0 B9R0.5 C=COC(=O)CCCCC 7945AF [0,0,0,0,0,0|0,0,2]=2 1 B9R0.5 CCCCCC(O)CCC 6654AL [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 CCOC(=O)COCCCl W3753 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.5 CCOC(=O)N\N=C\CCl 6833AE [0,0,0,0,0,0|3,0,1]=4 4 B8R0.1 C=CCCC(=O)OCC 7864AL [1,0,0,0,0,0|0,0,2]=3 5 B8R0.1 C=CCOC(=O)OCC 7327AL [1,0,0,0,0,0|1,0,2]=4 6 B8R0.1 CCCCC(O)CCC 7995AF [1,0,0,0,0,0|1,0,2]=4 7 B8R0.1 CCCOC(=O)CCC 9026AJ [1,0,0,0,0,0|2,0,0]=3 8 B8R0.1 CCOC(=O)CCC#N 7342AC [1,0,0,0,0,0|1,0,1]=3 9 B8R0.1 CCOC(=O)CCCI 1537AC [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 CCOC(=O)CCNC 7579AD [1,0,0,0,0,0|1,0,0]=2 11 B8R0.1 CCOC(=O)NCCCl S838 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.4 CCCCCCCCF V6056 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.4 CCCCCCON=O 8053AL [1,0,0,0,0,0|2,0,1]=4 14 B8R0.4 CCCCCOCCO 6511AH [1,0,0,0,0,0|3,0,0]=4 15 B8R0.4 CCCCNCCCC W7485 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.4 CCCC\C=C/CCO 7442AL [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 CC\C=C/CCCCO 7454AL [1,0,0,0,0,0|2,0,0]=3 18 B8R0.6 CCCCCC(=O)CC 6144AL [1,0,0,0,0,0|0,0,0]=1 19 B8R0.6 CCCCCC(=O)NN 8224AD [1,0,0,0,0,0|2,0,0]=3 20 B8R0.6 CCCCNC(=O)CC 8516AL [1,0,0,0,0,0|1,0,0]=2 21 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [1,0,0,0,0,0|0,0,2]=3 22 B8R0.6 COC(=O)CCCCN 3063AB [1,0,0,0,0,0|1,0,0]=2 23 B8R0.6 COC(=O)CCN=C=S 6385AD [1,0,0,0,0,0|2,0,1]=4 24 B8R0.6 COC(=O)COCCCl 2910AC [1,0,0,0,0,0|2,0,0]=3 25 B8R0.6 COCCOC(=O)CCl 7354AL [1,0,0,0,0,0|3,0,0]=4 26 B10R0.1 CCCCCCC(=O)CCC 9409AB [0,1,0,0,0,0|1,0,0]=2 27 B10R0.1 CCCCCOC(=O)CCC 7746AB [0,1,0,0,0,0|1,0,0]=2 28 B10R0.2 CCOC(=N)CC(=N)OCC 0828AA [0,1,0,0,0,0|2,0,1]=4 29 B10R0.3 CCCC(=O)CCCC(=O)O 1674AE [0,1,0,0,0,0|2,0,1]=4 30 B10R0.19 CCCCC(=O)C(=O)OCC W7093 [0,1,0,0,0,0|0,0,1]=2 31 B10R0.19 CCCCC(O)C(C)CCC V2239 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.19 CCOC(=O)C(N)CCSC 6640AH [0,1,0,0,0,0|1,0,0]=2 33 B10R0.19 CCOC(=O)[C@@H](N)CCSC E630 [0,1,0,0,0,0|1,0,0]=2 34 B10R0.19 CCOC(=O)[C@H](N)CCSC