0 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.5 CCCCOC(=O)CC#N PI-32785 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.5 CCOC(=O)C=CC=CC PI-15819 [0,0,0,0,0,0|0,0,4]=4 3 B9R0.5 CCOC(=O)CCN=C=O PI-19662 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.5 CCOC=CC(=O)OCC PI-37578 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.5 O=C(OCC)COCCCl PI-41952 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.1 CCCCC(CCC)O PI-46865 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.1 CCOC(=O)C=CCBr PI-11271 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.1 CCOC(=O)CCC#C PI-40902 [1,0,0,0,0,0|0,0,2]=3 9 B8R0.1 CCOC(=O)CCCBr PI-45007 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 CCOC(=O)CCCN PI-42166 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.1 CCOC(=O)CCSC PI-48514 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.1 CCOC(=O)CNC=O PI-33233 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.1 CCOCC(C)OCC PI-44418 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.1 O=C(OCC)CCNC PI-40053 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.1 [N-]=[N+]=NCC(=O)OCC PI-22050 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.4 CCCCCC#CCBr PI-22217 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 CCCCCC=CCO PI-26231 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.4 CCCCCCCCBr PI-44631 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.4 CCCCCCCCCl PI-44615 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.4 CCCCC\C=C\C=O PI-38486 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.4 CCCCSCCCC PI-48485 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.4 CCOCCOCCBr PI-50169 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.6 CCCCCC(=O)NN PI-50287 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.6 CCCCCC(CC)O PI-42991 [1,0,0,0,0,0|0,0,2]=3 25 B8R0.6 O=C(OC)CCCCBr PI-40014 [1,0,0,0,0,0|1,0,0]=2 26 B10R0.1 BrCCCCCC(=O)OCC PI-21505 [0,1,0,0,0,0|0,0,0]=1 27 B10R0.1 CCOC(=O)CCCCCO PI-45932 [0,1,0,0,0,0|0,0,0]=1 28 B10R0.2 CCCC(=O)CC(=O)OCC PI-45789 [0,1,0,0,0,0|0,0,1]=2 29 B10R0.2 CCCC(CC(=O)OCC)O PI-45930 [0,1,0,0,0,0|0,0,0]=1 30 B10R0.2 CCOC(=N)CC(=O)OCC PI-18369 [0,1,0,0,0,0|1,0,1]=3 31 B10R0.2 CCOC(=O)C[C@H](CC#N)O PI-13566 [0,1,0,0,0,0|1,0,1]=3 32 B10R0.2 CCOC(=O)C[C@H](O)CC#N PI-16779 [0,1,0,0,0,0|1,0,1]=3 33 B10R0.2 CCOC(=O)OC(=O)OCC PI-42475 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.3 CCOC(=O)CCCC(=O)O PI-19044 [0,1,0,0,0,0|1,0,1]=3 35 B10R0.19 CCCCC(=O)C(=O)OCC PI-33911 [0,1,0,0,0,0|0,0,1]=2 36 B10R0.19 CCCCC(C(=O)OCC)Br PI-19765 [0,1,0,0,0,0|0,0,0]=1 37 B10R0.19 CCCCC(C(C)CCC)O PI-30171 [0,1,0,0,0,0|2,0,1]=4 38 B10R0.19 CCOC(=O)C(CCCN)N PI-45795 [0,1,0,0,0,0|1,0,0]=2 39 B10R0.19 CCOC(=O)C(CCSC)N PI-31138 [0,1,0,0,0,0|1,0,0]=2 40 B10R0.156 CCCCCC(C)(CCC)O PI-19339 [0,1,0,0,0,0|1,0,2]=4 41 B10R1.11 CCOC(=O)C1CC=CC1 PI-33720 [0,0,0,1,0,0|0,0,2]=3 42 B10R1.11 CCOC(=O)C1CCCO1 PI-13056 [0,0,0,1,0,0|1,0,0]=2 43 B10R1.11 CCOC(=O)[C@@H]1CCCN1 PI-33223 [0,0,0,1,0,0|1,0,0]=2 44 B10R1.29 CCCCN1CCCC1=O PI-50565 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.29 NCCCN1CCCC1=O PI-17919 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.130 CCCC1=CC(=O)OC1O PI-45997 [0,0,0,1,0,0|1,0,2]=4 47 B10R1.135 CCOC(=O)C1CC1C=O PI-17872 [0,0,0,1,0,0|1,0,1]=3 48 B10R1.138 CCCC(=O)OCC1CO1 PI-16670 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.138 CCCC(=O)OC[C@@H]1CO1 PI-16664 [0,0,0,1,0,0|3,0,0]=4 50 B7R0.1 CCCCCCCBr PI-44628 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.1 COCCCCCBr PI-50168 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.3 CCCCC(=O)NN PI-50263 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.3 COC(=O)CCC#C PI-39349 [2,0,0,0,0,0|0,0,2]=4 54 B7R0.3 COC(=O)CCC=O PI-48276 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.3 COC(=O)CCCBr PI-44980 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.3 COC(=O)CCCN PI-42165 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.3 COC(=O)CCSC PI-45979 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.3 O=C(OC)CCNC PI-40057 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.7 CCCC(=O)OCCl PI-36667 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.7 CCOC(=O)C#CC PI-22064 [2,0,0,0,0,0|0,0,2]=4 61 B7R0.7 CCOC(=O)COC PI-50353 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.7 CCOC(=O)CSC PI-39857 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.7 CNCC(=O)OCC PI-30682 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.7 NCCC(=O)OCC PI-33213 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.7 OCCC(=O)OCC PI-39562 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.4 BrCCCCC(=O)Cl PI-15616 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.4 BrCCCCC(=O)O PI-11341 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.4 C#CCCCC(O)=O PI-37286 [2,0,0,0,0,0|0,0,2]=4 70 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [2,0,0,0,0,0|1,0,1]=4 71 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.4 C(CNCC(=O)O)N PI-47160 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.4 CC(=O)CCCCCl PI-28023 [2,0,0,0,0,0|1,0,0]=3 74 B7R0.4 CCCCCB(O)O PI-37261 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.4 CCCCC[C@@H](C)O PI-49829 [2,0,0,0,0,0|0,0,2]=4 76 B7R0.4 CCCOCC(=O)O PI-32592 