0 B9R1.35 CC(=O)N1CCC(N)C1 SY005627 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)N1CCC(O)C1 SY012351 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SY005003 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC(=O)N1CC[C@H](O)C1 SY005004 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CN1CCC(C(=O)O)C1 SY019266 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CN1CCC(C(=O)O)C1 SY020059 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 SY258090 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 SY026002 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.35 NC1CCC(C(=O)O)C1 SY006149 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 N[C@@H]1C=C[C@@H](C(=O)O)C1 SY266096 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY025607 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY029549 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SY016353 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SY098915 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SY003829 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 SY293378 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY018168 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY098988 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY009611 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY017668 [0,0,0,0,0,0|0,0,0]=0 20 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY003831 [0,0,0,0,0,0|0,0,0]=0 21 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY009616 [0,0,0,0,0,0|0,0,0]=0 22 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY008137 [0,0,0,0,0,0|0,0,0]=0 23 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY009610 [0,0,0,0,0,0|0,0,0]=0 24 B9R1.35 O=C1CC(C(=O)O)CN1 SY041979 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.35 O=C1CCC(C(=O)O)C1 SY007001 [0,0,0,0,0,0|1,0,2]=3 26 B9R1.35 O=C1CCC(C(=O)O)O1 SY278788 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 SY010496 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SY059752 [0,0,0,0,0,0|1,0,2]=3 29 B9R1.35 O=C1CC[C@H](C(=O)O)N1 SY002490 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.35 O=C1CC[C@H](C(=O)O)O1 SY038942 [0,0,0,0,0,0|2,0,2]=4 31 B8R1.1 N#C[C@@H]1C[C@H](F)CN1 SY029458 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.1 N#C[C@H]1C[C@@H](F)CN1 SY279399 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.1 N#C[C@H]1C[C@H](F)CN1 SY279401 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 SY252911 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.1 NC[C@@H]1CC[C@H](O)C1 SY252910 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 SY069048 [1,0,0,0,0,0|0,0,1]=2 37 B8R1.7 CC(=O)C1CCCC1 SY035519 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 CC(C)[C@@H]1CCCN1 SY099556 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 FC(F)C1CCCN1 SY039463 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.7 NC(=O)C1CCCO1 SY012530 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.7 NC(=O)[C@@H]1CCCN1 SY003793 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.7 NC(=O)[C@@H]1CCNC1 SY010578 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 NC(=O)[C@H]1CCCN1 SY008764 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.7 NC(=O)[C@H]1CCNC1 SY008249 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 NC(=O)[C@H]1CCNC1 SY024593 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.7 NC(=S)C1CCCC1 SY175580 [1,0,0,0,0,0|2,1,0]=4 47 B8R1.7 O=C(Cl)C1CCCO1 SY084361 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.7 O=C(Cl)C1CCOC1 SY211383 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.7 