0 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 C=CCC(N)C(=O)O SC-10030 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.5 C=CCC(N)C(=O)O SC-10031 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.5 C=CCC(N)C(=O)O SC-10032 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.5 CCOC(=O)C(=O)Cl SC-26882 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.5 CCOC(=O)C(=O)O SC-26569 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.5 CCOC(=O)C(=O)[O-] SC-73549 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.5 CCOC(=O)C(C)=O SC-15232 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.1 OCCC(O)CO SC-15322 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 OCC[C@H](O)CO SC-08973 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.3 C=CC(C)C(=O)O SC-65769 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.3 CC(C#N)C(=O)O SC-65741 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.3 CC(CBr)C(=O)O SC-53016 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.3 CC(CN)C(=O)O SC-10095 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.3 CC(CN)C(=O)O SC-16443 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.3 CCC(F)C(=O)O SC-82839 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.3 CCC(N)C(=O)O SC-25570 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.3 CCC(N)C(N)=O SC-67619 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.3 CCC(S)C(=O)O SC-90417 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.3 CCN(O)C(C)=O SC-69302 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [1,0,0,0,0,0|0,0,0]=1 37 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.3 COC(C)C(=O)O SC-49776 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.3 CON(C)C(C)=O SC-20924 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.3 NC(CO)C(=O)O SC-09828 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.3 NC(CS)C(=O)O SC-16429 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.3 NCC(N)C(=O)O SC-12518 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.3 NCC(N)C(=O)O SC-26817 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.3 NCC(O)C(=O)O SC-10335 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.3 O=C(O)C(=O)CBr SC-15238 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.3 O=C(O)C(Br)CBr SC-26969 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.3 O=C(O)C(O)CCl SC-83865 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.4 C=C(C)CNCC SC-47240 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.4 C=CCCC(=O)O SC-25836 [1,0,0,0,0,0|0,0,2]=3 69 B6R0.4 C=CNCC(=O)O SC-20808 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.4 CC(=O)CCCBr SC-91341 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CC(=O)NCCN SC-19651 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.4 CCCCC(=O)Cl SC-46867 [1,0,0,0,0,0|1,0,0]=2 73 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,0,0,0,0,0|0,0,2]=3 74 B6R0.4 CNCCC(=O)O SC-27492 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.4 CNCCC(=O)O SC-52914 [1,0,0,0,0,0|1,0,0]=2 76 B6R0.4 COCCC(=O)O SC-50255 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.4 CSCCC(=O)O SC-96567 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.4 NCCCC(=O)O SC-10045 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.4 O=C(O)C#CCO SC-89192 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.4 O=C(O)CCCCl SC-89723 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.4 O=C(O)\C=C\CBr SC-53654 [1,0,0,0,0,0|1,0,2]=4 83 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO SC-15195 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC SC-22105 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.3 C=CCC(N)C(=O)OC SC-A2429 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.3 CCCC(N)C(=O)OC SC-10383 