0 B7R0.6 C=C(Br)CNC(C)=O SY264197 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 C=C(C)CC[N+](=O)[O-] SY266593 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(=O)C=CC(C)=O SY233697 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 CC(=O)CCC(N)=O SY273013 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.6 CC(=O)NCC(=O)O SY013515 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 CC(=O)NNC(N)=S SY109331 [0,0,0,0,0,0|3,1,0]=4 6 B7R0.6 CC(=O)OCC(C)O SY272306 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 CC(C)CCB(O)O SY024043 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 CC(C)CCC(=O)O SY001693 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.6 CC(C)CC[N+](=O)[O-] SY224455 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.6 CC(Cl)CCC(=O)Cl SY027798 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.6 CC(O)CCC(=O)[O-] SY159293 [0,0,0,0,0,0|0,0,3]=3 12 B7R0.6 CN(C)CCC(=O)O SY031864 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.6 C[C@@H](N)CCC(=O)O SY297613 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.6 C[C@H](N)CCC(=O)O SY297612 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.6 N=C(N)NCC(=O)O SY015122 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.6 NC(=O)CCC(N)=O SY057038 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.6 O=C(O)CSC(F)F SY172606 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.4 C=CCC[C@H](C)O SY307699 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 C=CCC[N+](=O)[O-] SY266513 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 CC(=O)CCCO SY002852 [1,0,0,0,0,0|0,0,1]=2 21 B6R0.4 CC(=O)NCCN SY313725 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CC(C)CCCO SY016761 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.4 CC(C)OCC=O SY269035 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CC(Cl)CCCO SY207412 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 CC(O)CCCO SY239899 [1,0,0,0,0,0|0,0,3]=4 26 B6R0.4 CCCCB(O)O SY012742 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 CCCCC(=N)N SY020380 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CCCCC(=N)N SY020382 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 CCCOC(N)=O SY114484 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CN(C)CCC=O SY022382 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 CNCCC(=O)O SY005345 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.4 CNCCC(=O)O SY112486 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.4 COCCC(=N)N SY185487 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.4 COCCC(=O)O SY028921 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.4 N#CCCC(=O)O SY008516 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.4 NC(=O)NCCO SY038945 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 NCCCC(N)=O SY174709 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 O=C(O)CCCBr SY001501 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.4 O=CNCC(=O)O SY052094 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.4 O=[N+]([O-])CCCO SY211657 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.9 C=C[C@@H](N)CCC(=O)O SY263247 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.9 CCC(=O)CCC(=O)O SY270773 [0,1,0,0,0,0|0,0,0]=1 43 B8R0.9 CCC(Cl)CCC(=O)Cl SY027792 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.9 CN(C)CCC(=O)NN SY137573 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.9 COC(=O)CCC(=O)O SY009523 [0,1,0,0,0,0|0,0,0]=1 46 B8R0.9 COC(=O)CCC(C)=O SY048239 [0,1,0,0,0,0|0,0,0]=1 47 B8R0.9 COC(=O)CCS(=O)[O-] SY106186 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.9 COC(=O)CC[N+](=O)[O-] SY266571 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.9 COC(=O)NCC(=O)O SY032049 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.9 