O=C(O)C1=CCCC1 SY027520 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.7 O=C(O)C1=COCC1 SY027844 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.7 O=C(O)C1C=CCN1 SY251245 [1,0,0,0,0,0|0,0,2]=3 52 B8R1.7 O=C(O)C1CC=CC1 SY003813 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.7 O=C(O)C1CCCN1 SY006205 [1,0,0,0,0,0|0,0,0]=1 54 B8R1.7 O=C(O)C1CCNC1 SY008997 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.7 O=C(O)C1CCOC1 SY031543 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 O=C(O)[C@@H]1C=CCN1 SY022074 [1,0,0,0,0,0|0,0,2]=3 57 B8R1.7 O=C(O)[C@@H]1CCCN1 SY001305 [1,0,0,0,0,0|0,0,0]=1 58 B8R1.7 O=C(O)[C@@H]1CCCO1 SY016392 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.7 O=C(O)[C@@H]1CCNC1 SY010178 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 O=C(O)[C@@H]1CCOC1 SY016391 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 O=C(O)[C@H]1C=CCN1 SY251243 [1,0,0,0,0,0|0,0,2]=3 62 B8R1.7 O=C(O)[C@H]1CCCN1 SY001352 [1,0,0,0,0,0|0,0,0]=1 63 B8R1.7 O=C(O)[C@H]1CCNC1 SY010177 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.7 O=C(O)[C@H]1CCOC1 SY016390 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.7 O=C([O-])C1CCC=N1 SY100503 [1,0,0,0,0,0|0,0,3]=4 66 B8R1.7 OB(O)C1CCCC1 SY023521 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.7 OC(=S)[C@@H]1CCCO1 SY299828 [1,0,0,0,0,0|1,1,0]=3 68 B10R1.14 COC(=O)C1CCC(=O)C1 SY009632 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.14 COC(=O)C1CCC(N)C1 SY021245 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 SY273580 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 SY274014 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 SY029550 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 SY038599 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SY004227 [0,1,0,0,0,0|0,0,0]=1 75 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SY264919 [0,1,0,0,0,0|0,0,0]=1 76 B10R1.14 COC(=O)[C@@H]1C[C@H](C)CN1 SY246556 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 SY010390 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 SY020138 [0,1,0,0,0,0|0,0,0]=1 79 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 SY020555 [0,1,0,0,0,0|0,0,0]=1 80 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 SY022109 [0,1,0,0,0,0|0,0,0]=1 81 B10R1.58 O=C(O)C1C[C@H](F)[C@H](F)C1 SY302362 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O SY279078 [0,1,0,0,0,0|0,0,0]=1 83 B10R1.359 NC(=O)[C@@H]1CC(F)(F)CN1 SY233673 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.359 O=C(O)C1CCC(F)(F)C1 SY042234 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.8 CCCCC(N)C(=O)O SY038236 [0,0,1,0,0,0|3,0,0]=4 86 B8R0.8 CCCC[C@@H](N)C(=O)O SY062052 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.8 CCCC[C@H](N)C(=O)O SY036145 [0,0,1,0,0,0|3,0,0]=4 88 B8R0.8 NCCCC(N)C(=O)O SY005810 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.8 NCCC[C@@H](N)C(=O)O SY007936 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.8 NCCC[C@H](N)C(=O)O SY005520 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.8 NCCC[C@H](N)C(=O)O SY066991 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.8 N[C@@H](CCCO)C(=O)O SY269711 [0,0,1,0,0,0|2,0,0]=3 93 B8R0.9 C=C[C@@H](N)CCC(=O)O SY263247 [0,0,1,0,0,0|2,0,1]=4 94 B8R0.9 CCC(=O)CCC(=O)O SY270773 [0,0,1,0,0,0|1,0,2]=4 95 B8R0.9 CCC(Cl)CCC(=O)Cl SY027792 [0,0,1,0,0,0|3,0,0]=4 96 B8R0.9 NCC(=O)CCC(=O)O SY017972 [0,0,1,0,0,0|0,0,2]=3 97 B8R0.9 NCC(=O)NCC(=O)O SY018005 [0,0,1,0,0,0|1,0,2]=4 98 B8R0.15 CCCC(OC)C(=O)O SY057656 [0,0,1,0,0,0|2,0,0]=3 99 B8R0.15 CCOC(CC)C(=O)O SY057654 