0 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.8 CSCCC(N)C(N)=O SC-15811 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [0,0,0,0,0,0|0,1,0]=1 6 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.3 CCCCC(O)CO SC-74356 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 CSCCC(O)C#N SC-A3341 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 C#CCCCC(=O)O SC-73017 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 C#CCNCC(=O)O SC-10418 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 C#CCNCC(=O)O SC-10419 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 C#CCNCC(=O)O SC-65650 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 C=CCNCC(=O)O SC-74362 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 C=CCOCC(=O)O SC-49027 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 CCCC#CC(=O)O SC-96568 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.4 CCCNCC(=O)O SC-97541 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.4 CCCSCC(=O)O SC-45283 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 CNCCCC(=O)O SC-49793 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.4 CNCCCC(=O)O SC-A2900 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.4 COCCCC(=O)O SC-51378 [1,0,0,0,0,0|0,1,0]=2 23 B7R0.4 COCCNC(N)=O SC-62189 [1,0,0,0,0,0|2,1,0]=4 24 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.4 NC(=O)CCCCBr SC-98143 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.4 NCCCCC(=O)O SC-10120 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.4 NCCCCC(=O)O SC-92391 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.4 NCCCCC(N)=O SC-94858 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.4 NCCCCC(N)=O SC-A4262 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.4 NCCNCC(=O)O SC-21750 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,0,0,0,0,0|3,0,0]=4 32 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.4 O=C(O)CCCCBr SC-02338 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [1,0,0,0,0,0|0,0,2]=3 35 B7R0.5 C=CCC(N)C(=O)O SC-10030 [1,0,0,0,0,0|0,0,2]=3 36 B7R0.5 C=CCC(N)C(=O)O SC-10031 [1,0,0,0,0,0|0,0,2]=3 37 B7R0.5 C=CCC(N)C(=O)O SC-10032 [1,0,0,0,0,0|0,0,2]=3 38 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [1,0,0,0,0,0|0,0,2]=3 39 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [1,0,0,0,0,0|0,0,2]=3 40 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,0,0,0,0,0|0,0,0]=1 42 B7R0.5 CCOC(=O)C(=O)O SC-26569 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,0,0,0,0,0|0,1,0]=2 44 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,0,0,0,0,0|0,1,0]=2 45 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,0,0,0,0,0|0,1,0]=2 46 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,0,0,0,0,0|0,1,0]=2 47 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,0,0,0,0,0|0,1,0]=2 53 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [1,0,0,0,0,0|0,1,0]=2 54 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,1,0,0,0,0|1,0,1]=3 55 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,1,0,0,0,0|1,0,0]=2 56 B9R0.7 NC(=O)CCC(N)C(=O)O SC-09535 [0,1,0,0,0,0|2,0,0]=3 