V7607 [0,1,0,0,0,0|1,0,0]=2 35 B10R0.83 CCCCCC(=O)N(C)OC 9830AB [0,1,0,0,0,0|2,0,0]=3 36 B10R0.91 CCCCCC(=O)OCCC 9028AJ [0,1,0,0,0,0|0,0,0]=1 37 B10R0.91 CCCCCC(O)CCCC 6764AL [0,1,0,0,0,0|1,0,2]=4 38 B10R1.10 CCCC1CCCC(=O)O1 R377 [0,0,0,1,0,0|2,0,0]=3 39 B10R1.11 CCNC(=O)[C@@H]1CCCN1 V6753 [0,0,0,1,0,0|2,0,0]=3 40 B10R1.11 CCOC(=O)C1SCCS1 0504AB [0,0,0,1,0,0|2,0,0]=3 41 B10R1.11 CCOC(=O)[C@@H]1CCCN1 V5249 [0,0,0,1,0,0|1,0,0]=2 42 B10R1.11 CNCC(=O)N1CCCC1 4377AD [0,0,0,1,0,0|3,0,0]=4 43 B10R1.11 NCCC(=O)N1CCCC1 7856AE [0,0,0,1,0,0|3,0,0]=4 44 B10R1.21 BrCCCCC1OCCO1 1141AJ [0,0,0,1,0,0|1,0,2]=4 45 B10R1.21 CCCCCC1=CC=CO1 4832AB [0,0,0,1,0,0|1,0,2]=4 46 B10R1.21 CCCNCC1CCCO1 1152AC [0,0,0,1,0,0|2,0,1]=4 47 B10R1.21 ClCCCCC1OCCO1 0179AP [0,0,0,1,0,0|1,0,2]=4 48 B10R1.78 O=C1CCCCCCCC1 3914AB [0,0,0,1,0,0|1,0,0]=2 49 B10R1.85 CCNC1CCCCCC1 3947AE [0,0,0,1,0,0|2,0,1]=4 50 B10R1.137 CCOC(=O)C=C1CCC1 2660AB [0,0,0,1,0,0|0,0,2]=3 51 B10R1.137 CCOC(=O)C=C1COC1 W9531 [0,0,0,1,0,0|1,0,2]=4 52 B10R1.137 CCOC(=O)CC1CCC1 4959AB [0,0,0,1,0,0|0,0,0]=1 53 B10R1.197 CCC1CCNC(=O)CC1 0938AE [0,0,0,1,0,0|1,0,0]=2 54 B10R1.377 CCC[N+]1(C)CCCCC1 4900AL [0,0,0,1,0,0|3,0,0]=4 55 B7R0.1 CCCCCCOC 8052AL [2,0,0,0,0,0|0,0,1]=3 56 B7R0.1 CCCCCOC=O 7518AF [2,0,0,0,0,0|1,0,1]=4 57 B7R0.1 CCC\C=C/CCC 7451AL [2,0,0,0,0,0|1,0,1]=4 58 B7R0.1 CCNCCCCO 2370AE [2,0,0,0,0,0|2,0,0]=4 59 B7R0.1 CC\C=C/CCCO 7447AL [2,0,0,0,0,0|1,0,1]=4 60 B7R0.3 CCCCC(=O)CC 7786AF [2,0,0,0,0,0|0,0,0]=2 61 B7R0.3 CCCCC(=O)NN X5269 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.3 CCCCC(Br)CC 6006AL [2,0,0,0,0,0|1,0,1]=4 63 B7R0.3 CCCNC(=O)CN V6930 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.3 CCCOC(=O)CBr U694 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.3 CCCOC(=O)CC 7524AF [2,0,0,0,0,0|1,0,0]=3 66 B7R0.3 COC(=O)CCCN 3563AL [2,0,0,0,0,0|1,0,0]=3 67 B7R0.7 CCNC(=O)CCCl 3193AE [2,0,0,0,0,0|2,0,0]=4 68 B7R0.7 CCOC(=O)OCCl Z4637 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.4 CC(=O)CCCCCl D718 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.4 