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.23 CC(C)CC(N)C(=O)O SY006365 [0,0,1,0,0,0|1,0,0]=2 101 B8R0.23 CC(C)C[C@@H](N)C(=O)O SY033229 [0,0,1,0,0,0|1,0,0]=2 102 B8R0.23 CC(C)C[C@@H](O)C(=O)O SY066416 [0,0,1,0,0,0|2,0,0]=3 103 B8R0.23 CC(C)C[C@H](N)C(=O)O SY005863 [0,0,1,0,0,0|1,0,0]=2 104 B8R0.23 CC(C)C[C@H](O)C(=O)O SY066744 [0,0,1,0,0,0|2,0,0]=3 105 B8R0.23 CC(CC(=O)O)C(=O)O SY036933 [0,0,1,0,0,0|2,0,1]=4 106 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SY104041 [0,0,1,0,0,0|2,0,1]=4 107 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SY004421 [0,0,1,0,0,0|1,0,2]=4 108 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SY008178 [0,0,1,0,0,0|1,0,2]=4 109 B8R0.23 NC(=O)C[C@H](N)C(=O)O SY014875 [0,0,1,0,0,0|1,0,2]=4 110 B8R0.23 N[C@H](CC(=O)O)C(=O)O SY009812 [0,0,1,0,0,0|1,0,1]=3 111 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SY009804 [0,0,1,0,0,0|2,0,1]=4 112 B8R0.23 O=C(O)C[C@H](F)C(=O)O SY247078 [0,0,1,0,0,0|2,0,1]=4 113 B8R0.23 O=C(O)C[C@H](O)C(=O)O SY003313 [0,0,1,0,0,0|2,0,1]=4 114 B8R0.28 CC(=O)CCCC(=O)O SY015106 [0,0,1,0,0,0|1,0,2]=4 115 B8R0.28 CN(C)CCCC(=O)O SY058453 [0,0,1,0,0,0|3,0,0]=4 116 B8R0.28 O=C(O)CCCC(=O)O SY029948 [0,0,1,0,0,0|2,0,1]=4 117 B10R2.60 OC1CC2CC1CC2O SY224500 [0,0,0,1,0,0|2,0,1]=4 118 B10R2.178 O=C1NCC2CCC1C2 SY288304 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.23 C=C1CC(C(=O)O)C1 SY039273 [0,0,0,0,1,0|1,0,1]=3 120 B8R1.23 CC(=O)N1CC(N)C1 SY099776 [0,0,0,0,1,0|3,0,0]=4 121 B8R1.23 CC(=O)N1CC(O)C1 SY005005 [0,0,0,0,1,0|2,0,0]=3 122 B8R1.23 CC1CC(C(=O)O)C1 SY042063 [0,0,0,0,1,0|1,0,0]=2 123 B8R1.23 CN(C)C1CC(O)C1 SY260587 [0,0,0,0,1,0|3,0,0]=4 124 B8R1.23 CN1CC(C(=O)Cl)C1 SY247770 [0,0,0,0,1,0|3,0,0]=4 125 B8R1.23 CN1CC(C(=O)O)C1 SY097022 [0,0,0,0,1,0|2,0,0]=3 126 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SY026883 [0,0,0,0,1,0|1,0,0]=2 127 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SY026884 [0,0,0,0,1,0|1,0,0]=2 128 B8R1.23 O=C(O)C1CC(Cl)C1 SY024876 [0,0,0,0,1,0|1,0,0]=2 129 B8R1.23 O=C(O)C1CC(O)C1 SY098700 [0,0,0,0,1,0|0,0,0]=1 130 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SY042433 [0,0,0,0,1,0|0,0,0]=1 131 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SY042435 [0,0,0,0,1,0|0,0,0]=1 132 B8R1.23 O=C1CC(C(=O)O)C1 SY008366 [0,0,0,0,1,0|0,0,2]=3 133 B10R1.13 CC1CCC(C(=O)O)CC1 SY113256 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.13 CN1CCC(C(=O)O)CC1 SY014228 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 SY066773 [0,0,0,0,0,1|2,0,0]=3 136 B10R1.13 NC(=O)C1CCC(N)CC1 SY171834 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.13 NC1CCC(C(=O)O)CC1 SY029216 [0,0,0,0,0,1|2,0,0]=3 138 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 SY002609 [0,0,0,0,0,1|2,0,0]=3 139 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SY026590 [0,0,0,0,0,1|2,0,0]=3 140 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SY038982 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.13 O=C(O)C1CCC(O)CC1 SY011572 [0,0,0,0,0,1|1,0,0]=2 142 B10R1.13 O=C(O)C1CCC(O)CC1 SY285104 [0,0,0,0,0,1|1,0,0]=2 143 B10R1.13 O=C(O)C1CCC(O)CN1 SY232837 [0,0,0,0,0,1|0,0,0]=1 144 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 SY235536 [0,0,0,0,0,1|0,0,0]=1 145 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 SY016503 [0,0,0,0,0,1|1,0,0]=2 146 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 SY011571 [0,0,0,0,0,1|1,0,0]=2 147 B10R1.13 O=C1CCC(C(=O)O)CC1 SY018365 [0,0,0,0,0,1|1,0,2]=4 148 B10R1.13 O=C1CCC(C(=O)O)CN1 SY008266 [0,0,0,0,0,1|1,0,2]=4 149 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 SY096978 [0,0,0,0,0,1|2,0,1]=4 