57 B9R0.7 NC(=O)SCC(N)C(=O)O SC-25048 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O SC-94352 [0,1,0,0,0,0|3,0,0]=4 59 B9R0.7 NC(CCC(=O)O)C(=O)O SC-05406 [0,1,0,0,0,0|2,0,0]=3 60 B9R0.7 NC(CCC(=O)O)C(=O)O SC-27100 [0,1,0,0,0,0|2,0,0]=3 61 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [0,1,0,0,0,0|2,0,0]=3 62 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SC-05605 [0,1,0,0,0,0|2,0,0]=3 63 B9R0.8 COC(=O)C(Br)CCCBr SC-A2626 [0,1,0,0,0,0|3,0,0]=4 64 B9R0.8 COC(=O)C(N)CCSC SC-17534 [0,1,0,0,0,0|0,0,0]=1 65 B9R0.13 CCCCC(CC)C(=O)[O-] SC-15914 [0,1,0,0,0,0|2,0,1]=4 66 B9R0.13 CCCCC(CC)C(=O)[O-] SC-21305 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.42 COC(=O)CC(C)C(=O)O SC-49578 [0,1,0,0,0,0|1,1,1]=4 68 B9R0.42 COC(=O)CC(N)C(=O)O SC-34732 [0,1,0,0,0,0|0,1,1]=3 69 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-09414 [0,1,0,0,0,0|0,1,1]=3 70 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-49628 [0,1,0,0,0,0|0,1,1]=3 71 B9R0.47 C=CCSCC(N)C(=O)O SC-10024 [0,1,0,0,0,0|1,0,1]=3 72 B9R0.47 CCCCCC(N)C(=O)O SC-10084 [0,1,0,0,0,0|1,0,0]=2 73 B9R0.47 CCCCCC(N)C(=O)O SC-10085 [0,1,0,0,0,0|1,0,0]=2 74 B9R0.47 CCCCC[C@@H](N)C(=O)O SC-10086 [0,1,0,0,0,0|1,0,0]=2 75 B9R0.47 CCSCCC(N)C(=O)O SC-10254 [0,1,0,0,0,0|0,0,0]=1 76 B9R0.47 NCCCCC(N)C(=O)O SC-06113 [0,1,0,0,0,0|1,0,0]=2 77 B9R0.47 NCCCCC(N)C(=O)O SC-09672 [0,1,0,0,0,0|1,0,0]=2 78 B9R0.47 NCCCCC(N)C(=O)O SC-19760 [0,1,0,0,0,0|1,0,0]=2 79 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09670 [0,1,0,0,0,0|1,0,0]=2 80 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09674 [0,1,0,0,0,0|1,0,0]=2 81 B9R0.47 [C@@H](N)(CCCCN)C(=O)O SC-07335 [0,1,0,0,0,0|1,0,0]=2 82 B9R0.51 C=CCCC(C)(C)C(=O)O SC-34922 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.6 CC(=O)C1CCNCC1 SC-48315 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.6 CC(=O)C1CCOCC1 SC-66039 [0,0,0,1,0,0|2,1,0]=4 85 B9R1.6 NC(=O)C1CCNCC1 SC-04160 [0,0,0,1,0,0|3,0,0]=4 86 B9R1.6 O=C(Cl)C1CCCCC1 SC-22783 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.6 O=C(Cl)C1CCOCC1 SC-49140 [0,0,0,1,0,0|2,1,0]=4 88 B9R1.6 O=C(O)C1CC=CCC1 SC-19459 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.6 O=C(O)C1CCCCC1 SC-22688 [0,0,0,1,0,0|2,0,0]=3 90 B9R1.6 O=C(O)C1CCCCN1 SC-03317 [0,0,0,1,0,0|1,0,0]=2 91 B9R1.6 O=C(O)C1CCCCN1 SC-04307 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.6 O=C(O)C1CCCCN1 SC-05144 [0,0,0,1,0,0|1,0,0]=2 93 B9R1.6 O=C(O)C1CCCCO1 SC-27357 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.6 O=C(O)C1CCCOC1 SC-49188 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.6 O=C(O)C1CCNCC1 SC-04843 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.6 O=C(O)C1CCOCC1 SC-05124 [0,0,0,1,0,0|1,1,0]=3 97 B9R1.6 O=C(O)C1CNCCN1 SC-21327 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.6 O=C(O)C1CNCCO1 SC-27398 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.6 O=C(O)C1CNCCS1 SC-A2935 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.6 O=C(O)C1COCCN1 SC-22999 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.6 O=C(O)C1COCCN1 SC-25354 