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.4 COCCOC(=O)C PI-12910 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.4 NCCCCC(=O)O PI-30804 [2,0,0,0,0,0|1,0,0]=3 79 B7R0.4 OC(=O)CCCCN PI-40783 [2,0,0,0,0,0|1,0,0]=3 80 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [1,1,0,0,0,0|1,0,1]=4 81 B9R0.34 C(C)OC(CC(CBr)=O)=O PI-40019 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.34 CCOC(=O)CC(CBr)O PI-10817 [1,1,0,0,0,0|1,0,0]=3 83 B9R0.34 CCOC(=O)CC(CCl)O PI-38020 [1,1,0,0,0,0|1,0,0]=3 84 B9R0.34 CCOC(=O)C[C@@H](O)CCl PI-11565 [1,1,0,0,0,0|1,0,0]=3 85 B9R0.34 CCOC(=O)C[C@H](O)CCl PI-11564 [1,1,0,0,0,0|1,0,0]=3 86 B9R0.35 C(C)CC(C(OCC)=O)=O PI-31731 [1,1,0,0,0,0|0,0,1]=3 87 B9R0.35 CCCC(C(=O)OCC)Br PI-19764 [1,1,0,0,0,0|0,0,0]=2 88 B9R0.35 CCOC(=O)[C@H](CC=C)N PI-48082 [1,1,0,0,0,0|0,0,2]=4 89 B9R0.48 CCOC(=O)CCC(=O)Cl PI-12811 [1,1,0,0,0,0|1,0,1]=4 90 B9R0.48 CCOC(=O)CNC(=O)C PI-33248 [1,1,0,0,0,0|1,0,1]=4 91 B9R0.45 CCCCCCC=CCO PI-46869 [1,1,0,0,0,0|2,0,0]=4 92 B9R0.1 CC(=O)NCCC(=O)OC PI-33249 [1,1,0,0,0,0|1,0,1]=4 93 B9R0.1 COC(=O)CCCC(=O)O PI-39132 [1,1,0,0,0,0|1,0,1]=4 94 B11R0.4 CCCCCC#CC(=O)OCC PI-19036 [0,2,0,0,0,0|0,0,0]=2 95 B11R0.4 CCOC(=O)CCCCCCBr PI-19404 [0,2,0,0,0,0|0,0,0]=2 96 B11R0.4 O=C(OCC)CCCCCCN PI-40332 [0,2,0,0,0,0|0,0,0]=2 97 B11R0.155 CCCCCC(C(=O)OCC)Br PI-44611 [0,2,0,0,0,0|0,0,0]=2 98 B11R0.155 CCOC(=O)C(CCCCN)N PI-33227 [0,2,0,0,0,0|0,0,0]=2 99 B11R0.155 CC\C=C(C)\C(O)CCCCC PI-40152 [0,2,0,0,0,0|2,0,0]=4 100 B11R0.176 CCOC(=O)CCCCC(=O)O PI-25749 [0,2,0,0,0,0|0,0,1]=3 101 B11R0.176 CCOC(=O)CCCOC(=O)C PI-19370 [0,2,0,0,0,0|0,0,1]=3 102 B11R0.177 CCOC(=O)C(C(=O)OCC)Cl PI-37604 [0,2,0,0,0,0|1,0,1]=4 103 B11R0.177 CCOC(=O)C(C(=O)OCC)F PI-21115 [0,2,0,0,0,0|1,0,1]=4 104 B11R0.177 CCOC(=O)C(C(=O)OCC)N PI-10004 [0,2,0,0,0,0|1,0,1]=4 105 B11R0.177 CCOC(=O)C(C(=O)OCC)N PI-13164 [0,2,0,0,0,0|1,0,1]=4 106 B11R0.177 CCOC(=O)C(C)C(=O)OCC PI-12165 [0,2,0,0,0,0|1,0,1]=4 107 B11R0.177 O=C(OCC)C(Br)C(OCC)=O PI-37345 [0,2,0,0,0,0|1,0,1]=4 108 B11R0.141 CCOC(=O)CCC(C(=O)O)N PI-19054 [0,2,0,0,0,0|1,0,1]=4 109 B11R0.68 CC(C)OC(=O)C(CCSC)N PI-33218 [0,2,0,0,0,0|1,0,0]=3 110 B11R0.165 CC(C)(C)OC(=O)NCCCBr PI-35809 [0,2,0,0,0,0|2,0,0]=4 111 B11R0.165 CC(C)(C)OC(=O)NCCCN PI-19091 [0,2,0,0,0,0|2,0,0]=4 112 B11R0.165 CNCCNC(=O)OC(C)(C)C PI-34582 [0,2,0,0,0,0|2,0,0]=4 113 B11R0.165 ClCCCNC(=O)OC(C)(C)C PI-32932 [0,2,0,0,0,0|2,0,0]=4 114 B11R0.165 NCCCNC(=O)OC(C)(C)C PI-12153 [0,2,0,0,0,0|2,0,0]=4 115 B11R0.11 CCCOC(=O)C(=O)OCCC PI-19767 [0,2,0,0,0,0|1,0,1]=4 116 B11R0.43 CCC(=O)CC(=O)C(=O)OCC PI-50427 [0,2,0,0,0,0|0,0,2]=4 117 B11R0.247 CCCCC(F)(F)C(OCC)=O PI-42711 [0,2,0,0,0,0|0,0,0]=2 118 B11R0.140 