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.3 COC(=O)C(Br)CCBr SC-22210 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [0,1,0,0,0,0|1,0,2]=4 91 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.8 CSCCC(N)C(N)=O SC-15811 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [0,1,0,0,0,0|1,0,0]=2 96 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,1,0,0,0,0|1,0,0]=2 97 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,1,0,0,0,0|1,0,0]=2 98 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [0,1,0,0,0,0|1,0,0]=2 99 B8R0.12 C=CCC(C)(C)C(=O)O SC-51697 [0,1,0,0,0,0|0,0,2]=3 100 B8R0.12 C=CCC(F)(F)C(=O)O SC-30871 [0,1,0,0,0,0|1,0,2]=4 101 B8R0.15 CCCC(CC)C(=O)O SC-82317 [0,1,0,0,0,0|0,0,0]=1 102 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [0,1,0,0,0,0|1,0,2]=4 103 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,1,0,0,0,0|1,0,0]=2 106 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,1,0,0,0,0|1,0,0]=2 107 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,1,0,0,0,0|1,0,0]=2 108 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,1,0,0,0,0|1,0,1]=3 112 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,1,0,0,0,0|1,0,1]=3 113 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,1,0,0,0,0|1,0,1]=3 114 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.5 CC1CCCCC1=O SC-20428 [0,0,0,1,0,0|1,0,0]=2 120 B8R1.5 CC1CCCNC1C SC-57854 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.5 C[C@H]1NCCNC1=O SC-05130 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.5 NC1CCCCC1=O SC-22252 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.5 NC1CCCCC1=O SC-84826 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.5 NC1CCCCC1O SC-45073 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.5 NC1CCCC[C@@H]1O SC-44498 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.5 NC1CCCNC1=O SC-14514 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.5 N[C@@H]1CCCC[C@H]1O SC-15016 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.5 N[C@@H]1CCCC[C@H]1O SC-26535 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.5 N[C@@H]1CCCNC1=O SC-48796 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.5 N[C@H]1CCCC[C@@H]1O SC-26530 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.5 N[C@H]1CCCC[C@H]1O SC-26560 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.5 N[C@H]1CCCC[C@H]1O SC-35500 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.5 N[C@H]1CCCC[C@H]1O SC-70916 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.5 N[C@H]1CCCC[C@H]1O SC-99850 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.5 N[C@H]1CCCNC1=O SC-27263 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.5 O=C1CCCCC1=O SC-46435 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.5 O=C1CCCCC1Br SC-86496 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.5 O=C1CCCCC1Cl SC-20977 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.5 O=C1CCCCC1O SC-49144 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.5 O=C1CCNCC1Br SC-94331 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.5 O=C1CCOCC1Br SC-33711 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.5 O=C1NCCCC1O SC-14922 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.5 O[C@@H]1CCCC[C@H]1O SC-20091 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.5 O[C@H]1CCCC[C@H]1O SC-95524 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.7 CC(=O)C1CCCC1 SC-69830 [0,0,0,1,0,0|1,0,0]=2 146 B8R1.7 NC(=O)C1CCCN1 SC-24789 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.7 NC(=O)C1CCNC1 SC-A3191 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.7 O=C(Cl)N1CCCC1 SC-72914 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [0,0,0,1,0,0|0,0,2]=3 152 B8R1.7 O=C(O)C1CC=CC1 SC-25940 [0,0,0,1,0,0|0,0,2]=3 