CCCCSC(C)=O 3195AL [2,0,0,0,0,0|1,0,0]=3 71 B7R0.4 CCCOCC(=O)O 5344AE [2,0,0,0,0,0|1,0,0]=3 72 B7R0.4 CNCCCC(=O)O 2115AA [2,0,0,0,0,0|1,0,0]=3 73 B7R0.4 COCCCC(=O)O 2917AB [2,0,0,0,0,0|1,0,0]=3 74 B7R0.4 N#CCCCC(=O)O W5958 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.4 NCCCCC(=O)O 9495AB [2,0,0,0,0,0|1,0,0]=3 76 B7R0.4 O=C(O)COCCCl Y5074 [2,0,0,0,0,0|2,0,0]=4 77 B9R0.8 CCCCC(=O)N(C)OC 5475AA [1,1,0,0,0,0|2,0,0]=4 78 B9R0.8 CCCOC(=O)C(C)CC 4721AB [1,1,0,0,0,0|2,0,0]=4 79 B9R0.18 CCCCS(=O)CCCC S178 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.18 CCCOS(=O)OCCC 7736AL [1,1,0,0,0,0|2,0,0]=4 81 B9R0.34 CCOC(=O)CC(O)CCl X6126 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.35 CCCC(=O)C(O)CCC 6732AB [1,1,0,0,0,0|1,0,0]=3 83 B9R0.35 CCOC(=N)C(=O)OCC Z5154 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.48 CCOC(=O)CCC(C)C 6706AH [1,1,0,0,0,0|0,0,0]=2 85 B9R0.48 CCOC(=O)CCC(N)=O 3830AL [1,1,0,0,0,0|1,0,1]=4 86 B9R0.2 CCCCCCCC(C)C 5737AL [1,1,0,0,0,0|1,0,1]=4 87 B9R0.2 CCCCCCOC(C)=O 7968AF [1,1,0,0,0,0|0,0,2]=4 88 B9R0.45 CCC#CCCCCCC 5747AF [1,1,0,0,0,0|1,0,1]=4 89 B9R0.45 CCCCCC#CCCO V0610 [1,1,0,0,0,0|1,0,1]=4 90 B9R0.45 CCCCCCCCCS Q791 [1,1,0,0,0,0|1,0,1]=4 91 B9R0.45 CCCCCC\C=C/CO 7426AL [1,1,0,0,0,0|2,0,0]=4 92 B9R0.45 CCCCC\C=C/CCO 7441AL [1,1,0,0,0,0|1,0,0]=3 93 B9R0.45 CCCNCCNCCC 5593AD [1,1,0,0,0,0|2,0,0]=4 94 B9R0.46 CCCCCCC(O)CC 6139AL [1,1,0,0,0,0|1,0,1]=4 95 B9R0.1 CCC(=O)CCCC(=O)O 1673AE [1,1,0,0,0,0|1,0,1]=4 96 B9R0.20 CCCCCC(C)(C)CC 5877AL [1,1,0,0,0,0|1,0,1]=4 97 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [1,1,0,0,0,0|0,0,1]=3 98 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 4072AL [1,1,0,0,0,0|0,0,2]=4 99 B9R0.47 C=C(C)C(=O)NCCCC 2777AB [1,1,0,0,0,0|1,0,1]=4 100 B9R0.47 CCCCOC(=O)[C@H](C)N W5153 [1,1,0,0,0,0|1,0,0]=3 101 B11R0.4 CCCCCCCC(=O)CCC 5904AF [0,2,0,0,0,0|1,0,0]=3 102 B11R0.4 CCCCC\C=C\C(=O)OCC 7895AL [0,2,0,0,0,0|0,0,0]=2 103 B11R0.4 CCOC(=O)CCCCCCN X0080 [0,2,0,0,0,0|0,0,0]=2 104 B11R0.62 CCOC(=O)CSC(=O)OCC 4982AE [0,2,0,0,0,0|1,0,1]=4 