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.6 O=C(O)C1COCCN1 SC-27629 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.6 O=C(O)C1CSCCN1 SC-47973 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.6 O=C(O)N1CCSCC1 SC-33160 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.6 O=C(O)[C@@H]1CC=CCC1 SC-92067 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.6 O=C(O)[C@@H]1CNCCN1 SC-08890 [0,0,0,1,0,0|2,0,0]=3 107 B9R1.6 O=C(O)[C@@H]1CNCCN1 SC-12480 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.6 O=C(O)[C@@H]1CSCCN1 SC-82353 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.6 O=C(O)[C@H]1CC=CCC1 SC-65686 [0,0,0,1,0,0|2,0,1]=4 110 B9R1.6 O=C(O)[C@H]1CCCCN1 SC-01680 [0,0,0,1,0,0|1,0,0]=2 111 B9R1.6 O=C(O)[C@H]1CNCCN1 SC-00676 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.6 O=C(O)[C@H]1CNCCN1 SC-12519 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.6 O=C(O)[C@H]1CSCCN1 SC-33694 [0,0,0,1,0,0|2,0,0]=3 114 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 SC-02884 [0,0,0,1,0,0|3,0,0]=4 115 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,1,0,0|3,0,0]=4 120 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,0,0,1,0,0|3,0,0]=4 121 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,0,0,1,0,0|3,0,0]=4 130 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,0,0,1,0,0|3,0,0]=4 132 B9R1.69 NC1CCC(=O)NC1=O SC-52533 [0,0,0,1,0,0|3,0,0]=4 133 B9R1.69 NC1CCC(=O)NC1=O SC-72018 [0,0,0,1,0,0|3,0,0]=4 134 B9R1.69 NC1CCC(=O)NC1=O SC-85613 [0,0,0,1,0,0|3,0,0]=4 135 B9R1.69 N[C@@H]1CCC(=O)NC1=O SC-A2238 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.69 N[C@H]1CCC(=O)NC1=O SC-A2241 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,0,0,1,0,0|1,1,0]=3 138 B9R1.110 NC(C(=O)O)C1CCC1 SC-94779 [0,0,0,1,0,0|1,0,0]=2 139 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11116 [0,0,0,1,0,0|3,0,0]=4 140 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,0,0,1,0,0|1,0,0]=2 141 B9R1.163 CC1(C(=O)O)CCCC1 SC-26150 [0,0,0,1,0,0|2,0,0]=3 142 B9R1.163 C[C@]1(C(=O)O)CCCN1 SC-87593 [0,0,0,1,0,0|3,0,0]=4 143 B9R1.163 C[C@]1(C(=O)O)CCNC1 SC-A3614 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.163 NC1(C(=O)O)CC=CC1 SC-31553 [0,0,0,1,0,0|1,0,1]=3 145 B9R1.163 NC1(C(=O)O)CCCC1 SC-11054 [0,0,0,1,0,0|1,0,0]=2 146 B9R1.163 NC1(C(=O)O)CCOC1 SC-35949 [0,0,0,1,0,0|0,1,0]=2 147 B9R1.163 O=C(O)C1(O)CCCC1 SC-A3517 [0,0,0,1,0,0|2,0,0]=3 148 B6R0.4 C=CCCC(=O)O SC-25836 [2,0,0,0,0,0|0,0,2]=4 149 B6R0.4 CC(=O)CCCBr SC-91341 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.4 CCCCC(=O)Cl SC-46867 [2,0,0,0,0,0|1,0,0]=3 151 B6R0.4 CC\C=C\C(=O)O SC-92876 [2,0,0,0,0,0|0,0,2]=4 152 B6R0.4 CNCCC(=O)O SC-27492 [2,0,0,0,0,0|1,0,0]=3 153 B6R0.4 CNCCC(=O)O SC-52914 [2,0,0,0,0,0|1,0,0]=3 154 B6R0.4 COCCC(=O)O SC-50255 [2,0,0,0,0,0|0,1,0]=3 155 B6R0.4 CSCCC(=O)O SC-96567 [2,0,0,0,0,0|0,0,0]=2 156 B6R0.4 NCCCC(=O)O SC-10045 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.4 O=C(Cl)CCCBr SC-70369 [2,0,0,0,0,0|2,0,0]=4 158 B6R0.4 O=C(O)CCCCl SC-89723 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.6 CNCCCCO SC-13108 [2,0,0,0,0,0|1,0,1]=4 160 B6R0.6 O=CCCCCCl SC-A3300 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [2,0,0,0,0,0|0,0,2]=4 162 B6R0.3 CC(CBr)C(=O)O SC-53016 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.3 CC(CN)C(=O)O SC-10095 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.3 CC(CN)C(=O)O SC-16443 [2,0,0,0,0,0|2,0,0]=4 165 B6R0.3 CCC(F)C(=O)O SC-82839 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.3 CCC(N)C(=O)O SC-25570 [2,0,0,0,0,0|0,0,0]=2 167 B6R0.3 CCC(N)C(N)=O SC-67619 [2,0,0,0,0,0|1,0,0]=3 168 B6R0.3 CCC(S)C(=O)O SC-90417 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [2,0,0,0,0,0|0,0,0]=2 171 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [2,0,0,0,0,0|1,0,0]=3 172 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [2,0,0,0,0,0|0,0,0]=2 173 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [2,0,0,0,0,0|1,0,0]=3 174 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [2,0,0,0,0,0|2,0,0]=4 175 B6R0.3 COC(C)C(=O)O SC-49776 [2,0,0,0,0,0|1,1,0]=4 176 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [2,0,0,0,0,0|1,1,0]=4 177 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [2,0,0,0,0,0|1,1,0]=4 178 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [2,0,0,0,0,0|1,1,0]=4 182 B6R0.3 NC(CO)C(=O)O SC-09828 [2,0,0,0,0,0|0,1,0]=3 183 B6R0.3 NC(CS)C(=O)O SC-16429 [2,0,0,0,0,0|0,0,0]=2 184 B6R0.3 NCC(N)C(=O)O SC-12518 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.3 NCC(N)C(=O)O SC-26817 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.3 NCC(O)C(=O)O SC-10335 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [2,0,0,0,0,0|0,1,0]=3 189 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [2,0,0,0,0,0|0,0,0]=2 190 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [2,0,0,0,0,0|0,1,0]=3 191 B6R0.3 O=C(O)C(Br)CBr SC-26969 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.3 O=C(O)C(O)CCl SC-83865 [2,0,0,0,0,0|2,0,0]=4 193 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [2,0,0,0,0,0|0,0,0]=2 195 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [2,0,0,0,0,0|0,0,0]=2 196 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [2,0,0,0,0,0|0,0,0]=2 197 B8R0.7 C#CCCCCC(=O)O SC-20440 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.7 C#CCOCCC(=O)O SC-A2263 [1,1,0,0,0,0|1,0,1]=4 199 B8R0.7 CCCCOCC(=O)O SC-22619 [1,1,0,0,0,0|1,0,0]=3 200 B8R0.7 COCCOCC(=O)O SC-89730 [1,1,0,0,0,0|0,1,0]=3 201 B8R0.7 NCCCCCC(=O)O SC-10067 [1,1,0,0,0,0|1,0,0]=3 202 B8R0.7 O=C(O)CCCCCBr SC-04420 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.7 O=C(O)CCCCCO SC-17400 [1,1,0,0,0,0|1,0,0]=3 204 B8R0.7 O=C(O)CCOCCBr SC-A2260 [1,1,0,0,0,0|2,0,0]=4 205 B8R0.7 O=C([O-])CCCCCO SC-82416 [1,1,0,0,0,0|1,0,1]=4 206 B8R0.21 CCCCCS(=O)(=O)O SC-90285 [1,1,0,0,0,0|2,0,0]=4 207 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [1,1,0,0,0,0|0,0,0]=2 208 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [1,1,0,0,0,0|1,0,0]=3 209 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC SC-22105 [1,1,0,0,0,0|0,1,0]=3 210 B8R0.15 CCCC(CC)C(=O)O SC-82317 [1,1,0,0,0,0|1,0,0]=3 211 