H]1CCCNC1 4H48-1-9A [2,0,0,0,0,0|2,0,0]=4 147 B9R1.6 NC(=O)[C@H]1CCCNC1 4H48-5-64 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.6 O=C(Cl)C1CCCCO1 2H16-5-18 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.6 O=C(Cl)N1CCCCC1 4H16-5-0S [2,0,0,0,0,0|2,0,0]=4 150 B9R1.6 O=C(O)C1CCCCC1 2221-1-22 [2,0,0,0,0,0|0,0,0]=2 151 B9R1.6 O=C(O)C1CCCCO1 2H21-1-0Y [2,0,0,0,0,0|1,0,0]=3 152 B9R1.6 O=C(O)C1CCCNC1 4H57-1-W6 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.6 O=C(O)C1CCCSC1 6H66-1-41 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.6 O=C(O)C1CCNCC1 4H21-5-66 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.6 O=C(O)C1CCSCC1 6H21-1-Y0 [2,0,0,0,0,0|1,0,0]=3 156 B9R1.6 O=C(O)C1CNCCN1 4H57-1-27 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.6 O=C(O)C1CNCCN1 4H57-5-05 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.6 O=C(O)C1CNCCO1 4H58-1-011 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.6 O=C(O)C1CSCCN1 8H21-5-01 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.6 O=C(O)[C@@H]1CCCCN1 4H58-1-SE [2,0,0,0,0,0|1,0,0]=3 161 B9R1.6 O=C(O)[C@@H]1CNCCO1 4H58-5-SA [2,0,0,0,0,0|2,0,0]=4 162 B9R1.6 O=C(O)[C@@H]1COCCN1 4H56-1-S55 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.6 O=C(O)[C@@H]1COCCN1 4H58-5-S9 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.6 O=C(O)[C@H]1CCCNC1 4H57-1-S1 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.6 O=C(O)[C@H]1CNCCN1 4H57-1-R3 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.6 O=C(O)[C@H]1COCCN1 4H21-1-29 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.8 C=COC1CCCCC1 2307-1-09 [2,0,0,0,0,0|0,0,2]=4 168 B9R1.8 CCCC1CCCCN1 3H31-1-AM [2,0,0,0,0,0|1,0,1]=4 169 B9R1.8 CCCC1CCNCC1 3H31-1-Q5 [2,0,0,0,0,0|1,0,1]=4 170 B9R1.8 CCN[C@@H]1CCCNC1 3H31-5-R1 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.8 CCOC1CCCNC1 4H07-1-3T [2,0,0,0,0,0|1,0,0]=3 172 B9R1.8 CNCC1CCCCC1 3231-1-0C [2,0,0,0,0,0|1,0,1]=4 173 B9R1.8 COCC1CCCCN1 4H07-1-6G [2,0,0,0,0,0|1,0,1]=4 174 B9R1.8 COCC1CCCNC1 4H07-5-1E [2,0,0,0,0,0|1,0,1]=4 175 B9R1.8 COCC1CCCNC1 4H56-1-964 [2,0,0,0,0,0|1,0,1]=4 176 B9R1.8 COCC1CCNCC1 