COC(=O)\C=C\C(=O)O SY039225 [0,1,0,0,0,0|0,0,2]=3 51 B8R0.9 NCC(=O)CCC(=O)O SY017972 [0,1,0,0,0,0|0,0,0]=1 52 B8R0.9 NCC(=O)NCC(=O)O SY018005 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.9 NCC(=O)NCC(N)=O SY250873 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.9 NNC(=O)NCC(=O)O SY249404 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.23 C=C(NC(C)=O)C(=O)O SY026505 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.23 CC(=O)N(C)CC(=O)O SY168740 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.23 CC(=O)NC(C)C(=O)O SY032572 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SY038273 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.23 CC(C)C(N)CC(=O)O SY016724 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.23 CC(C)CC(N)C(=O)O SY006365 [0,1,0,0,0,0|1,0,1]=3 61 B8R0.23 CC(C)C[C@@H](N)C(=O)O SY033229 [0,1,0,0,0,0|1,0,1]=3 62 B8R0.23 CC(C)C[C@@H](O)C(=O)O SY066416 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.23 CC(C)C[C@H](N)C(=O)O SY005863 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.23 CC(C)C[C@H](O)C(=O)O SY066744 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.23 CC(C)[C@@H](N)CC(=O)O SY064256 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.23 CC(C)[C@H](N)CC(=O)O SY077258 [0,1,0,0,0,0|1,0,1]=3 67 B8R0.23 CC(CC(=O)O)C(=O)O SY036933 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SY104041 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O SY254067 [0,1,0,0,0,0|0,0,2]=3 70 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SY004421 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SY008178 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.23 NC(=O)C[C@H](N)C(=O)O SY014875 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.23 N[C@H](CC(=O)O)C(=O)O SY009812 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SY009804 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.23 O=C(O)C[C@H](F)C(=O)O SY247078 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.23 O=C(O)C[C@H](O)C(=O)O SY003313 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.29 CC(=O)CCC(C)(C)C SY200187 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.29 CC(C)(C)NCC(=O)O SY045863 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.29 CC(C)(C)OCC(=O)O SY040142 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.29 CS(=O)(=O)CCC(=O)O SY028922 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.29 CS(=O)(=O)NCC(=O)O SY015011 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.29 O=C(O)CCC(F)(F)F SY004841 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.3 CC1=NNC(=O)CC1 SY023987 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.3 CC1C=CC(=O)CC1 SY100224 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.3 CC1CNC(=O)CO1 SY032981 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.3 NC1CCC(=O)CC1 SY017243 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.3 NC1CCC(=O)NC1 SY022821 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.3 N[C@@H]1CCC(=O)NC1 SY036453 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.3 O=C1CCC(=O)CC1 SY002914 [0,0,0,1,0,0|1,0,0]=2 90 B8R1.3 O=C1CCC(Br)CC1 SY275581 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.3 O=C1CCC(O)CC1 SY005938 [0,0,0,1,0,0|1,0,1]=3 92 B8R1.3 O=C1CCC(O)CN1 SY034611 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.3 O=C1CC[C@H](O)CN1 SY107535 [0,0,0,1,0,0|1,0,2]=4 94 B8R1.23 C=C1CC(C(=O)O)C1 SY039273 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.23 CC(=O)N1CC(O)C1 SY005005 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.23 CC1CC(C(=O)O)C1 SY042063 [0,0,0,1,0,0|1,0,1]=3 97 B8R1.23 CN1CC(C(=O)Cl)C1 SY247770 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.23 CN1CC(C(=O)O)C1 SY097022 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SY026883 [0,0,0,1,0,0|1,0,1]=3 100 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SY026884 [0,0,0,1,0,0|1,0,1]=3 101 B8R1.23 O=C(O)C1CC(Cl)C1 SY024876 [0,0,0,1,0,0|1,0,1]=3 102 B8R1.23 O=C(O)C1CC(O)C1 SY098700 [0,0,0,1,0,0|0,0,2]=3 103 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SY042433 [0,0,0,1,0,0|0,0,2]=3 104 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SY042435 [0,0,0,1,0,0|0,0,2]=3 105 B8R1.23 O=C1CC(C(=O)O)C1 SY008366 [0,0,0,1,0,0|0,0,0]=1 106 B8R1.35 O=C(O)CCC1CC1 SY042777 [0,0,0,1,0,0|1,0,1]=3 107 B8R1.51 CC1(C)CCC(=O)C1 SY043145 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.51 CC1(C)CCC(=O)N1 SY023743 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.51 O=C1CCS(=O)(=O)C1 SY030209 [0,0,0,1,0,0|1,0,1]=3 110 B8R1.77 CC1(C)CC1C(N)=O SY284377 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.77 CC1(C)C[C@@H]1C(=O)O SY108102 [0,0,0,1,0,0|1,0,1]=3 112 B8R1.77 CC1(C)C[C@@H]1C(N)=O SY042583 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.77 CC1(C)OC1C(=O)O SY224321 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.77 O=C(O)C1CC1(F)F SY027524 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.77 O=C(O)[C@@H]1CC1(F)F SY245844 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.77 O=C(O)[C@H]1CC1(F)F SY099275 [0,0,0,1,0,0|2,0,1]=4 117 B6R0.2 CC(=O)C[N+](=O)[O-] SY285532 [0,0,0,0,1,0|1,0,1]=3 118 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [0,0,0,0,1,0|1,0,2]=4 119 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [0,0,0,0,1,0|1,0,2]=4 120 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [0,0,0,0,1,0|1,0,2]=4 121 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [0,0,0,0,1,0|1,0,2]=4 122 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [0,0,0,0,1,0|1,0,2]=4 123 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [0,0,0,0,1,0|1,0,2]=4 124 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [0,0,0,0,1,0|1,0,2]=4 125 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [0,0,0,0,1,0|2,0,1]=4 126 B6R0.2 CC(N)CC(=O)O SY022577 [0,0,0,0,1,0|1,0,1]=3 127 B6R0.2 CN(C)CC(=O)O SY001194 [0,0,0,0,1,0|2,0,0]=3 128 B6R0.2 CN(C)CC(=O)O SY005006 [0,0,0,0,1,0|2,0,0]=3 129 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [0,0,0,0,1,0|1,0,1]=3 130 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [0,0,0,0,1,0|1,0,1]=3 131 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [0,0,0,0,1,0|0,0,3]=4 132 B6R0.2 C[C@H](N)CC(=O)O SY022578 [0,0,0,0,1,0|1,0,1]=3 133 B6R0.2 C[C@H](N)CC(=O)O SY025782 [0,0,0,0,1,0|1,0,1]=3 134 B6R0.2 N=C(N)CC(N)=O SY109396 [0,0,0,0,1,0|3,0,0]=4 135 B6R0.2 NC(=O)CC(N)=O SY018470 [0,0,0,0,1,0|2,0,0]=3 136 B6R0.2 O=C(O)CC(=O)O SY001875 [0,0,0,0,1,0|1,0,0]=2 137 B8R0.28 CC(=O)CCCC(=O)O SY015106 [0,0,0,0,0,1|0,0,0]=1 138 B8R0.28 CC(=O)CCCC(C)=O SY253771 [0,0,0,0,0,1|1,0,0]=2 139 B8R0.28 CC(=O)CCCN(C)C SY147772 [0,0,0,0,0,1|3,0,0]=4 140 B8R0.28 CC(=O)NCCC(=O)O SY025089 [0,0,0,0,0,1|0,0,0]=1 141 B8R0.28 CC(=O)O[Sr]OC(C)=O SY006682 [0,0,0,0,0,1|3,0,0]=4 142 B8R0.28 CC(C)CCOC(=O)Cl SY032117 [0,0,0,0,0,1|2,0,1]=4 143 B8R0.28 CN(C)CCCC(=O)O SY058453 [0,0,0,0,0,1|2,0,0]=3 144 B8R0.28 CN(C)C\C=C\C(=O)O SY030493 [0,0,0,0,0,1|2,0,1]=4 145 B8R0.28 N=C(N)NCCC(=O)O SY066704 [0,0,0,0,0,1|2,0,0]=3 146 B8R0.28 O=C(O)CCCC(=O)O SY029948 [0,0,0,0,0,1|1,0,0]=2 147 B5R0.1 C#CCC(=O)O SY040154 [2,0,0,0,0,0|0,0,2]=4 148 B5R0.1 CC(=O)CCN SY263173 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.1 CC(=O)CCO SY002849 [2,0,0,0,0,0|0,0,0]=2 150 B5R0.1 CC(=O)NCO SY047960 [2,0,0,0,0,0|1,0,0]=3 151 B5R0.1 CC(=O)OCBr SY051438 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.1 CC(=O)\C=N/O SY112549 [2,0,0,0,0,0|1,0,1]=4 153 B5R0.1 CC(N)CCO SY030187 [2,0,0,0,0,0|1,0,1]=4 154 B5R0.1 CCCB(O)O SY030878 [2,0,0,0,0,0|1,0,1]=4 155 B5R0.1 CCC[C@@H](C)O SY045083 [2,0,0,0,0,0|1,0,1]=4 156 B5R0.1 CCNC(C)=O SY016499 [2,0,0,0,0,0|1,0,1]=4 157 B5R0.1 CN(C)CC=O SY114927 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.1 CNCC(=O)O SY001630 [2,0,0,0,0,0|1,0,0]=3 159 B5R0.1 CNCC(N)=O SY059741 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.1 CSCC(N)=O SY040648 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.1 C[C@@H](O)CCO SY049450 [2,0,0,0,0,0|0,0,2]=4 162 B5R0.1 C[C@H](N)CCO SY022986 [2,0,0,0,0,0|1,0,1]=4 163 B5R0.1 C\C(I)=C\CO SY246995 [2,0,0,0,0,0|1,0,1]=4 164 B5R0.1 C\C(I)=C\CO SY252919 [2,0,0,0,0,0|1,0,1]=4 165 B5R0.1 NC(=O)CCBr SY014886 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.1 NCCC(N)=O SY024863 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.1 NCCC(N)=O SY101590 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.1 O=C(O)CCF SY008508 [2,0,0,0,0,0|1,0,0]=3 169 B5R0.1 O=C(O)CCO SY003982 [2,0,0,0,0,0|0,0,1]=3 170 B5R0.1 O=C(O)\C=C\Br SY026854 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.1 O=[N+]([O-])CCO SY008757 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.2 N#CCCC=O SY273827 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.2 O=CNNC=O SY012914 [2,0,0,0,0,0|2,0,0]=4 174 B7R0.2 CCC(C)CC(=O)Cl SY265619 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.2 CN(C=O)CC(=O)O SY224496 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.2 COC(=O)CC(=O)O SY046546 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.2 O=C([O-])CC(O)CO SY296011 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.2 O=C([O-])C[C@H](O)CO SY293279 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.3 C#CCCC(=O)OC SY057491 [1,1,0,0,0,0|0,0,2]=4 180 B7R0.3 CCC(=O)OCCO SY301488 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.3 CCCCC(=O)NN SY078868 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.3 CNC(=O)CCCO SY126228 [1,1,0,0,0,0|0,0,1]=3 183 B7R0.3 CNCCC(=O)NC SY029107 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.3 CNCCC(=O)OC SY019690 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.3 COC(=O)CCC#N SY012328 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.3 COC(=O)CCCBr SY011922 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.3 COC(=O)CCCI SY110660 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.3 COC(=O)CCCN SY058513 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.3 COC(=O)CCCO SY268958 [1,1,0,0,0,0|0,0,1]=3 190 B7R0.4 C#CCCCC(=O)O SY026710 [1,1,0,0,0,0|0,0,2]=4 191 B7R0.4 C=CCCCC(=O)O SY050075 [1,1,0,0,0,0|0,0,1]=3 192 B7R0.4 CC(=O)OCCCCl SY106444 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.4 CCCCCC(N)=O SY051726 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.4 CCCOCC(=O)O SY025048 [1,1,0,0,0,0|0,0,1]=3 195 B7R0.4 CNCCCC(=O)O SY032531 [1,1,0,0,0,0|0,0,1]=3 196 B7R0.4 COCCCC(=O)O SY045907 [1,1,0,0,0,0|0,0,1]=3 197 B7R0.4 N#CCCCC(=O)O SY008532 [1,1,0,0,0,0|0,0,2]=4 198 B7R0.4 NC(=O)CCCCBr SY253590 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.4 NC(=O)CCCCCl SY184285 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.4 NCCCCC(=O)O SY002964 [1,1,0,0,0,0|0,0,1]=3 201 B7R0.4 NCCCCC(N)=O SY247757 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.4 O=C(Cl)CCCCF SY270893 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.4 O=C(O)CCCCCl SY051600 [1,1,0,0,0,0|0,0,1]=3 204 B7R0.4 O=C(O)CCCCS SY141369 [1,1,0,0,0,0|0,0,1]=3 205 B7R0.4 O=C(O)COCCCl SY030518 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.4 O=C([O-])CCCCO SY019284 [1,1,0,0,0,0|0,0,2]=4 207 B7R0.4 [N-]=[N+]=NCCC(=O)O SY142459 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.5 C#CCC(N)C(=O)O SY139497 [1,1,0,0,0,0|0,0,2]=4 209 B7R0.5 C#CC[C@@H](N)C(=O)O SY105090 [1,1,0,0,0,0|0,0,2]=4 210 B7R0.5 C=CCC(C)C(=O)O SY048335 [1,1,0,0,0,0|0,0,1]=3 211 B7R0.5 C=CCC(N)C(=O)O SY052428 [1,1,0,0,0,0|0,0,1]=3 212 B7R0.5 C=CC[C@@H](N)C(=O)O SY064478 [1,1,0,0,0,0|0,0,1]=3 213 B7R0.5 C=CC[C@H](N)C(=O)O SY008709 [1,1,0,0,0,0|0,0,1]=3 214 B7R0.5 CC(=O)C(C)CCBr SY247638 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.5 CC=CC(C)C(=O)O SY254091 [1,1,0,0,0,0|0,0,1]=3 216 B7R0.5 CCCC(N)C(=O)O SY035722 [1,1,0,0,0,0|0,0,1]=3 217 B7R0.5 CCCC(O)C(N)=O SY251045 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.5 CCC[C@@H](N)C(=O)O SY019949 [1,1,0,0,0,0|0,0,1]=3 219 B7R0.5 CCC[C@H](N)C(=O)O SY001938 [1,1,0,0,0,0|0,0,1]=3 220 B7R0.5 CCOC(C)C(=O)O SY040144 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.5 CNC[C@H](N)C(=O)O SY013432 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.5 COCC(N)C(=O)O SY034134 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.5 COC[C@@H](N)C(=O)O SY023999 [1,1,0,0,0,0|1,0,0]=3 224 B7R0.5 COC[C@H](N)C(=O)O SY114490 [1,1,0,0,0,0|1,0,0]=3 225 B7R0.5 NC(CCO)C(=O)O SY005812 [1,1,0,0,0,0|0,0,2]=4 226 B7R0.5 NCCC(N)C(=O)O SY005642 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.5 NCC[C@@H](N)C(=O)O SY005641 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.5 NCC[C@H](N)C(=O)O SY005640 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.5 NCC[C@H](O)C(=O)O SY008713 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.5 N[C@@H](CCO)C(=O)O SY005811 [1,1,0,0,0,0|0,0,2]=4 231 B7R0.5 N[C@@H](CCS)C(=O)O SY026382 [1,1,0,0,0,0|0,1,1]=4 232 B7R0.5 N[C@H](CCO)C(=O)O SY014844 [1,1,0,0,0,0|0,0,2]=4 233 B7R0.8 CS(=O)(=O)CCCO SY006812 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.9 CC(C)(N)CC(=O)O SY013584 [0,1,0,0,1,0|1,0,1]=4 235 B7R0.9 CC(C)(N)CC(=O)O SY013645 [0,1,0,0,1,0|1,0,1]=4 236 B7R0.9 CC(C)(O)CC(=O)O SY032937 [0,1,0,0,1,0|0,0,2]=4 237 B7R0.9 CS(=O)(=O)CC(=O)O SY003200 [0,1,0,0,1,0|1,0,0]=3 238 B7R0.9 CS(=O)(=O)CC(N)=O SY020025 [0,1,0,0,1,0|2,0,0]=4 239 B7R0.16 C=C(C(=O)O)C(=O)O SY285531 [0,1,0,0,1,0|1,0,1]=4 240 B7R0.16 CC(=O)C(C)C(C)=O SY048147 [0,1,0,0,1,0|1,0,0]=3 241 B7R0.16 CC(C(=O)O)C(=O)O SY006109 [0,1,0,0,1,0|1,0,0]=3 242 B7R0.16 CC(C)[C@@H](Br)C(=O)O SY033749 [0,1,0,0,1,0|1,0,1]=4 243 B7R0.16 CC(C)[C@@H](N)C(=O)O SY002593 [0,1,0,0,1,0|1,0,1]=4 244 B7R0.16 CC(C)[C@@H](O)C(=O)O SY041974 [0,1,0,0,1,0|1,0,1]=4 245 B7R0.16 CC(C)[C@H](N)C(=O)O SY002589 [0,1,0,0,1,0|1,0,1]=4 246 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SY026984 [0,1,0,0,1,0|0,0,2]=4 247 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SY020053 [0,1,0,0,1,0|0,0,2]=4 248 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SY018620 [0,1,0,0,1,0|0,0,2]=4 249 B7R0.16 C[C@H](O)[C@H](N)C(=O)O SY024226 [0,1,0,0,1,0|0,0,2]=4 250 B7R0.16 NC(=O)C(N)C(N)=O SY016230 [0,1,0,0,1,0|2,0,0]=4 251 B7R0.16 O=C(O)C(F)C(=O)O SY157510 [0,1,0,0,1,0|1,0,0]=3 252 B9R0.1 COC(=O)CCCC(=O)O SY029949 [0,1,0,0,0,1|0,0,0]=2 253 B9R0.1 COC(=O)CCCC(C)=O SY113736 [0,1,0,0,0,1|0,0,0]=2 254 B9R0.1 COC(=O)CCC[N+](=O)[O-] SY103838 [0,1,0,0,0,1|1,0,1]=4 255 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O SY268968 [0,1,0,0,0,1|2,0,0]=4 256 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O SY268975 [0,1,0,0,0,1|2,0,0]=4 257 B9R0.7 N=C(N)NC[C@H](N)C(=O)O SY073073 [0,1,0,0,0,1|2,0,0]=4 258 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O SY020875 [0,1,0,0,0,1|1,0,0]=3 259 B9R0.7 NC(CCC(=O)O)C(=O)O SY008517 [0,1,0,0,0,1|1,0,0]=3 260 B9R0.7 NC(CCC(=O)O)C(=O)O SY008518 [0,1,0,0,0,1|1,0,0]=3 261 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SY007089 [0,1,0,0,0,1|1,0,0]=3 262 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY065306 [0,1,0,0,0,1|1,0,1]=4 263 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY254213 [0,1,0,0,0,1|1,0,1]=4 264 B9R0.53 CC(CC(=O)O)CC(=O)O SY049418 [0,1,0,0,0,1|1,0,0]=3 265 B9R0.53 CN(CC(=O)O)CC(=O)O SY011911 [0,1,0,0,0,1|1,0,0]=3 266 B9R0.53 NC(CC(=O)O)CC(=O)O