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [1,1,0,0,0,0|0,0,2]=4 212 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [1,1,0,0,0,0|1,0,0]=3 213 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [1,1,0,0,0,0|0,0,0]=2 214 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [1,1,0,0,0,0|0,0,0]=2 215 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [1,1,0,0,0,0|0,0,0]=2 216 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [1,1,0,0,0,0|1,0,0]=3 217 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [1,1,0,0,0,0|1,0,0]=3 218 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [1,1,0,0,0,0|0,1,1]=4 219 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [1,1,0,0,0,0|0,1,1]=4 220 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [1,1,0,0,0,0|0,1,1]=4 221 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [1,1,0,0,0,0|0,1,1]=4 222 B10R0.6 CCCCCC(N)CC(=O)O SC-12428 [0,1,0,0,0,1|1,0,0]=3 223 B10R0.82 COC(=O)CC[C@H](N)C(=O)O SC-09522 [0,2,0,0,0,0|0,1,0]=3 224 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O SC-87620 [0,2,0,0,0,0|2,0,0]=4 225 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O SC-24592 [0,2,0,0,0,0|2,0,0]=4 226 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O SC-09467 [0,2,0,0,0,0|2,0,0]=4 227 B10R0.92 CP(=O)(O)CCC(N)C(=O)O SC-46809 [0,2,0,0,0,0|1,0,0]=3 228 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC SC-24288 [0,2,0,0,0,0|0,1,1]=4 229 B10R0.83 CCCCCC(N)C(=O)NC SC-97612 [0,2,0,0,0,0|2,0,0]=4 230 B10R0.17 CCCCC(C(=O)O)C(=O)O SC-46679 [0,2,0,0,0,0|2,0,0]=4 231 B10R0.26 N#CCS(=O)CC(N)C(=O)O SC-21410 [0,2,0,0,0,0|2,0,0]=4 232 B10R0.75 CCCCCCC(N)C(=O)O SC-10073 [0,2,0,0,0,0|1,0,0]=3 233 B10R0.75 N[C@@H](CSCCCO)C(=O)O SC-47121 [0,2,0,0,0,0|1,0,0]=3 234 B10R0.98 NC(CCCC(=O)O)C(=O)O SC-20484 [0,2,0,0,0,0|1,0,1]=4 235 B10R0.98 NC(CSCC(=O)O)C(=O)O SC-19245 [0,2,0,0,0,0|2,0,0]=4 236 B8R1.1 C[C@H]1CC[C@@H](CO)N1 SC-91672 [1,0,0,1,0,0|1,0,1]=4 237 B8R1.2 O=CC1CCCCC1 SC-02305 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.2 O=CC1CCCCN1 SC-29120 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.2 O=CC1CCNCC1 SC-21173 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.2 O=CC1CCNCC1 SC-A3016 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.2 O=CC1CCOCC1 SC-04900 [1,0,0,1,0,0|1,1,0]=4 242 B8R1.2 O=CC1CCSCC1 SC-96130 [1,0,0,1,0,0|1,0,0]=3 243 B8R1.2 OC[C@H]1CCCCN1 SC-83108 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.5 CC1CCCCC1=O SC-20428 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.5 NC1CCCCC1=O SC-22252 [1,0,0,1,0,0|1,0,0]=3 246 B8R1.5 NC1CCCCC1=O SC-84826 [1,0,0,1,0,0|1,0,0]=3 247 B8R1.5 NC1CCCCC1O SC-45073 [1,0,0,1,0,0|1,0,1]=4 248 B8R1.5 NC1CCCC[C@@H]1O SC-44498 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.5 NC1CCCNC1=O SC-14514 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.5 NC1CCNCC1O SC-97873 [1,0,0,1,0,0|1,0,1]=4 251 B8R1.5 N[C@@H]1CCCC[C@H]1O SC-15016 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.5 N[C@@H]1CCCC[C@H]1O SC-26535 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.5 N[C@@H]1CCCNC1=O SC-48796 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.5 