4H56-1-0S1 [2,0,0,0,0,0|1,0,1]=4 177 B9R1.8 ClCCC1CCCCC1 1200-5-15 [2,0,0,0,0,0|1,0,1]=4 178 B9R1.8 ClCOC1CCCCC1 2207-5-00 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.8 NCCC1CCCCC1 3233-5-02 [2,0,0,0,0,0|1,0,1]=4 180 B9R1.8 NOCC1CCCCC1 4247-1-01 [2,0,0,0,0,0|1,0,1]=4 181 B9R1.8 OCCC1CCCCC1 2201-1-0F [2,0,0,0,0,0|1,0,1]=4 182 B11R0.4 CCCCSCCC(=O)OCC 6166-1-10 [0,1,1,0,0,0|0,0,0]=2 183 B11R0.155 CCOC(=O)C(N)CCCCN 4158-5-38 [0,1,1,0,0,0|1,0,0]=3 184 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 4158-5-S5 [0,1,1,0,0,0|1,0,0]=3 185 B11R0.176 C=C(Br)CCCCC(=O)OCC 2324-9-01 [0,1,1,0,0,0|0,0,2]=4 186 B11R0.176 C=C(C)CCCCC(=O)OCC 2324-1-19 [0,1,1,0,0,0|0,0,1]=3 187 B11R0.176 C=C(Cl)CCCCC(=O)OCC 2324-5-06 [0,1,1,0,0,0|0,0,2]=4 188 B11R1.12 CCN(CC)C1CCCCC1 3232-1-04 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.22 COC(=O)C1CCC(=O)CC1 2229-1-1B [1,1,0,0,0,0|0,0,1]=3 190 B11R1.22 COC(=O)C1CCC(=O)NC1 4H58-1-A2 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.22 COC(=O)C1CCC(C)NC1 4H56-5-97 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.22 COC(=O)C1CCN(C)CC1 4H23-1-GZ [1,1,0,0,0,0|1,0,0]=3 193 B11R1.22 COC(=O)N1CCC(O)CC1 4H56-1-264 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 4H33-5-1F [1,1,0,0,0,0|1,0,0]=3 195 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 2229-1-61 [1,1,0,0,0,0|0,0,0]=2 196 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 2229-1-1H [1,1,0,0,0,0|0,0,0]=2 197 B11R1.23 COC(=O)C1CCCC(=O)C1 2223-1-0J [1,1,0,0,0,0|0,0,1]=3 198 B11R1.23 COC(=O)C1CCCC(O)C1 2229-1-1M [1,1,0,0,0,0|0,0,0]=2 199 B11R1.23 COC(=O)C1CCCN(C)C1 4H23-1-CU [1,1,0,0,0,0|1,0,0]=3 200 B11R1.23 COC(=O)C1CCNC(=O)C1 4H48-1-58 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 4233-5-03 [1,1,0,0,0,0|0,0,0]=2 202 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 4256-5-0L [1,1,0,0,0,0|0,0,0]=2 203 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 4H58-5-B0 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 4258-5-0D [1,1,0,0,0,0|1,0,0]=3 205 B11R1.23 COC(=O)[C@H]1CNC[C@H](C)C1 4H23-1-R1 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.36 