150 B10R1.54 CC(=O)O[C@H]1C=C[C@H](O)C1 SY291850 [0,0,0,0,0,1|2,0,1]=4 151 B10R1.113 CN1CCCC(C(=O)O)C1 SY081587 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.113 NC1CCCC(C(=O)O)C1 SY003294 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SY025809 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.113 O=C(O)C1CCCC(O)C1 SY043163 [0,0,0,0,0,1|1,0,0]=2 155 B10R1.113 O=C(O)C1CNCC(O)C1 SY003650 [0,0,0,0,0,1|0,0,0]=1 156 B10R1.113 O=C(O)C1CNCC(O)C1 SY003665 [0,0,0,0,0,1|0,0,0]=1 157 B10R1.113 O=C1CC(C(=O)O)CCN1 SY039894 [0,0,0,0,0,1|1,0,2]=4 158 B10R1.113 O=C1CCCC(C(=O)O)C1 SY026629 [0,0,0,0,0,1|1,0,2]=4 159 B7R0.3 C[C@@H](CN)CCCO SY267124 [1,0,1,0,0,0|1,0,1]=4 160 B7R0.3 C[C@@H](CN)CCCO SY267125 [1,0,1,0,0,0|1,0,1]=4 161 B7R0.4 C#CCCCC(=O)O SY026710 [1,0,1,0,0,0|1,0,1]=4 162 B7R0.4 C=CCCCC(=O)O SY050075 [1,0,1,0,0,0|1,0,1]=4 163 B7R0.4 CC(O)CSCCO SY269034 [1,0,1,0,0,0|1,0,1]=4 164 B7R0.4 CCCCCC(N)=O SY051726 [1,0,1,0,0,0|2,0,0]=4 165 B7R0.4 CCCOCC(=O)O SY025048 [1,0,1,0,0,0|1,0,0]=3 166 B7R0.4 CNCCCC(=O)O SY032531 [1,0,1,0,0,0|2,0,0]=4 167 B7R0.4 COCCCC(=O)O SY045907 [1,0,1,0,0,0|2,0,0]=4 168 B7R0.4 N#CCCCC(=O)O SY008532 [1,0,1,0,0,0|0,0,2]=4 169 B7R0.4 NC(=O)CCCCBr SY253590 [1,0,1,0,0,0|2,0,0]=4 170 B7R0.4 NC(=O)CCCCCl SY184285 [1,0,1,0,0,0|2,0,0]=4 171 B7R0.4 NCCCCC(=O)O SY002964 [1,0,1,0,0,0|0,0,0]=2 172 B7R0.4 NCCCCC(N)=O SY247757 [1,0,1,0,0,0|1,0,0]=3 173 B7R0.4 O=C(Cl)CCCCF SY270893 [1,0,1,0,0,0|2,0,0]=4 174 B7R0.4 O=C(O)CCCCCl SY051600 [1,0,1,0,0,0|1,0,0]=3 175 B7R0.4 O=C(O)CCCCS SY141369 [1,0,1,0,0,0|1,0,0]=3 176 B7R0.4 O=C(O)COCCCl SY030518 [1,0,1,0,0,0|2,0,0]=4 177 B7R0.4 O=C([O-])CCCCO SY019284 [1,0,1,0,0,0|1,0,1]=4 178 B7R0.5 C#CCC(N)C(=O)O SY139497 [1,0,1,0,0,0|0,0,2]=4 179 B7R0.5 C#CC[C@@H](N)C(=O)O SY105090 [1,0,1,0,0,0|0,0,2]=4 180 B7R0.5 C=CCC(C)C(=O)O SY048335 [1,0,1,0,0,0|1,0,1]=4 181 B7R0.5 C=CCC(N)C(=O)O SY052428 [1,0,1,0,0,0|0,0,2]=4 182 B7R0.5 C=CC[C@@H](N)C(=O)O SY064478 [1,0,1,0,0,0|0,0,2]=4 183 B7R0.5 C=CC[C@H](N)C(=O)O SY008709 [1,0,1,0,0,0|0,0,2]=4 184 B7R0.5 CC(=O)C(C)CCBr SY247638 [1,0,1,0,0,0|2,0,0]=4 185 B7R0.5 CC(CCCl)C(=O)Cl SY027796 [1,0,1,0,0,0|2,0,0]=4 186 B7R0.5 CC=CC(C)C(=O)O SY254091 [1,0,1,0,0,0|1,0,1]=4 187 B7R0.5 CCCC(N)C(=O)O SY035722 [1,0,1,0,0,0|0,0,0]=2 188 B7R0.5 CCCC(O)C(N)=O SY251045 [1,0,1,0,0,0|2,0,0]=4 189 B7R0.5 CCC[C@@H](N)C(=O)O SY019949 [1,0,1,0,0,0|0,0,0]=2 190 B7R0.5 CCC[C@H](N)C(=O)O SY001938 [1,0,1,0,0,0|0,0,0]=2 191 B7R0.5 CCOC(C)C(=O)O SY040144 [1,0,1,0,0,0|1,0,0]=3 192 B7R0.5 CNC[C@H](N)C(=O)O SY013432 [1,0,1,0,0,0|1,0,0]=3 193 B7R0.5 COCC(N)C(=O)O SY034134 [1,0,1,0,0,0|1,0,0]=3 194 B7R0.5 COC[C@@H](N)C(=O)O SY023999 [1,0,1,0,0,0|1,0,0]=3 195 B7R0.5 COC[C@H](N)C(=O)O SY114490 [1,0,1,0,0,0|1,0,0]=3 196 B7R0.5 NC(CCO)C(=O)O SY005812 [1,0,1,0,0,0|0,0,0]=2 197 B7R0.5 NCCC(N)C(=O)O SY005642 [1,0,1,0,0,0|1,0,0]=3 198 B7R0.5 NCC[C@@H](N)C(=O)O SY005641 [1,0,1,0,0,0|1,0,0]=3 199 B7R0.5 NCC[C@H](N)C(=O)O SY005640 [1,0,1,0,0,0|1,0,0]=3 200 B7R0.5 NCC[C@H](O)C(=O)O SY008713 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.5 N[C@@H](CCO)C(=O)O SY005811 [1,0,1,0,0,0|0,0,0]=2 202 B7R0.5 N[C@@H](CCS)C(=O)O SY026382 [1,0,1,0,0,0|0,1,0]=3 203 B7R0.5 N[C@H](CCO)C(=O)O SY014844 [1,0,1,0,0,0|0,0,0]=2 204 B7R0.6 CC(=O)OCC(C)O SY272306 [1,0,1,0,0,0|2,0,0]=4 205 B7R0.6 CC(C)CCC(=O)O SY001693 [1,0,1,0,0,0|1,0,0]=3 206 B7R0.6 CC(Cl)CCC(=O)Cl SY027798 [1,0,1,0,0,0|2,0,0]=4 207 B7R0.6 CC(O)CCC(=O)[O-] SY159293 [1,0,1,0,0,0|0,0,1]=3 208 B7R0.6 CN(C)CCC(=O)O SY031864 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.6 C[C@@H](N)CCC(=O)O SY297613 [1,0,1,0,0,0|1,0,0]=3 