153 B8R1.7 O=C(O)C1CCCC1 SC-18675 [0,0,0,1,0,0|0,0,0]=1 154 B8R1.7 O=C(O)C1CCCN1 SC-09807 [0,0,0,1,0,0|1,0,0]=2 155 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [0,0,0,1,0,0|1,0,0]=2 156 B8R1.7 O=C(O)C1CCOC1 SC-21248 [0,0,0,1,0,0|1,0,0]=2 157 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [0,0,0,1,0,0|1,0,0]=2 158 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [0,0,0,1,0,0|1,0,0]=2 160 B8R1.7 O=C(O)[C@@H]1CSCN1 SC-77532 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [0,0,0,1,0,0|1,0,0]=2 162 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [0,0,0,1,0,0|1,0,0]=2 163 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [0,0,0,1,0,0|1,0,0]=2 164 B8R1.7 OB(O)C1CCCC1 SC-58324 [0,0,0,1,0,0|1,0,1]=3 165 B8R1.7 S=C([S-])N1CCCC1 SC-15169 [0,0,0,1,0,0|1,2,0]=4 166 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [0,0,0,1,0,0|1,0,0]=2 167 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.18 CC1CC(=O)OC1=O SC-97577 [0,0,0,1,0,0|1,0,1]=3 169 B8R1.18 CC1NC(=O)OC1=O SC-19848 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.18 CC1NC(=O)OC1=O SC-48689 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.23 C=C1CC(C(=O)O)C1 SC-20999 [0,0,0,1,0,0|0,0,2]=3 172 B8R1.23 CC(=O)N1CC(N)C1 SC-51444 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.23 CC(=O)N1CC(N)C1 SC-A3072 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,0,0,1,0,0|0,0,0]=1 175 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,0,0,1,0,0|1,0,0]=2 176 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,0,0,1,0,0|1,0,0]=2 177 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [0,0,0,1,0,0|1,0,1]=3 178 B8R1.54 NC(C(=O)O)C1CC1 SC-45627 [0,0,0,1,0,0|1,0,0]=2 179 B8R1.54 N[C@H](C(=O)O)C1CC1 SC-20216 [0,0,0,1,0,0|1,0,0]=2 180 B8R1.54 O=C(O)C(=O)C1CC1 SC-49223 [0,0,0,1,0,0|1,0,1]=3 181 B8R1.78 CC1(C(=O)O)CCC1 SC-25545 [0,0,0,1,0,0|0,0,0]=1 182 B8R1.78 CC1(C(=O)O)COC1 SC-26457 [0,0,0,1,0,0|1,0,0]=2 183 B8R1.78 NC1(C(=O)O)CCC1 SC-21579 [0,0,0,1,0,0|1,0,0]=2 184 B8R1.78 NC1(C(=O)O)CCC1 SC-25077 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.78 NC1(C(=O)O)CCC1 SC-53797 [0,0,0,1,0,0|1,0,0]=2 186 B8R1.78 O=C(O)C1(Br)CCC1 SC-65747 [0,0,0,1,0,0|1,0,0]=2 187 B8R0.5 CCOC(=O)CC(=O)O SC-17786 [0,0,0,0,0,1|2,0,1]=4 188 B5R0.1 C#CCC(=O)O SC-40344 [2,0,0,0,0,0|0,0,2]=4 189 B5R0.1 C=C(C)CCBr SC-26305 [2,0,0,0,0,0|1,0,1]=4 190 B5R0.1 C=C(C)OCC SC-18086 [2,0,0,0,0,0|1,0,1]=4 191 B5R0.1 C=CCC(=O)O SC-49093 [2,0,0,0,0,0|0,0,2]=4 192 B5R0.1 CC#CC(=O)O SC-76460 [2,0,0,0,0,0|0,0,2]=4 193 B5R0.1 CC(=O)CCCl SC-21586 [2,0,0,0,0,0|1,0,1]=4 194 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|1,0,1]=4 195 B5R0.1 CC(N)CCO SC-82589 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.1 CCCB(O)O SC-47544 [2,0,0,0,0,0|1,0,1]=4 197 B5R0.1 CCCC(=N)N SC-19347 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.1 CCCC(=O)Cl SC-18924 [2,0,0,0,0,0|1,0,0]=3 199 B5R0.1 CCCC(=O)[O-] SC-15718 [2,0,0,0,0,0|0,0,1]=3 200 B5R0.1 CCCC(C)N SC-53929 [2,0,0,0,0,0|1,0,0]=3 201 B5R0.1 CCCC(C)O SC-03320 [2,0,0,0,0,0|0,0,0]=2 202 B5R0.1 CCCC(N)=O SC-46377 [2,0,0,0,0,0|1,0,0]=3 203 B5R0.1 CCNC(C)C SC-84122 [2,0,0,0,0,0|1,0,1]=4 204 B5R0.1 CCOC(N)=O SC-16133 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.1 CNCC(=O)O SC-10425 [2,0,0,0,0,0|1,0,0]=3 206 B5R0.1 CNCC(N)=O SC-10429 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.1 COCC(=O)Cl SC-27381 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.1 COCC(C)N SC-48787 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.1 COCC(C)O SC-00293 [2,0,0,0,0,0|1,0,0]=3 210 B5R0.1 COC[C@@H](C)N SC-47724 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.1 COC[C@@H](C)O SC-04836 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.1 CS(=O)CCN SC-89327 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.1 