SY239462 [0,1,0,0,0,1|1,0,0]=3 267 B9R0.53 NC(CC(=O)O)CC(=O)O SY239922 [0,1,0,0,0,1|1,0,0]=3 268 B9R0.53 O=C(O)CC(O)CC(=O)O SY122582 [0,1,0,0,0,1|1,0,0]=3 269 B9R0.56 NS(=O)(=O)CCCC(=O)O SY104163 [0,1,0,0,0,1|2,0,0]=4 270 B9R0.21 COC(=O)CCS(=O)(=O)Cl SY008166 [0,2,0,0,0,0|1,0,1]=4 271 B9R0.23 C=C(NC(C)=O)C(=O)OC SY026506 [0,2,0,0,0,0|1,0,1]=4 272 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O SY074228 [0,2,0,0,0,0|1,0,1]=4 273 B9R0.23 COC(=O)C(=O)CC(C)=O SY078759 [0,2,0,0,0,0|0,0,1]=3 274 B9R0.23 COC(=O)C(Br)CN(C)C SY290799 [0,2,0,0,0,0|2,0,0]=4 275 B9R0.23 COC(=O)[C@@H](C)CC(=O)O SY254300 [0,2,0,0,0,0|0,0,0]=2 276 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SY026157 [0,2,0,0,0,0|0,0,0]=2 277 B9R0.23 COC(=O)[C@@H](N)CC(C)C SY013150 [0,2,0,0,0,0|1,0,1]=4 278 B9R0.23 COC(=O)[C@H](N)CC(=O)O SY076701 [0,2,0,0,0,0|0,0,0]=2 279 B9R0.23 COC(=O)[C@H](N)CC(C)C SY037977 [0,2,0,0,0,0|1,0,1]=4 280 B9R0.24 CCC(=O)CCC(=O)OC SY270772 [0,2,0,0,0,0|0,0,0]=2 281 B9R0.24 COC(=O)CCC(=O)CBr SY034031 [0,2,0,0,0,0|0,0,0]=2 282 B9R0.24 COC(=O)CCC(=O)CN SY023721 [0,2,0,0,0,0|0,0,0]=2 283 B9R0.24 COC(=O)CNC(=O)CN SY102049 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.24 COC(=O)CNC(=O)OC SY238214 [0,2,0,0,0,0|1,0,0]=3 285 B9R0.42 COC(=O)CC(N)C(=O)O SY113561 [0,2,0,0,0,0|0,0,0]=2 286 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl SY262534 [0,2,0,0,0,0|1,0,0]=3 287 B9R0.42 COC(=O)C[C@@H](C)C(=O)O SY110577 [0,2,0,0,0,0|0,0,0]=2 288 B9R0.42 COC(=O)C[C@@H](N)C(=O)O SY102003 [0,2,0,0,0,0|0,0,0]=2 289 B9R0.42 COC(=O)C[C@H](N)C(=O)O SY030362 [0,2,0,0,0,0|0,0,0]=2 290 B9R0.42 NCC(=O)CC(N)C(=O)O SY273545 [0,2,0,0,0,0|0,0,0]=2 291 B9R0.48 CCOC(=O)CCC(=O)O SY058510 [0,2,0,0,0,0|0,0,0]=2 292 B9R0.48 CCOC(=O)CC[N+](=O)[O-] SY040933 [0,2,0,0,0,0|1,0,1]=4 293 B9R0.48 CCOC(=O)\C=C\C(=O)O SY001478 [0,2,0,0,0,0|0,0,2]=4 294 B9R0.48 CCOC(=O)\C=C\C(C)=O SY292684 [0,2,0,0,0,0|0,0,2]=4 295 B9R0.10 CN(CC(=O)O)S(C)(=O)=O SY015012 [0,2,0,0,0,0|2,0,0]=4 296 B9R0.11 CC(C)(CC(=O)O)C(=O)O SY004631 [0,2,0,0,0,0|1,0,0]=3 297 B9R0.11 CC(C)CC(C)(O)C(=O)O SY022388 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O SY271892 [0,2,0,0,0,0|1,0,0]=3 299 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O SY009511 [0,2,0,0,0,0|1,0,0]=3 300 B9R0.39 CC(C)C[C@@H](CN)C(=O)O SY123912 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.39 CC(C)C[C@@H](CN)C(=O)O SY127501 [0,2,0,0,0,0|1,0,1]=4 302 B9R0.39 CC(C)C[C@H](CN)C(=O)O SY108588 [0,2,0,0,0,0|1,0,1]=4 303 B9R0.39 CC(C)C[C@H](CN)C(=O)O SY254088 [0,2,0,0,0,0|1,0,1]=4 304 B9R0.39 CNC(CC(C)C)C(=O)O SY022445 [0,2,0,0,0,0|1,0,1]=4 305 B9R0.39 CN[C@H](CC(=O)O)C(=O)O SY035118 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O SY035333 [0,2,0,0,0,0|1,0,1]=4 307 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O SY119940 [0,2,0,0,0,0|1,0,1]=4 308 B9R0.57 C[C@@H](OS(C)(=O)=O)C(=O)O SY284956 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O SY104814 [0,2,0,0,0,0|1,0,1]=4 310 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SY254571 [0,2,0,0,0,0|1,0,1]=4 311 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O SY009723 [0,2,0,0,0,0|1,0,0]=3 312 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O SY009722 [0,2,0,0,0,0|1,0,0]=3 313 B7R1.2 CC1=NNC(=O)O1 SY017602 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.2 CC1CCC(=O)C1 SY003033 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.2 CC1CCC(=O)O1 SY011304 [1,0,0,1,0,0|0,0,1]=3 316 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.2 O=C1CC(O)CN1 SY031844 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.2 O=C1CCC(=O)C1 SY003377 [1,0,0,1,0,0|0,0,0]=2 320 B7R1.2 O=C1CCC(O)C1 SY040217 [1,0,0,1,0,0|0,0,1]=3 321 B7R1.2 O=C1COC(=O)C1 SY048546 [1,0,0,1,0,0|1,0,0]=3 322 B7R1.2 O=C1CSC(=O)N1 SY001546 