N[C@H]1CCCC[C@@H]1O SC-26530 [1,0,0,1,0,0|1,0,1]=4 255 B8R1.5 N[C@H]1CCCC[C@H]1O SC-26560 [1,0,0,1,0,0|1,0,1]=4 256 B8R1.5 N[C@H]1CCCC[C@H]1O SC-35500 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.5 N[C@H]1CCCC[C@H]1O SC-70916 [1,0,0,1,0,0|1,0,1]=4 258 B8R1.5 N[C@H]1CCCC[C@H]1O SC-99850 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.5 N[C@H]1CCCNC1=O SC-27263 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.5 O=C1CCCCC1Br SC-86496 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.5 O=C1CCCCC1Cl SC-20977 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.5 O=C1CCCCC1O SC-49144 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.50 CN1CCC(N)C1=O SC-25143 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.52 NC1(CO)CCCC1 SC-89144 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.4 CC1CCCC(=O)N1 SC-90092 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.4 CN1CCCC(=O)C1 SC-88063 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.4 O=C1CCCC(=O)O1 SC-43876 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.7 CC(=O)C1CCCC1 SC-69830 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.7 NC(=O)C1CCNC1 SC-A3191 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.7 O=C(O)C1CC=CC1 SC-25940 [1,0,0,1,0,0|1,0,1]=4 272 B8R1.7 O=C(O)C1CCCC1 SC-18675 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.7 O=C(O)C1CCCN1 SC-09807 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.7 O=C(O)C1CCOC1 SC-21248 [1,0,0,1,0,0|0,1,0]=3 276 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [1,0,0,1,0,0|1,0,0]=3 278 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [1,0,0,1,0,0|0,1,0]=3 279 B8R1.7 O=C(O)[C@@H]1CSCN1 SC-77532 [1,0,0,1,0,0|1,0,0]=3 280 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [1,0,0,1,0,0|1,0,0]=3 283 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [1,0,0,1,0,0|1,0,0]=3 284 B8R1.34 O=C(O)CC1CCC1 SC-26391 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.34 O=C(O)CC1COC1 SC-70807 [1,0,0,1,0,0|0,1,0]=3 286 B8R1.34 O=C(O)CN1CCC1 SC-A4384 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.35 O=C(O)CCC1CC1 SC-31428 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [1,0,0,1,0,0|1,0,0]=3 289 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.54 NC(C(=O)O)C1CC1 SC-45627 [1,0,0,1,0,0|0,0,0]=2 292 B8R1.54 N[C@H](C(=O)O)C1CC1 SC-20216 [1,0,0,1,0,0|0,0,0]=2 293 B8R1.54 O=C(O)C(=O)C1CC1 SC-49223 [1,0,0,1,0,0|1,0,1]=4 294 B8R1.78 CC1(C(=O)O)CCC1 SC-25545 [1,0,0,1,0,0|1,0,0]=3 295 B8R1.78 CC1(C(=O)O)COC1 SC-26457 [1,0,0,1,0,0|1,1,0]=4 296 B8R1.78 NC1(C(=O)O)CCC1 SC-21579 [1,0,0,1,0,0|0,0,0]=2 297 B8R1.78 NC1(C(=O)O)CCC1 SC-25077 [1,0,0,1,0,0|0,0,0]=2 298 B8R1.78 NC1(C(=O)O)CCC1 SC-53797 [1,0,0,1,0,0|0,0,0]=2 299 B8R1.78 O=C(O)C1(Br)CCC1 SC-65747 [1,0,0,1,0,0|1,0,0]=3 300 B10R1.18 O=C(O)CC1CCNCC1 SC-25919 [0,0,0,1,0,1|2,0,0]=4 301 B10R1.18 O=C(O)CC1CCNCC1 SC-95171 [0,0,0,1,0,1|2,0,0]=4 302 B10R1.18 O=C(O)CC1CCOCC1 SC-06974 [0,0,0,1,0,1|1,1,0]=4 303 B10R1.61 CC1CCCCC1C(=O)O SC-13884 [0,0,0,1,0,1|2,0,0]=4 304 B10R1.61 NC1CCCCC1C(=O)O SC-96032 [0,0,0,1,0,1|1,0,0]=3 