105 B11R0.81 CCCCCCC(=O)CCCC 6822AL [0,2,0,0,0,0|1,0,0]=3 106 B11R0.142 CCCCCCC(=O)N(C)OC 1076AA [0,2,0,0,0,0|2,0,0]=4 107 B11R0.155 CCCCCC(Br)C(=O)OCC 9678AJ [0,2,0,0,0,0|0,0,0]=2 108 B11R0.155 CC\C=C(/C)C(O)CCCCC 2668AC [0,2,0,0,0,0|2,0,0]=4 109 B11R0.176 CCNC(=O)NCCCN(C)C 0343AE [0,2,0,0,0,0|2,0,0]=4 110 B11R0.1 CCOC(=O)CC(=O)CC(C)C 4048AB [0,2,0,0,0,0|0,0,1]=3 111 B11R0.1 CCOC(=O)CC(C)OC(C)=O 7790AL [0,2,0,0,0,0|1,0,1]=4 112 B11R0.165 CC(C)(C)OC(=O)NCCCCl 2753AA [0,2,0,0,0,0|2,0,0]=4 113 B11R0.165 CNCCNC(=O)OC(C)(C)C 0370AB [0,2,0,0,0,0|2,0,0]=4 114 B11R0.191 CCCCC(CC)C(=O)OCC 3062AB [0,2,0,0,0,0|0,0,0]=2 115 B11R0.247 CCCCC(F)(F)C(=O)OCC 0068AP [0,2,0,0,0,0|0,0,0]=2 116 B11R0.80 CCCCCC(OCC)OCC 4363AL [0,2,0,0,0,0|0,0,2]=4 117 B11R0.140 CCCCNC(=O)NCCCC 9402AA [0,2,0,0,0,0|2,0,0]=4 118 B9R1.2 CCC1CCCC(=O)C1 7677AD [1,0,0,1,0,0|1,0,0]=3 119 B9R1.15 CCN1CCNCC1=O Y9576 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.15 COC1CCCCC1=O 5686AL [1,0,0,1,0,0|2,0,0]=4 121 B9R1.33 O=C1OCCN1CCO 0596AE [1,0,0,1,0,0|2,0,0]=4 122 B9R1.48 O=C1CCCCC(=O)O1 0435AB [1,0,0,1,0,0|1,0,1]=4 123 B9R1.49 CN1CCNC(=O)CC1 3270AC [1,0,0,1,0,0|2,0,0]=4 124 B9R1.49 CN1CCNC(=O)CC1 W6867 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.73 CCOC(=O)C1CCC1 V0726 [1,0,0,1,0,0|0,0,0]=2 126 B9R1.73 CCOC(=O)C1CNC1 W6099 [1,0,0,1,0,0|1,0,0]=3 127 B9R1.1 CCC1CCC(N)CC1 8037AD [1,0,0,1,0,0|1,0,1]=4 128 B9R1.1 CC[C@H]1CC[C@H](O)CC1 9229AL [1,0,0,1,0,0|0,0,2]=4 129 B9R1.1 COC1CCC(=O)CC1 X9889 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.1 N#CC1CCC(=O)CC1 W5655 [1,0,0,1,0,0|1,0,1]=4 131 B9R1.1 O=C1CCC(CO)CC1 Y8952 [1,0,0,1,0,0|1,0,0]=3 132 B9R1.3 CC1CCCC(O)C1C 5234AL [1,0,0,1,0,0|0,0,2]=4 133 B9R1.11 CNC(=O)[C@@H]1CCCN1 V5238 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.11 COC(=O)C1CCCN1 Z5141 [1,0,0,1,0,0|1,0,0]=3 135 B9R1.11 COC(=O)C1CCOC1 3589AL [1,0,0,1,0,0|1,0,0]=3 136 B9R1.11 COC(=O)C1NCCS1 Y8749 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.11 COC(=O)[C@@H]1CCNC1 W8977 [1,0,0,1,0,0|1,0,0]=3 138 B9R1.11 