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [1,0,0,1,0,0|1,0,1]=4 324 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [1,0,0,1,0,0|1,0,1]=4 325 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [1,0,0,1,0,0|1,0,1]=4 326 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.3 CC1=CC=CCC1 SY292105 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.3 O=C1CC=CCN1 SY270920 [1,0,0,1,0,0|1,0,1]=4 329 B7R1.3 O=C1CCCCN1 SY011119 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.3 O=C1CCCCO1 SY018264 [1,0,0,1,0,0|0,0,1]=3 331 B7R1.3 O=C1CCCCS1 SY222230 [1,0,0,1,0,0|0,1,1]=4 332 B7R1.3 O=C1CCCNC1 SY025656 [1,0,0,1,0,0|1,0,1]=4 333 B7R1.3 O=C1CCCOC1 SY003102 [1,0,0,1,0,0|0,0,1]=3 334 B7R1.3 O=C1CCNCC1 SY002027 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.3 O=C1CCNCC1 SY107185 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.3 O=C1CCSCC1 SY007101 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.3 O=C1CNCCO1 SY047308 [1,0,0,1,0,0|1,0,1]=4 338 B7R1.3 O=C1COCCN1 SY003974 [1,0,0,1,0,0|1,0,1]=4 339 B7R1.3 O=C1COCCO1 SY055447 [1,0,0,1,0,0|1,0,1]=4 340 B7R1.3 O=C1NCCCO1 SY005699 [1,0,0,1,0,0|1,0,1]=4 341 B7R1.10 CCC1CC(=O)C1 SY200344 [1,0,0,1,0,0|1,0,1]=4 342 B7R1.10 COC1CC(=O)C1 SY098914 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.10 N#CC1CC(=O)C1 SY024404 [1,0,0,1,0,0|1,0,1]=4 344 B7R1.10 O=C1CC(CBr)O1 SY250803 [1,0,0,1,0,0|1,0,1]=4 345 B7R1.10 O=C1C[C@@H](CO)N1 SY278869 [1,0,0,1,0,0|1,0,1]=4 346 B7R1.12 CC1=CC1C(=O)O SY273475 [1,0,0,1,0,0|0,0,1]=3 347 B7R1.12 O=C(O)C1CC1F SY073271 [1,0,0,1,0,0|1,0,1]=4 348 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY069957 [1,0,0,1,0,0|1,0,1]=4 349 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY071317 [1,0,0,1,0,0|1,0,1]=4 350 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I SY263918 [1,0,0,1,0,0|1,0,1]=4 351 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SY071548 [1,0,0,1,0,0|1,0,1]=4 352 B7R1.12 O=C(O)[C@H]1C[C@H]1F SY071316 [1,0,0,1,0,0|1,0,1]=4 353 B7R1.12 O=C(O)[C@H]1C[C@H]1I SY245634 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.18 NC(=O)C1CCC1 SY026669 [1,0,0,1,0,0|1,0,1]=4 355 B7R1.18 O=C(O)C1CCN1 SY013679 [1,0,0,1,0,0|1,0,1]=4 356 B7R1.18 O=C(O)C1CCO1 SY033341 [1,0,0,1,0,0|0,0,2]=4 357 B7R1.18 O=C(O)C1CNC1 SY002050 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.18 O=C(O)C1COC1 SY008837 [1,0,0,1,0,0|1,0,0]=3 359 B7R1.18 O=C(O)[C@@H]1CCN1 SY004809 [1,0,0,1,0,0|1,0,1]=4 360 B7R1.18 O=C(O)[C@@H]1CCO1 SY269134 [1,0,0,1,0,0|0,0,2]=4 361 B7R1.18 O=C(O)[C@H]1CCN1 SY077312 [1,0,0,1,0,0|1,0,1]=4 362 B7R1.20 O=C(Cl)CC1CC1 SY237128 [1,0,0,1,0,0|1,0,1]=4 363 B7R1.16 CC1(O)CC(=O)C1 SY297165 [0,0,0,1,1,0|1,0,1]=4 364 B9R1.35 CC(=O)N1CCC(O)C1 SY012351 [0,0,0,1,0,1|1,0,1]=4 365 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SY005003 [0,0,0,1,0,1|1,0,1]=4 366 B9R1.35 CC(=O)N1CC[C@H](O)C1 SY005004 [0,0,0,1,0,1|1,0,1]=4 367 B9R1.35 CN1CCC(C(=O)O)C1 SY019266 [0,0,0,1,0,1|2,0,0]=4 368 B9R1.35 CN1CCC(C(=O)O)C1 SY020059 [0,0,0,1,0,1|2,0,0]=4 369 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 SY258090 [0,0,0,1,0,1|1,0,1]=4 370 B9R1.35 NC1CCC(C(=O)O)C1 SY006149 [0,0,0,1,0,1|1,0,1]=4 371 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY025607 [0,0,0,1,0,1|1,0,1]=4 372 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY029549 [0,0,0,1,0,1|1,0,1]=4 373 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SY016353 [0,0,0,1,0,1|1,0,1]=4 374 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SY098915 [0,0,0,1,0,1|1,0,1]=4 375 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SY003829 [0,0,0,1,0,1|0,0,2]=4 376 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 SY293378 [0,0,0,1,0,1|1,0,1]=4 377 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY018168 [0,0,0,1,0,1|1,0,1]=4 378 