210 B7R0.6 C[C@H](N)CCC(=O)O SY297612 [1,0,1,0,0,0|1,0,0]=3 211 B7R0.15 CCC(CC)C(N)=O SY096552 [1,0,1,0,0,0|2,0,0]=4 212 B7R0.15 CCC(OC)C(=O)O SY057653 [1,0,1,0,0,0|1,0,0]=3 213 B7R0.15 CN[C@@H](CS)C(=O)O SY237929 [1,0,1,0,0,0|0,1,0]=3 214 B7R0.2 CC(C)CC(N)CO SY030475 [1,0,1,0,0,0|1,0,1]=4 215 B7R0.2 CC(C)C[C@@H](N)CO SY030474 [1,0,1,0,0,0|1,0,1]=4 216 B7R0.2 CC(C)C[C@H](N)CO SY014112 [1,0,1,0,0,0|1,0,1]=4 217 B7R1.1 CC[C@@H]1CCCN1 SY103107 [2,0,0,0,0,0|1,0,1]=4 218 B7R1.1 FC[C@H]1CCCN1 SY098832 [2,0,0,0,0,0|1,0,1]=4 219 B7R1.1 N#CC1CCCN1 SY026581 [2,0,0,0,0,0|1,0,1]=4 220 B7R1.1 N#C[C@@H]1CCCN1 SY006280 [2,0,0,0,0,0|1,0,1]=4 221 B7R1.1 N#C[C@H]1CCCN1 SY007468 [2,0,0,0,0,0|1,0,1]=4 222 B7R1.1 O=CC1CCCC1 SY004589 [2,0,0,0,0,0|1,0,0]=3 223 B7R1.1 O=CC1CCCO1 SY024520 [2,0,0,0,0,0|1,0,0]=3 224 B7R1.1 O=CC1CCOC1 SY046752 [2,0,0,0,0,0|2,0,0]=4 225 B7R1.1 O=CN1CCCC1 SY252984 [2,0,0,0,0,0|2,0,0]=4 226 B7R1.1 OCC1CCCC1 SY006011 [2,0,0,0,0,0|1,0,1]=4 227 B7R1.1 OCC1CCCN1 SY013851 [2,0,0,0,0,0|0,0,1]=3 228 B7R1.1 OC[C@@H]1CCCO1 SY227666 [2,0,0,0,0,0|1,0,1]=4 229 B7R1.1 OC[C@H]1CCCN1 SY013466 [2,0,0,0,0,0|0,0,1]=3 230 B7R1.1 OC[C@H]1CCCO1 SY106537 [2,0,0,0,0,0|1,0,1]=4 231 B7R1.2 CC1CNC(=O)C1 SY065050 [2,0,0,0,0,0|1,0,1]=4 232 B7R1.2 C[C@@H]1C[C@H](O)CN1 SY038467 [2,0,0,0,0,0|0,0,1]=3 233 B7R1.2 C[C@H]1C[C@@H](O)CN1 SY099690 [2,0,0,0,0,0|0,0,1]=3 234 B7R1.2 NC1CCC(O)C1 SY097023 [2,0,0,0,0,0|2,0,0]=4 235 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SY021340 [2,0,0,0,0,0|2,0,0]=4 236 B7R1.2 N[C@@H]1CC[C@H](O)C1 SY045306 [2,0,0,0,0,0|2,0,0]=4 237 B7R1.2 N[C@H]1CC[C@@H](O)C1 SY198445 [2,0,0,0,0,0|2,0,0]=4 238 B7R1.2 N[C@H]1CC[C@H](O)C1 SY021301 [2,0,0,0,0,0|2,0,0]=4 239 B7R1.2 N[C@H]1CC[C@H](O)C1 SY259001 [2,0,0,0,0,0|2,0,0]=4 240 B7R1.2 O=C1CC(O)CN1 SY031844 [2,0,0,0,0,0|0,0,1]=3 241 B7R1.2 O=C1CCC(O)C1 SY040217 [2,0,0,0,0,0|1,0,1]=4 242 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [2,0,0,0,0,0|0,0,1]=3 243 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [2,0,0,0,0,0|1,0,1]=4 244 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [2,0,0,0,0,0|0,0,1]=3 245 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [2,0,0,0,0,0|1,0,1]=4 246 B9R0.13 CCCCC(OC)C(=O)O SY057659 [0,1,1,0,0,0|2,0,0]=4 247 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O SY074228 [0,1,1,0,0,0|2,0,0]=4 248 B9R0.24 COC(=O)CCC(=O)CN SY023721 [0,1,1,0,0,0|0,0,2]=4 249 B9R0.12 C=CCC(NC)C(=O)OC SY293825 [0,1,1,0,0,0|1,0,1]=4 250 B9R0.15 CCCC(OCC)C(=O)O SY057661 [0,1,1,0,0,0|2,0,0]=4 251 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O SY240703 [0,1,1,0,0,0|1,0,0]=3 252 B9R0.33 CCCC(C(=O)O)C(C)C SY146898 [0,1,1,0,0,0|2,0,0]=4 253 B9R0.39 CNC(CC(C)C)C(=O)O SY022445 [0,1,1,0,0,0|1,0,0]=3 254 B9R0.39 CN[C@H](CC(=O)O)C(=O)O SY035118 [0,1,1,0,0,0|0,0,1]=3 255 B9R0.11 CC(C)CC(C)(O)C(=O)O SY022388 [0,1,1,0,0,0|2,0,0]=4 256 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O SY271892 [0,1,1,0,0,0|1,0,1]=4 257 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O SY035333 [0,1,1,0,0,0|1,0,0]=3 258 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O SY119940 [0,1,1,0,0,0|1,0,0]=3 259 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O SY104814 [0,1,1,0,0,0|1,0,0]=3 260 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SY254571 [0,1,1,0,0,0|1,0,0]=3 261 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY065306 [0,1,1,0,0,0|2,0,0]=4 262 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY254213 [0,1,1,0,0,0|2,0,0]=4 263 B9R0.53 CN(CC(=O)O)CC(=O)O SY011911 [0,1,1,0,0,0|1,0,1]=4 264 B9R1.22 CN1C[C@H](F)C[C@H]1CO SY282373 [1,1,0,0,0,0|1,0,1]=4 265 B9R1.133 OC[C@@H]1CC(F)(F)CN1 SY098290 [1,1,0,0,0,0|1,0,1]=4 266 B9R1.11 COC(=O)C1=CCCC1 SY017441 [1,1,0,0,0,0|1,0,1]=4 267 B9R1.11 COC(=O)C1CCCC1 SY049570 [1,1,0,0,0,0|1,0,0]=3 268 B9R1.11 COC(=O)C1CCCN1 SY033211 [1,1,0,0,0,0|0,0,0]=2 269 B9R1.11 COC(=O)C1CCNC1 SY008084 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.11 COC(=O)C1CCOC1 SY042132 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.11 COC(=O)[C@@H]1CCCN1 SY005778 [1,1,0,0,0,0|0,0,0]=2 272 B9R1.11 COC(=O)[C@@H]1CCNC1 SY097075 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.11 COC(=O)[C@@H]1CCNC1 SY122122 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.11 COC(=O)[C@H]1CCCN1 SY018101 [1,1,0,0,0,0|0,0,0]=2 275 B9R1.11 COC(=O)[C@H]1CCNC1 SY105039 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.41 CN1CCC[C@@H]1C(=O)O SY004606 [1,1,0,0,0,0|0,0,0]=2 277 B9R1.41 CN1CCC[C@@H]1C(=O)O SY012525 [1,1,0,0,0,0|0,0,0]=2 278 B9R1.41 CN1CCC[C@H]1C(=O)O SY004607 [1,1,0,0,0,0|0,0,0]=2 279 B9R1.41 CN1CCC[C@H]1C(=O)O SY004777 [1,1,0,0,0,0|0,0,0]=2 280 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C SY300195 [1,1,0,0,0,0|1,0,1]=4 281 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O SY024590 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O SY024589 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.41 O=C(O)C1CCOC1=O SY273670 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O SY007714 [1,1,0,0,0,0|0,0,0]=2 285 B9R1.163 CC1(C(=O)O)CCCO1 SY012393 [1,1,0,0,0,0|1,0,0]=3 286 B9R1.163 CC1(C(=O)O)CCNC1 SY101588 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.163 C[C@@]1(C(=O)O)CCCN1 SY018577 [1,1,0,0,0,0|0,0,0]=2 288 B9R1.163 C[C@@]1(C(=O)O)CCCN1 SY098797 [1,1,0,0,0,0|0,0,0]=2 289 B9R1.163 C[C@@]1(C(N)=O)CCCN1 SY025997 [1,1,0,0,0,0|1,0,0]=3 290 B9R1.163 C[C@]1(C(=O)O)CCCN1 SY027335 [1,1,0,0,0,0|0,0,0]=2 291 B9R1.163 NC1(C(=O)O)CCCC1 SY002601 [1,1,0,0,0,0|1,0,0]=3 292 B9R1.163 NC1(C(=O)O)CCOC1 SY039342 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.163 O=C(O)C1(F)CCCC1 SY039481 [1,1,0,0,0,0|1,0,0]=3 294 B9R1.163 O=C(O)C1(O)CCCC1 SY031777 [1,1,0,0,0,0|1,0,0]=3 295 B9R1.82 C=C1CC(C(=O)OC)C1 SY102626 [0,1,0,0,1,0|1,0,1]=4 296 B9R1.82 COC(=O)C1CC(=O)C1 SY012186 [0,1,0,0,1,0|0,0,2]=4 297 B9R1.82 COC(=O)C1CC(Cl)C1 SY029205 [0,1,0,0,1,0|1,0,0]=3 298 B9R1.82 COC(=O)C1CC(N)C1 SY016137 [0,1,0,0,1,0|1,0,0]=3 299 B9R1.82 COC(=O)C1CC(O)C1 SY039196 [0,1,0,0,1,0|0,0,0]=2 300 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 SY097362 [0,1,0,0,1,0|1,0,0]=3 301 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 SY099839 [0,1,0,0,1,0|0,0,0]=2 302 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 SY043131 [0,1,0,0,1,0|1,0,0]=3 303 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SY035882 [0,1,0,0,1,0|0,0,0]=2 304 B9R1.82 O=C(CCl)N1CC(O)C1 SY271707 [0,1,0,0,1,0|2,0,0]=4 305 B9R1.95 COC1CC(C(=O)O)C1 SY099991 [0,1,0,0,1,0|0,0,0]=2 306 B9R1.95 O=C(O)C1CC(CO)C1 SY045202 [0,1,0,0,1,0|0,0,0]=2 307 B9R1.164 CC1(C)CC(C(=O)O)C1 SY042064 [0,1,0,0,1,0|1,0,0]=3 308 B9R1.164 O=C(O)C1CC(F)(F)C1 SY016802 [0,1,0,0,1,0|1,0,0]=3 309 B9R1.164 O=C(O)C1CS(=O)(=O)C1 SY043109 [0,1,0,0,1,0|1,0,1]=4 310 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 SY005761 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.3 COC1CCC(C(=O)O)CC1 SY042447 [0,1,0,0,0,1|1,0,0]=3 312 B11R1.3 N#C[C@H]1CC[C@H](C(=O)O)CC1 SY260643 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 SY011438 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.3 O=C(O)[C@H]1CC[C@H](CO)CC1 SY119868 [0,1,0,0,0,1|1,0,0]=3 315 B11R1.22 COC(=O)C1CCC(C)NC1 SY026423 [0,1,0,0,0,1|2,0,0]=4 316 B11R1.22 COC(=O)C1CCC(O)CC1 SY007448 [0,1,0,0,0,1|1,0,0]=3 317 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 SY027952 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 SY025856 [0,1,0,0,0,1|1,0,0]=3 319 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 SY022827 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 SY028590 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 SY026489 [0,1,0,0,0,1|1,0,0]=3 322 B11R1.220 CC1CCC(N)(C(=O)O)CC1 SY263049 [0,1,0,0,0,1|2,0,0]=4 323 B11R1.727 CC1(C)CCC(C(=O)O)CC1 SY129185 [0,1,0,0,0,1|2,0,0]=4 324 B11R1.727 O=C(O)C1CCC(F)(F)CC1 SY017995 [0,1,0,0,0,1|2,0,0]=4 325 B11R1.23 COC(=O)C1CCCC(O)C1 SY028664 [0,1,0,0,0,1|1,0,0]=3 326 B11R1.23 COC(=O)C1CN(C)CCN1 SY300182 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.23 COC(=O)C1CNCC(O)C1 SY004052 [0,1,0,0,0,1|0,0,0]=2 328 B11R1.23 COC(=O)C1CNCC(O)C1 SY005900 [0,1,0,0,0,1|0,0,0]=2 329 B11R1.23 COC(=O)[C@H]1C[C@H](O)CCN1 SY046436 [0,1,0,0,0,1|0,0,0]=2 330 B11R1.15 CCOC(=O)C1CCC(F)C1 SY237131 [0,2,0,0,0,0|2,0,0]=4 331 B11R1.15 CCOC(=O)C1CCC(O)C1 SY237130 [0,2,0,0,0,0|1,0,0]=3 332 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](N)C1 SY292477 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.44 COC(=O)C1CCC(CO)N1 SY262843 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.225 COC(=O)[C@@H]1C[C@@H](O)CN1C SY011663 [0,2,0,0,0,0|0,0,0]=2 335 B11R1.226 COC(=O)[C@@H]1C[C@@H](O)C(=O)N1 SY249467 [0,2,0,0,0,0|0,0,1]=3 336 B11R1.866 COC(=O)C1CC(F)(F)CN1 SY241752 [0,2,0,0,0,0|1,0,0]=3 337 B11R1.866 COC(=O)[C@@H]1CC(C)(C)CN1 SY246557 [0,2,0,0,0,0|1,0,0]=3 338 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 SY030198 [0,2,0,0,0,0|1,0,0]=3 339 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 SY197264 [0,2,0,0,0,0|1,0,0]=3 340 B9R1.5 C[C@@H]1NCCCNC1=O SY271664 [0,0,1,1,0,0|2,0,0]=4 341 B9R1.5 C[C@H]1NCCCNC1=O SY267163 [0,0,1,1,0,0|2,0,0]=4 342 B9R1.6 NC(=O)C1CCCCN1 SY036410 [0,0,1,1,0,0|2,0,0]=4 343 B9R1.6 O=C(O)C1CCCCN1 SY002975 [0,0,1,1,0,0|1,0,0]=3 344 B9R1.6 O=C(O)C1CCCCO1 SY003244 [0,0,1,1,0,0|2,0,0]=4 345 B9R1.6 O=C(O)C1CCCNC1 SY001864 [0,0,1,1,0,0|2,0,0]=4 346 B9R1.6 O=C(O)C1CCCOC1 SY020666 [0,0,1,1,0,0|1,0,0]=3 347 B9R1.6 O=C(O)C1CNCCN1 SY002071 [0,0,1,1,0,0|1,0,0]=3 348 B9R1.6 O=C(O)C1CNCCN1 SY017866 [0,0,1,1,0,0|1,0,0]=3 349 B9R1.6 O=C(O)C1CNCCO1 SY004906 [0,0,1,1,0,0|2,0,0]=4 350 B9R1.6 O=C(O)C1CNCCO1 SY006475 [0,0,1,1,0,0|2,0,0]=4 351 B9R1.6 O=C(O)C1COCCN1 SY004043 [0,0,1,1,0,0|0,0,0]=2 352 B9R1.6 O=C(O)C1COCCN1 SY004044 [0,0,1,1,0,0|0,0,0]=2 353 B9R1.6 O=C(O)[C@@H]1CCCCN1 SY003076 [0,0,1,1,0,0|1,0,0]=3 354 B9R1.6 O=C(O)[C@@H]1CCCCO1 SY100445 [0,0,1,1,0,0|2,0,0]=4 355 B9R1.6 O=C(O)[C@@H]1CCCNC1 SY102436 [0,0,1,1,0,0|2,0,0]=4 356 B9R1.6 O=C(O)[C@@H]1CNCCN1 SY004769 [0,0,1,1,0,0|1,0,0]=3 357 B9R1.6 O=C(O)[C@@H]1CNCCO1 SY115265 [0,0,1,1,0,0|2,0,0]=4 358 B9R1.6 O=C(O)[C@@H]1COCCN1 SY003807 [0,0,1,1,0,0|0,0,0]=2 359 B9R1.6 O=C(O)[C@@H]1COCCN1 SY030470 [0,0,1,1,0,0|0,0,0]=2 360 B9R1.6 O=C(O)[C@H]1CCCCN1 SY003075 [0,0,1,1,0,0|1,0,0]=3 361 B9R1.6 O=C(O)[C@H]1CCCNC1 SY018213 [0,0,1,1,0,0|2,0,0]=4 362 B9R1.6 O=C(O)[C@H]1CCCNC1 SY057637 [0,0,1,1,0,0|2,0,0]=4 363 B9R1.6 O=C(O)[C@H]1CNCCN1 SY004767 [0,0,1,1,0,0|1,0,0]=3 364 B9R1.6 O=C(O)[C@H]1COCCN1 SY005109 [0,0,1,1,0,0|0,0,0]=2 365 B9R1.6 O=C([O-])C1CCCCN1 SY267299 [0,0,1,1,0,0|1,0,1]=4 366 B9R1.110 C[C@@H](C(=O)O)C1CCC1 SY299884 [0,0,1,1,0,0|2,0,0]=4 367 B9R1.110 C[C@H](C(=O)O)C1CCC1 SY299883 [0,0,1,1,0,0|2,0,0]=4 368 B9R1.112 CC(SC1CC1)C(=O)O SY254090 [0,0,1,1,0,0|2,0,0]=4 369 B9R1.84 O=C(O)CCC1CCC1 SY132058 [0,0,1,1,0,0|2,0,0]=4 370 