CC(C)C(=O)N1CCNCC1 4H48-1-N4 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.36 CN(C)C(=O)C1CCNCC1 4H48-5-FY [1,1,0,0,0,0|2,0,0]=4 208 B11R1.36 O=C(O)C(=O)C1CCCCC1 2229-1-1W [1,1,0,0,0,0|1,0,1]=4 209 B11R1.222 COC(=O)C1CCCCC1=O 2229-1-1D [1,1,0,0,0,0|0,0,1]=3 210 B11R1.222 COC(=O)C1CSCCC1=O 6H29-1-0D [1,1,0,0,0,0|1,0,1]=4 211 B11R1.878 COC(=O)C1(C)CCCCC1 2223-1-0S [1,1,0,0,0,0|0,0,0]=2 212 B11R1.878 COC(=O)C1(C)CCCCN1 4H23-1-JL [1,1,0,0,0,0|1,0,0]=3 213 B11R1.878 COC(=O)C1(C)CCCNC1 4H58-1-E8 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.878 COC(=O)C1(C)CCNCC1 4H23-1-JF [1,1,0,0,0,0|1,0,0]=3 215 B11R1.878 COC(=O)C1(C)CCOCC1 2H23-1-48 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.878 COC(=O)C1(N)CCCCC1 4230-1-01 [1,1,0,0,0,0|0,0,0]=2 217 B11R1.878 COC(=O)C1(N)CCOCC1 4H58-1-US [1,1,0,0,0,0|1,0,0]=3 218 B11R1.878 COC(=O)C1(O)CCOCC1 2H29-1-49 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.878 COC(=O)[C@@]1(C)COCCN1 4H23-5-R7 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.1 CCCCC1CCC(O)CC1 2202-1-1D [1,1,0,0,0,0|1,0,1]=4 221 B11R1.40 CCC(=O)OC1CCCCC1 2223-1-0W [1,1,0,0,0,0|2,0,0]=4 222 B11R1.91 CC(=O)OCC1CCCCC1 2223-1-0V [1,1,0,0,0,0|0,0,2]=4 223 B11R1.15 CCOC(=O)C1CCN(C)C1 4H23-1-DE [0,1,0,0,1,0|1,0,0]=3 224 B11R1.15 CCOC(=O)C1CNC(=O)C1 4H48-1-YX [0,1,0,0,1,0|1,0,1]=4 225 B11R1.15 CCOC(=O)[C@@H]1CC(C)CN1 4H58-1-SB [0,1,0,0,1,0|1,0,0]=3 226 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 4H58-1-216 [0,1,0,0,1,0|1,0,1]=4 227 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 4H58-1-R11 [0,1,0,0,1,0|1,0,1]=4 228 B11R1.199 CCOC(=O)C1=C(N)CCC1 4456-1-0A [0,1,0,0,1,0|0,0,2]=4 229 B11R1.199 CCOC(=O)C1CCCC1=O 2229-1-20 [0,1,0,0,1,0|0,0,1]=3 230 B11R1.199 CCOC(=O)C1CCCC1O 2229-1-0H [0,1,0,0,1,0|0,0,0]=2 231 B11R1.199 CCOC(=O)C1CSCC1=O 6H23-1-0T [0,1,0,0,1,0|1,0,1]=4 232 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 4230-1-02 [0,1,0,0,1,0|0,0,0]=2 233 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 4258-5-20 [0,1,0,0,1,0|0,0,0]=2 234 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 4258-5-0A [0,1,0,0,1,0|0,0,0]=2 235 B11R1.819 