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY098988 [0,0,0,1,0,1|1,0,1]=4 379 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY009611 [0,0,0,1,0,1|0,0,2]=4 380 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY017668 [0,0,0,1,0,1|0,0,2]=4 381 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY003831 [0,0,0,1,0,1|0,0,2]=4 382 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY009616 [0,0,0,1,0,1|0,0,2]=4 383 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY008137 [0,0,0,1,0,1|0,0,2]=4 384 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY009610 [0,0,0,1,0,1|0,0,2]=4 385 B9R1.35 O=C1CC(C(=O)O)CN1 SY041979 [0,0,0,1,0,1|0,0,0]=2 386 B9R1.35 O=C1CCC(C(=O)O)C1 SY007001 [0,0,0,1,0,1|0,0,0]=2 387 B9R1.35 O=C1CCC(C(=O)O)O1 SY278788 [0,0,0,1,0,1|1,0,0]=3 388 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 SY010496 [0,0,0,1,0,1|1,0,0]=3 389 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SY059752 [0,0,0,1,0,1|0,0,0]=2 390 B9R1.35 O=C1CC[C@H](C(=O)O)N1 SY002490 [0,0,0,1,0,1|1,0,0]=3 391 B9R1.35 O=C1CC[C@H](C(=O)O)O1 SY038942 [0,0,0,1,0,1|1,0,0]=3 392 B9R1.35 O=C1NCC(C(=O)O)N1 SY035223 [0,0,0,1,0,1|1,0,0]=3 393 B9R1.53 CC(=O)OC1CC(=O)C1 SY025795 [0,0,0,1,0,1|1,0,0]=3 394 B9R1.66 CC1(O)CCOC(=O)C1 SY032939 [0,0,0,1,0,1|1,0,1]=4 395 B9R1.85 O=C(O)CCNC1CC1 SY034664 [0,0,0,1,0,1|1,0,1]=4 396 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O SY040982 [0,0,0,1,0,1|1,0,0]=3 397 B9R1.1 COC1CCC(=O)CC1 SY022709 [0,1,0,1,0,0|1,0,1]=4 398 B9R1.10 O=C1CCS(=O)(=O)CC1 SY031873 [0,1,0,1,0,0|1,0,1]=4 399 B9R1.69 CC1CCC(=O)CC1=O SY271609 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.69 CN1CCC(=O)CC1=O SY026428 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.82 C=C1CC(C(=O)OC)C1 SY102626 [0,1,0,1,0,0|1,0,0]=3 402 B9R1.82 COC(=O)C1CC(=O)C1 SY012186 [0,1,0,1,0,0|0,0,0]=2 403 B9R1.82 COC(=O)C1CC(Cl)C1 SY029205 [0,1,0,1,0,0|1,0,1]=4 404 B9R1.82 COC(=O)C1CC(N)C1 SY016137 [0,1,0,1,0,0|1,0,1]=4 405 B9R1.82 COC(=O)C1CC(O)C1 SY039196 [0,1,0,1,0,0|0,0,2]=4 406 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 SY097362 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 SY099839 [0,1,0,1,0,0|0,0,2]=4 408 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 SY043131 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SY035882 [0,1,0,1,0,0|0,0,2]=4 410 B9R1.84 O=C(O)CCC1CCC1 SY132058 [0,1,0,1,0,0|1,0,1]=4 411 B9R1.95 COC1CC(C(=O)O)C1 SY099991 [0,1,0,1,0,0|0,0,2]=4 412 B9R1.95 O=C(O)C1CC(CO)C1 SY045202 [0,1,0,1,0,0|0,0,2]=4 413 B9R1.112 N[C@@H](CC1CC1)C(=O)O SY035270 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.112 N[C@H](CC1CC1)C(=O)O SY021328 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.137 NC(CC(=O)O)C1CC1 SY015526 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.164 CC1(C)CC(C(=O)O)C1 SY042064 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.164 O=C(O)C1CC(F)(F)C1 SY016802 [0,1,0,1,0,0|1,0,1]=4 418 B9R1.164 O=C(O)C1CS(=O)(=O)C1 SY043109 [0,1,0,1,0,0|1,0,0]=3 419 B9R2.145 O=C(O)C12CC(C1)C2 SY042507 [0,0,0,2,0,0|1,0,1]=4 420 B9R2.143 O=C(O)C1CC12CC2 SY192623 [0,0,0,2,0,0|1,0,1]=4 421 B9R2.143 O=C(O)[C@@H]1CC12CC2 SY288296 [0,0,0,2,0,0|1,0,1]=4 422 B9R2.143 O=C(O)[C@H]1CC12CC2 SY292257 [0,0,0,2,0,0|1,0,1]=4 423 B5R0.5 C=C(C)C(N)=O SY010261 [0,0,0,0,2,0|2,0,0]=4 424 B5R0.5 C=C(F)C(=O)O SY021247 [0,0,0,0,2,0|1,0,1]=4 425 B5R0.5 CC(N)C(=O)O SY005245 [0,0,0,0,2,0|1,0,1]=4 426 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [0,0,0,0,2,0|1,0,1]=4 427 B5R0.5 C[C@@H](N)C(=O)O SY002277 [0,0,0,0,2,0|1,0,1]=4 428 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [0,0,0,0,2,0|1,0,1]=4 429 B9R0.55 CC(C)=CCCCC(=O)O SY253607 [0,0,0,0,0,2|1,0,0]=3 430 B9R0.55 CN(C)CCCCC(=O)O SY018643 [0,0,0,0,0,2|2,0,0]=4 431 B9R0.55 CN(C)CCCCC(=O)O SY019232 [0,0,0,0,0,2|2,0,0]=4