305 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O SC-93716 [0,0,0,1,0,1|1,0,0]=3 306 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O SC-67617 [0,0,0,1,0,1|1,0,0]=3 307 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O SC-A3216 [0,0,0,1,0,1|1,0,0]=3 308 B10R1.23 NC(C(=O)O)C1CCCC1 SC-19466 [0,1,0,1,0,0|1,0,0]=3 309 B10R1.13 CN1CCC(C(=O)O)CC1 SC-77778 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.13 NC1CCC(C(=O)O)CC1 SC-46143 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-43852 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-47469 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.13 O=C(O)C1CCC(O)CC1 SC-47408 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.13 O=C(O)C1CCC(O)CC1 SC-84382 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.13 O=C1CCC(C(=O)O)CN1 SC-91365 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 SC-24234 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.15 COC(=O)C1CCCCO1 SC-21895 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.15 COC(=O)C1CCNCC1 SC-03230 [0,1,0,1,0,0|2,0,0]=4 319 B10R1.15 COC(=O)C1CCOCC1 SC-00335 [0,1,0,1,0,0|1,1,0]=4 320 B10R1.15 COC(=O)C1COCCN1 SC-25827 [0,1,0,1,0,0|2,0,0]=4 321 B10R1.15 COC(=O)[C@@H]1CCCCN1 SC-14576 [0,1,0,1,0,0|1,0,0]=3 322 B10R1.411 COC(=O)C1(N)CCCC1 SC-23546 [0,1,0,1,0,0|1,0,0]=3 323 B10R1.411 COC(=O)C1(N)CCCC1 SC-24078 [0,1,0,1,0,0|1,0,0]=3 324 B10R1.194 CN1CCC(C(=O)O)C1=O SC-68665 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.348 O=C(O)C1CCCCCC1 SC-13836 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.348 O=C(O)C1CCCCCN1 SC-13854 [0,1,0,1,0,0|1,0,0]=3 327 B10R1.113 CN1CCCC(C(=O)O)C1 SC-53949 [0,1,0,1,0,0|2,0,0]=4 328 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)[O-])C1 SC-15310 [0,1,0,1,0,0|1,0,1]=4 329 B10R1.113 NC1CCCC(C(=O)O)C1 SC-15059 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48763 [0,1,0,1,0,0|2,0,0]=4 331 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48783 [0,1,0,1,0,0|2,0,0]=4 332 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 SC-68749 [0,1,0,1,0,0|2,0,0]=4 333 B10R1.113 O=C1CCCC(C(=O)O)N1 SC-49024 [0,1,0,1,0,0|1,0,1]=4 334 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 SC-22183 [0,1,0,1,0,0|1,0,1]=4 335 B10R1.113 O=C1CSCC(C(=O)O)N1 SC-84528 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.204 N[C@@H](CC1CCC1)C(=O)O SC-98743 [0,1,0,1,0,0|1,0,0]=3 337 B10R1.204 N[C@H](CC1CCC1)C(=O)O SC-98842 [0,1,0,1,0,0|1,0,0]=3 338 B10R1.363 CC1(C(=O)O)CCCNC1 SC-49450 [0,1,0,1,0,0|2,0,0]=4 339 B10R1.363 CC1(C(=O)O)CCOCC1 SC-83388 [0,1,0,1,0,0|1,1,0]=4 340 B10R1.363 NC1(C(=O)O)CCCOC1 SC-14945 [0,1,0,1,0,0|0,1,0]=3 341 B10R1.363 NC1(C(=O)O)CCOCC1 SC-17191 [0,1,0,1,0,0|0,1,0]=3 342 B10R1.363 O=C(O)C1(F)CCOCC1 SC-87740 [0,1,0,1,0,0|1,1,0]=4 343 B10R1.363 O=C(O)C1(O)CCCCC1 SC-44396 [0,1,0,1,0,0|2,0,0]=4 344 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 SC-94863 [0,0,0,2,0,0|1,0,0]=3 345 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-86927 [0,0,0,2,0,0|2,0,0]=4 346 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-A2404 [0,0,0,2,0,0|2,0,0]=4