COC(=O)[C@H]1CCNC1 X8929 [1,0,0,1,0,0|1,0,0]=3 139 B9R1.11 O=C(CBr)N1CCCC1 2846AF [1,0,0,1,0,0|2,0,0]=4 140 B9R1.79 COC(=O)CC1CNC1 4200AJ [1,0,0,1,0,0|1,0,0]=3 141 B11R1.16 CCOC(=O)C1CC=CCC1 4681AD [0,1,0,1,0,0|0,0,1]=3 142 B11R1.16 CCOC(=O)C1CCOCC1 6787AC [0,1,0,1,0,0|0,0,0]=2 143 B11R1.16 CCOC(=O)C1CNCCN1 X9754 [0,1,0,1,0,0|1,0,0]=3 144 B11R1.16 CCOC(=O)C1CNCCO1 6270AA [0,1,0,1,0,0|1,0,0]=3 145 B11R1.16 CCOC(=O)C1SCCCS1 0505AB [0,1,0,1,0,0|1,0,0]=3 146 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 4486AA [0,1,0,1,0,0|0,0,0]=2 147 B11R1.30 CCOC(=O)CC1CCCC1 9596AA [0,1,0,1,0,0|0,0,0]=2 148 B11R1.30 CCOC(=O)CC1CCCO1 9524AF [0,1,0,1,0,0|0,0,0]=2 149 B11R1.30 CCOC(=O)CN1CCCC1 7520AD [0,1,0,1,0,0|0,0,0]=2 150 B11R1.180 CCCCCC1=CCCC1=O 5777AL [0,1,0,1,0,0|1,0,0]=3 151 B11R1.180 CCCCCC1CCCC1=O 6603AB [0,1,0,1,0,0|1,0,0]=3 152 B11R1.199 CCOC(=O)C1=C(N)CCC1 X2964 [0,1,0,1,0,0|0,0,2]=4 153 B11R1.199 CCOC(=O)C1CCNC1=O Z1996 [0,1,0,1,0,0|1,0,1]=4 154 B11R1.199 CCOC(=O)C1COCC1=O 4919AC [0,1,0,1,0,0|1,0,1]=4 155 B11R1.199 CCOC(=O)C1CSCC1=O 2316AC [0,1,0,1,0,0|1,0,1]=4 156 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 6973AA [0,1,0,1,0,0|0,0,0]=2 157 B11R1.230 CCCCC1CC(=O)OC1=O 7307AL [0,1,0,1,0,0|0,0,1]=3 158 B11R1.34 CCCC1CC(=O)CC(=O)C1 8510AB [0,1,0,1,0,0|1,0,1]=4 159 B11R1.187 CCN1CC(CNC)CC1=O X2048 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.840 CCOC(=O)CC1(N)COC1 3610AA [0,1,0,1,0,0|1,0,0]=3 161 B11R1.15 CCOC(=O)C1CCC(=O)C1 W6832 [0,1,0,1,0,0|0,0,1]=3 162 B11R1.15 CCOC(=O)C1CCN(C)C1 4346AD [0,1,0,1,0,0|1,0,0]=3 163 B11R1.15 CCOC(=O)C1CNC(=O)C1 8987AB [0,1,0,1,0,0|1,0,1]=4 164 B11R1.15 CCOC(=O)N1CCC(=O)C1 3645AH [0,1,0,1,0,0|1,0,1]=4 165 B11R2.202 O=C1OC(=O)C2CCCC12 Y8857 [0,0,0,2,0,0|1,0,1]=4 166 B11R2.202 [C@H]12CCC[C@H]1C(=O)OC2=O 9516AL [0,0,0,2,0,0|1,0,1]=4 167 B11R2.1261 C1CCC2(CC1)NCCO2 0708AQ [0,0,0,2,0,0|1,0,1]=4 168 B11R2.1261 C1CCC2(CC1)OCCO2 5021AJ [0,0,0,2,0,0|0,0,2]=4 169 B11R2.1 O=C1CCC2CNCCN12 4139AJ [0,0,0,2,0,0|2,0,0]=4 170 B11R2.1 O=C1OCC2CNCCN12 0547AA [0,0,0,2,0,0|2,0,0]=4