CCCCNC(=O)OCC#CI PI-24490 [0,2,0,0,0,0|1,0,1]=4 119 B11R0.170 CCOC(=O)CCC(CO)(F)F PI-49265 [0,2,0,0,0,0|1,0,0]=3 120 B9R1.15 COC1CCCCC1=O PI-28180 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [1,0,0,1,0,0|1,0,0]=3 124 B9R1.73 CCOC(=O)C1CCC1 PI-33318 [1,0,0,1,0,0|0,0,0]=2 125 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [1,0,0,1,0,0|0,0,0]=2 126 B9R1.1 CCN1CCC(=O)CC1 PI-14889 [1,0,0,1,0,0|1,0,0]=3 127 B9R1.1 COC1CCC(CC1)=O PI-40302 [1,0,0,1,0,0|1,0,0]=3 128 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [1,0,0,1,0,0|1,0,0]=3 129 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.3 O=C1CCCC(=O)C1C PI-21904 [1,0,0,1,0,0|1,0,1]=4 131 B9R1.11 C1CCN(C1)C(=O)CCl PI-50573 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.11 COC(=O)C1=CCCC1 PI-38160 [1,0,0,1,0,0|0,0,2]=4 133 B9R1.11 COC(=O)C1CC=CC1 PI-37831 [1,0,0,1,0,0|0,0,2]=4 134 B9R1.11 COC(=O)C1CCCN1 PI-14284 [1,0,0,1,0,0|1,0,0]=3 135 B9R1.11 COC(=O)C1CCCO1 PI-13051 [1,0,0,1,0,0|1,0,0]=3 136 B9R1.11 COC(=O)C1CCNC1 PI-27313 [1,0,0,1,0,0|1,0,0]=3 137 B9R1.11 COC(=O)[C@@H]1CCCN1 PI-14283 [1,0,0,1,0,0|1,0,0]=3 138 B9R1.11 O=C(C1CNCC1)OC PI-46627 [1,0,0,1,0,0|1,0,0]=3 139 B9R1.11 O=C(C1COCC1)OC PI-42697 [1,0,0,1,0,0|1,0,0]=3 140 B9R1.118 CCC1(O)CCCCC1 PI-29293 [1,0,0,1,0,0|0,0,2]=4 141 B11R1.16 CCOC(=O)C1CCCCC1 PI-30479 [0,1,0,1,0,0|0,0,0]=2 142 B11R1.16 CCOC(=O)C1CCCCN1 PI-25203 [0,1,0,1,0,0|0,0,0]=2 143 B11R1.16 CCOC(=O)C1CCCCN1 PI-27902 [0,1,0,1,0,0|0,0,0]=2 144 B11R1.16 CCOC(=O)C1CCCNC1 PI-16598 [0,1,0,1,0,0|0,0,0]=2 145 B11R1.16 CCOC(=O)C1CCCNC1 PI-25608 [0,1,0,1,0,0|0,0,0]=2 146 B11R1.16 CCOC(=O)C1CCCNC1 PI-31082 [0,1,0,1,0,0|0,0,0]=2 147 B11R1.16 CCOC(=O)C1CCCNC1 PI-33283 [0,1,0,1,0,0|0,0,0]=2 148 B11R1.16 CCOC(=O)C1CCCNC1 PI-33284 [0,1,0,1,0,0|0,0,0]=2 149 B11R1.16 CCOC(=O)C1CCNCC1 PI-27083 [0,1,0,1,0,0|0,0,0]=2 150 B11R1.16 CCOC(=O)C1CSCCN1 PI-17983 [0,1,0,1,0,0|1,0,0]=3 151 B11R1.16 CCOC(=O)C1SCCCS1 PI-11231 [0,1,0,1,0,0|1,0,0]=3 152 B11R1.16 CCOC(=O)N1CCNCC1 PI-16482 [0,1,0,1,0,0|1,0,0]=3 153 B11R1.199 CCOC(=O)C1CCCC1=O PI-16795 [0,1,0,1,0,0|0,0,1]=3 154 B11R1.199 CCOC(=O)C1CCNC1=O PI-36173 [0,1,0,1,0,0|1,0,1]=4 155 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N PI-49241 [0,1,0,1,0,0|0,0,0]=2 156 B11R1.230 CC1CC(=O)OC1CCCC PI-27552 [0,1,0,1,0,0|1,0,0]=3 157 B11R1.15 CCOC(=O)C1CCC(=O)C1 PI-42490 [0,1,0,1,0,0|0,0,1]=3 158 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 PI-34624 [0,1,0,1,0,0|1,0,1]=4 159 B11R1.381 CCN1CCCC[C@H](N)C1=O PI-15891 [0,1,0,1,0,0|1,0,0]=3 160 B11R1.834 CCOC(=O)C1(CC1C=C)N PI-44473 [0,1,0,1,0,0|0,0,2]=4 161 B11R1.834 O=C([C@]1(N)[C@H](C=C)C1)OCC PI-42413 [0,1,0,1,0,0|0,0,2]=4