CCOC(=O)C1(N)CCCC1 4158-1-0Z [0,1,0,0,1,0|0,0,0]=2 236 B11R1.819 CCOC(=O)C1(O)CCCC1 2229-1-1Y [0,1,0,0,1,0|0,0,0]=2 237 B13R1.19 CCOC(=O)CN1CCC(N)CC1 4H58-5-02 [0,1,0,0,0,1|1,0,0]=3 238 B13R1.19 CCOC(=O)CN1CCN(C)CC1 4H23-1-KS [0,1,0,0,0,1|2,0,0]=4 239 B13R1.44 C=CCOC(=O)NC1CCCNC1 4H51-3-03 [0,1,0,0,0,1|1,0,1]=4 240 B13R1.348 CC(C)NC(=O)N[C@H]1CCCNC1 4H53-5-S1 [0,1,0,0,0,1|2,0,0]=4 241 B13R1.470 CCOC(=O)CC1CCCCC1=O 2229-1-49 [0,1,0,0,0,1|0,0,1]=3 242 B13R1.2570 CCOC(=O)CC1(O)CCCCC1 2229-1-1T [0,1,0,0,0,1|0,0,0]=2 243 B13R1.463 CCOC(=O)C1CCCCCC1=O 2229-1-09 [0,1,0,0,0,1|0,0,0]=2 244 B13R1.463 CCOC(=O)C1CNCCCC1=O 4H58-5-6C [0,1,0,0,0,1|0,0,1]=3 245 B13R1.452 CCOC(=O)N1CCC(NC)CC1 4H56-1-07M [0,2,0,0,0,0|1,0,0]=3 246 B13R1.1511 CCOC(=O)C1CCC(C)CC1=O 2229-1-1U [0,2,0,0,0,0|0,0,1]=3 247 B13R1.12 CCOC(=O)C1CCCN(C)C1=O 4H29-1-4V [0,2,0,0,0,0|1,0,1]=4 248 B13R1.18 C=CCOC(=O)N1CCCC(N)C1 4H56-1-08T [0,2,0,0,0,0|1,0,1]=4 249 B13R1.352 CC(C)(C)NC(=O)C1CCNCC1 4H48-1-06R [0,2,0,0,0,0|2,0,0]=4 250 B13R1.352 CC(C)(C)OC(=O)C1CCCCN1 4H58-1-6E [0,2,0,0,0,0|1,0,0]=3 251 B13R1.352 CC(C)(C)OC(=O)C1CCCNC1 4H58-5-5Y [0,2,0,0,0,0|1,0,0]=3 252 B13R1.352 CC(C)(C)OC(=O)C1CCNCC1 4H23-1-HW [0,2,0,0,0,0|1,0,0]=3 253 B13R1.352 CC(C)(C)OC(=O)C1CCNCC1 4H58-5-5Z [0,2,0,0,0,0|1,0,0]=3 254 B13R1.352 CC(C)(C)OC(=O)N1CCSCC1 8H70-1-5R [0,2,0,0,0,0|2,0,0]=4 255 B13R1.4472 CCOC(=O)C1(C#N)CCCCC1 4237-1-07 [0,2,0,0,0,0|0,0,0]=2 256 B13R1.4472 [C-]#[N+]C1(C(=O)OCC)CCCCC1 4237-1-0M [0,2,0,0,0,0|0,0,0]=2 257 B11R1.30 CCOC(=O)CC1CCCO1 2H23-1-0X [0,0,1,1,0,0|1,0,0]=3 258 B11R1.30 CCOC(=O)CC1CCNC1 4H23-5-5K [0,0,1,1,0,0|1,0,0]=3 259 B11R1.30 CCOC(=O)CN1CCCC1 4H23-1-KQ [0,0,1,1,0,0|1,0,0]=3 260 B11R1.101 O=C1CCCCCCCCC1 2217-1-15 [0,0,1,1,0,0|1,0,0]=3 261 B11R1.230 CCCCC1CC(=O)OC1=O 2H26-1-0J [0,0,1,1,0,0|1,0,1]=4 262 B11R1.230 CCCCC1OC(=O)CC1C 2H25-1-3D [0,0,1,1,0,0|2,0,0]=4 263 B11R1.351 CCOC(=O)C(=O)CC1CC1 2229-1-1L [0,0,1,1,0,0|1,0,1]=4 264 B11R1.381 CCN1CCCC[C@H](N)C1=O 4H53-1-S6 [0,0,1,1,0,0|2,0,0]=4 265 B11R2.1 O=C1OC[C@H]2CNCCN12 4H25-5-R1 [1,0,0,1,0,0|2,0,0]=4 266 B11R2.12 O=C1NCC12CCNCC2 4H48-1-0AA [1,0,0,1,0,0|2,0,0]=4 