CSCS(C)=O SC-87090 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.1 C[C@@H](N)CCO SC-48293 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.1 C[C@@H](O)CCO SC-05919 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.1 C[C@H](O)CCO SC-02840 [2,0,0,0,0,0|1,0,0]=3 217 B5R0.1 C\C=C/C(=O)O SC-25924 [2,0,0,0,0,0|0,0,2]=4 218 B5R0.1 N#CCC(=O)O SC-18648 [2,0,0,0,0,0|1,0,1]=4 219 B5R0.1 NCCC(=O)O SC-10014 [2,0,0,0,0,0|1,0,0]=3 220 B5R0.1 NCCC(N)=O SC-48688 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.1 NCCC(N)=O SC-84499 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.1 O=C(Cl)CCCl SC-16310 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.1 O=C(O)CCBr SC-18441 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.1 O=C(O)CCS SC-22642 [2,0,0,0,0,0|1,0,0]=3 225 B5R0.2 C=CCCCBr SC-47340 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.2 C=CCCCN SC-28944 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.2 C=CCCCO SC-78424 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.2 CC#CCC=O SC-89818 [2,0,0,0,0,0|0,0,2]=4 229 B5R0.2 CCCCNN SC-68008 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.2 CNCCCO SC-94106 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.2 COCCC=O SC-85357 [2,0,0,0,0,0|1,0,0]=3 232 B5R0.2 NCCCCO SC-48186 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.2 O=CCCC=O SC-13455 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.2 O=CCCCBr SC-69595 [2,0,0,0,0,0|1,0,0]=3 235 B5R0.2 OCCCCBr SC-12645 [2,0,0,0,0,0|1,0,1]=4 236 B5R0.2 OCCCCCl SC-23109 [2,0,0,0,0,0|1,0,1]=4 237 B5R0.3 C=CC(O)CC SC-93539 [2,0,0,0,0,0|2,0,0]=4 238 B5R0.3 CC(CO)CBr SC-35572 [2,0,0,0,0,0|1,0,1]=4 239 B5R0.3 CCC(C)CO SC-08990 [2,0,0,0,0,0|0,0,1]=3 240 B5R0.3 CCC(N)CO SC-21072 [2,0,0,0,0,0|1,0,1]=4 241 B5R0.3 CO[C@H](C)CO SC-71357 [2,0,0,0,0,0|1,0,1]=4 242 B5R0.3 O=CC(O)CO SC-04830 [2,0,0,0,0,0|2,0,0]=4 243 B5R0.3 [C@H](N)(CC)CO SC-08958 [2,0,0,0,0,0|1,0,1]=4 244 B5R0.5 CC(=O)C(=O)O SC-17382 [2,0,0,0,0,0|1,0,1]=4 245 B5R0.5 CC(=O)C(C)C SC-18478 [2,0,0,0,0,0|1,0,0]=3 246 B5R0.5 CC(=O)C(C)Cl SC-46981 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.5 CC(=O)C(C)S SC-17208 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.5 CC(=O)N(C)C SC-54108 [2,0,0,0,0,0|2,0,0]=4 249 B5R0.5 CC(Br)C(N)=O SC-97497 [2,0,0,0,0,0|2,0,0]=4 250 B5R0.5 CC(C)B(O)O SC-66620 [2,0,0,0,0,0|1,0,1]=4 251 B5R0.5 CC(C)C(=N)N SC-13079 [2,0,0,0,0,0|2,0,0]=4 252 B5R0.5 CC(F)C(=O)O SC-83429 [2,0,0,0,0,0|1,0,0]=3 253 B5R0.5 CC(N)C(=O)O SC-09271 [2,0,0,0,0,0|1,0,0]=3 254 B5R0.5 CC(N)C(N)=O SC-94219 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.5 CC(O)C(=O)[O-] SC-19308 [2,0,0,0,0,0|1,0,1]=4 256 B5R0.5 CC(O)C(=O)[O-] SC-25623 [2,0,0,0,0,0|1,0,1]=4 257 B5R0.5 CC(O)C(=O)[O-] SC-75139 [2,0,0,0,0,0|1,0,1]=4 258 B5R0.5 CC(S)C(=O)O SC-74563 [2,0,0,0,0,0|1,0,0]=3 259 B5R0.5 CN(C)C(=O)Cl SC-15201 [2,0,0,0,0,0|2,0,0]=4 260 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [2,0,0,0,0,0|1,0,0]=3 261 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [2,0,0,0,0,0|1,0,0]=3 262 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [2,0,0,0,0,0|1,0,0]=3 263 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [2,0,0,0,0,0|2,0,0]=4 264 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [2,0,0,0,0,0|2,0,0]=4 265 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [2,0,0,0,0,0|1,0,0]=3 266 B5R0.5 C[C@H](N)C(=O)O SC-09272 [2,0,0,0,0,0|1,0,0]=3 267 B5R0.5 C[C@H](N)C(N)=O SC-03542 [2,0,0,0,0,0|2,0,0]=4 268 B5R0.5 C[C@H](O)C(N)=O SC-73228 [2,0,0,0,0,0|2,0,0]=4 269 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [2,0,0,0,0,0|2,0,0]=4 270 B5R0.5 O=C(O)C(F)Br SC-49620 [2,0,0,0,0,0|2,0,0]=4 271 B5R0.5 O=C(O)C(F)F SC-25529 [2,0,0,0,0,0|2,0,0]=4 272 B5R0.5 [2H]C(=O)N(C)C