B9R2.39 O=C1CC2CCC1C2 SY049592 [1,0,0,1,0,0|2,0,0]=4 371 B9R2.39 O=C1CC2CNC1C2 SY262130 [1,0,0,1,0,0|1,0,0]=3 372 B9R2.39 O=C1NC2COC1C2 SY296805 [1,0,0,1,0,0|2,0,0]=4 373 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 SY012376 [1,0,0,1,0,0|2,0,0]=4 374 B9R2.145 O=C(O)C12CC(C1)C2 SY042507 [0,0,0,1,1,0|1,0,0]=3 375 B11R2.564 NC1C2CC(C(=O)O)CC12 SY296089 [0,0,0,1,0,1|2,0,0]=4 376 B11R2.564 NC1C2CC(C(=O)O)CC12 SY296090 [0,0,0,1,0,1|2,0,0]=4 377 B11R2.162 O=C1CC2CC1CC2CO SY280098 [0,1,0,1,0,0|2,0,0]=4 378 B7R0.16 CC(C)C(N)C(N)=O SY047906 [0,0,1,0,1,0|2,0,0]=4 379 B7R0.16 CC(C)[C@@H](Br)C(=O)O SY033749 [0,0,1,0,1,0|2,0,0]=4 380 B7R0.16 CC(C)[C@@H](N)C(=O)O SY002593 [0,0,1,0,1,0|1,0,0]=3 381 B7R0.16 CC(C)[C@@H](N)C(N)=O SY024218 [0,0,1,0,1,0|2,0,0]=4 382 B7R0.16 CC(C)[C@@H](O)C(=O)O SY041974 [0,0,1,0,1,0|2,0,0]=4 383 B7R0.16 CC(C)[C@H](N)C(=O)O SY002589 [0,0,1,0,1,0|1,0,0]=3 384 B7R0.16 CC(C)[C@H](N)C(N)=O SY024217 [0,0,1,0,1,0|2,0,0]=4 385 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SY026984 [0,0,1,0,1,0|0,0,0]=2 386 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SY020053 [0,0,1,0,1,0|0,0,0]=2 387 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SY034086 [0,0,1,0,1,0|1,0,0]=3 388 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SY018620 [0,0,1,0,1,0|0,0,0]=2 389 B7R0.16 C[C@H](O)[C@H](N)C(=O)O SY024226 [0,0,1,0,1,0|0,0,0]=2 390 B7R1.10 CC1CC(CO)C1 SY217481 [1,0,0,0,1,0|1,0,1]=4 391 B7R1.10 N#CC1CC(O)C1 SY033823 [1,0,0,0,1,0|1,0,1]=4 392 B7R1.10 NC1CC(CO)C1 SY098739 [1,0,0,0,1,0|1,0,1]=4 393 B7R1.10 NCC1CC(O)C1 SY098741 [1,0,0,0,1,0|1,0,1]=4 394 B7R1.10 NC[C@H]1C[C@@H](O)C1 SY098823 [1,0,0,0,1,0|1,0,1]=4 395 B7R1.10 N[C@H]1C[C@H](CO)C1 SY038401 [1,0,0,0,1,0|1,0,1]=4 396 B7R1.18 N=C(N)C1CCC1 SY016171 [1,0,0,0,1,0|2,0,0]=4 397 B7R1.18 NC(=O)C1CCC1 SY026669 [1,0,0,0,1,0|1,0,0]=3 398 B7R1.18 NC(=S)C1CCC1 SY139742 [1,0,0,0,1,0|1,1,0]=4 399 B7R1.18 O=C(Cl)N1CCC1 SY268945 [1,0,0,0,1,0|2,0,0]=4 400 B7R1.18 O=C(O)C1CCN1 SY013679 [1,0,0,0,1,0|0,0,0]=2 401 B7R1.18 O=C(O)C1CCO1 SY033341 [1,0,0,0,1,0|1,0,0]=3 402 B7R1.18 O=C(O)C1CNC1 SY002050 [1,0,0,0,1,0|1,0,0]=3 403 B7R1.18 O=C(O)C1COC1 SY008837 [1,0,0,0,1,0|1,0,0]=3 404 B7R1.18 O=C(O)[C@@H]1CCN1 SY004809 [1,0,0,0,1,0|0,0,0]=2 405 B7R1.18 O=C(O)[C@@H]1CCO1 SY269134 [1,0,0,0,1,0|1,0,0]=3 406 B7R1.18 O=C(O)[C@H]1CCN1 SY077312 [1,0,0,0,1,0|0,0,0]=2 407 B7R1.18 O=[N+]([O-])C1CCC1 SY013426 [1,0,0,0,1,0|1,0,1]=4 408 B7R1.12 O=C(O)C1CC1F SY073271 [0,0,0,0,2,0|1,0,0]=3 409 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY069957 [0,0,0,0,2,0|1,0,0]=3 410 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY071317 [0,0,0,0,2,0|1,0,0]=3 411 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I SY263918 [0,0,0,0,2,0|1,0,0]=3 412 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SY071548 [0,0,0,0,2,0|1,0,0]=3 413 B7R1.12 O=C(O)[C@H]1C[C@H]1F SY071316 [0,0,0,0,2,0|1,0,0]=3 414 B7R1.12 O=C(O)[C@H]1C[C@H]1I SY245634 [0,0,0,0,2,0|1,0,0]=3 415 B9R0.4 CCCC[C@H](C)CC(=O)O SY253397 [0,0,1,0,0,1|2,0,0]=4 416 B9R1.13 O=C(O)CC1CCNC1 SY096981 [1,0,0,0,0,1|2,0,0]=4 417 B9R1.13 O=C(O)CC1CCOC1 SY039684 [1,0,0,0,0,1|2,0,0]=4 418 B9R1.13 O=C(O)CN1CCCC1 SY025097 [1,0,0,0,0,1|2,0,0]=4 419 B9R1.13 O=C(O)C[C@@H]1CCCN1 SY107247 [1,0,0,0,0,1|0,0,0]=2 420 B9R1.13 O=C(O)C[C@H]1CCCN1 SY056877 [1,0,0,0,0,1|0,0,0]=2 421 B9R1.13 O=C(O)C[C@H]1CCCN1 SY245644 [1,0,0,0,0,1|0,0,0]=2 422 B11R1.20 CC(=O)NC1CCC(O)CC1 SY019656 [0,0,0,0,0,2|2,0,0]=4 423 B11R1.20 CC1CCC(CC(=O)O)CC1 SY113540 [0,0,0,0,0,2|2,0,0]=4 424 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 SY273228 [0,0,0,0,0,2|2,0,0]=4