267 B11R2.12 O=C1NCC12CCNCC2 4H48-5-AJ [1,0,0,1,0,0|2,0,0]=4 268 B11R2.20 C1CCC2NCCCC2C1 3H31-1-CV [1,0,0,1,0,0|2,0,0]=4 269 B11R2.20 [C@H]12CCCC[C@@H]1CCCN2 3H31-1-D2 [1,0,0,1,0,0|2,0,0]=4 270 B11R2.20 [C@H]12CCCC[C@H]1CNCC2 3H31-1-R4 [1,0,0,1,0,0|1,0,1]=4 271 B11R2.1261 C1CC2(CCN1)CCOC2 4H22-1-71 [1,0,0,1,0,0|1,0,1]=4 272 B11R2.1261 C1CC2(CCN1)CCOC2 4H31-1-2H [1,0,0,1,0,0|1,0,1]=4 273 B11R2.1261 C1CC2(CCN1)CCOC2 4H56-5-3H [1,0,0,1,0,0|1,0,1]=4 274 B11R2.3 O=C1NCCC12CCCN2 4H48-5-DP [0,0,0,1,1,0|2,0,0]=4 275 B13R2.15 O=C1CCCN1C2CCCCC2 4H48-1-04X [0,0,0,1,0,1|1,0,0]=3 276 B13R2.444 O=C(N[C@H]1CCCNC1)C2CC2 4H48-5-S3 [0,0,0,1,0,1|2,0,0]=4 277 B13R2.4014 C=C1OC(=O)OC12CCCCC2 2H28-1-03 [0,0,0,1,0,1|0,0,2]=4 278 B13R2.4014 O=C1CC2(CCCCC2)C(=O)O1 2H26-1-00 [0,0,0,1,0,1|1,0,1]=4 279 B13R2.11128 O=C1CC2(CCNCC2)CCN1 4H48-1-DA [0,0,0,1,0,1|2,0,0]=4 280 B13R2.4023 O=C1OC(O)C2=C1CCCCC2 2H25-1-58 [0,0,0,1,0,1|1,0,1]=4 281 B13R2.3 C1CCC(B2OCCCO2)CC1 6H60-1-98 [0,1,0,1,0,0|1,0,1]=4 282 B13R2.5102 O=C1OCCC12CCC(O)CC2 2H25-1-76 [0,1,0,1,0,0|0,0,0]=2 283 B13R2.5187 CC1CCC2C(=O)OC(=O)C2C1 2H26-1-03 [0,1,0,1,0,0|1,0,1]=4 284 B13R2.856 CCOC(=O)C1CC2CCC1N2 4H58-5-4S [0,1,0,1,0,0|0,0,0]=2 285 B13R2.14 O=C1NCCCC12CCNCC2 4H48-5-AL [0,1,0,1,0,0|2,0,0]=4 286 B9R1.11 CNC(=O)C1CCCN1 4H48-5-G1 [1,0,0,0,1,0|2,0,0]=4 287 B9R1.11 COC(=O)C1CCCO1 2H23-1-0J [1,0,0,0,1,0|1,0,0]=3 288 B9R1.11 COC(=O)C1CCOC1 2H23-1-44 [1,0,0,0,1,0|1,0,0]=3 289 B9R1.11 COC(=O)N1CCCC1 4H56-1-DL [1,0,0,0,1,0|1,0,0]=3 290 B9R1.11 COC(=O)[C@@H]1CCNC1 4H22-3-02 [1,0,0,0,1,0|1,0,0]=3 291 B9R1.11 COC(=O)[C@@H]1CCNC1 4H57-5-R2 [1,0,0,0,1,0|1,0,0]=3 292 B9R1.11 COC(=O)[C@@H]1CCOC1 2H23-1-R1 [1,0,0,0,1,0|1,0,0]=3 293 B9R1.11 COC(=O)[C@H]1CCNC1 4H22-3-03 [1,0,0,0,1,0|1,0,0]=3 294 B9R1.11 COC(=O)[C@H]1CCNC1 4H57-5-S2 [1,0,0,0,1,0|1,0,0]=3 295 B9R1.12 CC\C=C\N1CCCC1 3H32-H-0H [1,0,0,0,1,0|2,0,0]=4 296 B9R1.73 CCOC(=O)C1CSC1 6H66-1-06 [0,0,0,0,2,0|1,0,0]=3 297 B11R1.852 COC(=O)C1CCCCCC1 2223-1-60 [1,0,0,0,0,1|0,0,0]=2 298 B13R1.42 CCOC(=O)CCN1CCNCC1 4H23-1-W8 [0,0,0,0,0,2|2,0,0]=4 299 B13R1.1575 CCOC(=O)\C=C1\CCCCCN1 4H23-1-5J [0,0,0,0,0,2|0,0,1]=3