SC-97589 [2,0,0,0,0,0|2,0,0]=4 273 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [2,0,0,0,0,0|1,0,0]=3 274 B7R0.2 CC(C)C[C@@H](N)CO SC-15764 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.2 CC(C)C[C@H](N)CO SC-08985 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.3 CC(CCCO)NN SC-14213 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.3 CCCCC(O)CO SC-74356 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.3 CCOCC(O)CO SC-90419 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.3 CCSCC(C)NN SC-14211 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.7 CC(CCO)CCO SC-15062 [1,1,0,0,0,0|1,0,1]=4 281 B7R0.7 CCC[C@H](N)CCO SC-A3499 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.10 CC[C@H](C)[C@H](N)CO SC-08984 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.11 CCCC(C)(Br)CBr SC-94098 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.13 C#CC(C)(C)C(=O)O SC-12019 [1,1,0,0,0,0|0,0,2]=4 285 B7R0.13 C=CC(C)(C)C(=O)O SC-72463 [1,1,0,0,0,0|0,0,2]=4 286 B7R0.13 CC(C)(C#N)C(=O)O SC-65742 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.13 CC(C)(CF)C(=O)O SC-91781 [1,1,0,0,0,0|1,0,0]=3 288 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [1,1,0,0,0,0|1,0,0]=3 289 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [1,1,0,0,0,0|0,0,0]=2 290 B7R0.13 COC(C)(C)C(=O)O SC-49777 [1,1,0,0,0,0|1,0,0]=3 291 B7R0.13 C[C@@](N)(CS)C(=O)O SC-48129 [1,1,0,0,0,0|1,0,0]=3 292 B7R0.15 CCN(CC)C(=O)Cl SC-74686 [1,1,0,0,0,0|2,0,0]=4 293 B7R0.15 CNC(CO)C(=O)O SC-26706 [1,1,0,0,0,0|1,0,0]=3 294 B7R0.15 COC(OC)C(C)=O SC-05972 [1,1,0,0,0,0|2,0,0]=4 295 B7R0.15 O=C(O)C(CBr)CBr SC-16780 [1,1,0,0,0,0|1,0,0]=3 296 B7R0.15 O=C(O)C(CF)CF SC-41163 [1,1,0,0,0,0|1,0,0]=3 297 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [1,1,0,0,0,0|1,0,0]=3 298 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [1,1,0,0,0,0|1,0,0]=3 301 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [1,1,0,0,0,0|1,0,0]=3 302 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [1,1,0,0,0,0|1,0,0]=3 303 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [1,1,0,0,0,0|1,0,0]=3 304 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [1,1,0,0,0,0|1,0,0]=3 305 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [1,1,0,0,0,0|1,0,0]=3 306 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [1,1,0,0,0,0|2,0,0]=4 307 B7R0.16 CC(O)C(C)[N+](=O)[O-] SC-18769 [1,1,0,0,0,0|1,0,1]=4 308 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [1,1,0,0,0,0|1,0,0]=3 309 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [1,1,0,0,0,0|1,0,0]=3 310 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [1,1,0,0,0,0|1,0,0]=3 311 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [1,1,0,0,0,0|1,0,0]=3 312 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [1,1,0,0,0,0|1,0,0]=3 313 B7R0.4 C#CCCCC(=O)O SC-73017 [1,1,0,0,0,0|0,0,1]=3 314 B7R0.4 C#CCNCC(=O)O SC-10418 [1,1,0,0,0,0|0,0,2]=4 315 B7R0.4 C#CCNCC(=O)O SC-10419 [1,1,0,0,0,0|0,0,2]=4 316 B7R0.4 C#CCNCC(=O)O SC-65650 [1,1,0,0,0,0|0,0,2]=4 317 B7R0.4 C=CCNCC(=O)O SC-74362 [1,1,0,0,0,0|0,0,2]=4 318 B7R0.4 C=CCOCC(=O)O SC-49027 [1,1,0,0,0,0|0,0,2]=4 319 B7R0.4 CCCC#CC(=O)O SC-96568 [1,1,0,0,0,0|0,0,1]=3 320 B7R0.4 CCCNCC(=O)O SC-97541 [1,1,0,0,0,0|0,0,0]=2 321 B7R0.4 CCCSCC(=O)O SC-45283 [1,1,0,0,0,0|0,0,0]=2 322 B7R0.4 CCC\C=C\C(C)=O SC-49007 [1,1,0,0,0,0|1,0,1]=4 323 B7R0.4 CCO\C=C\C(=O)O SC-89061 [1,1,0,0,0,0|0,0,2]=4 324 B7R0.4 CNCCCC(=O)O SC-49793 [1,1,0,0,0,0|0,0,0]=2 325 B7R0.4 CNCCCC(=O)O SC-A2900 [1,1,0,0,0,0|0,0,0]=2 326 B7R0.4 COCCCC(=O)O SC-51378 [1,1,0,0,0,0|0,0,0]=2 327 B7R0.4 COCCNC(N)=O SC-62189 [1,1,0,0,0,0|2,0,0]=4 328 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,1,0,0,0,0|0,0,1]=3 329 B7R0.4 NC(=O)CCCCBr SC-98143 [1,1,0,0,0,0|1,0,0]=3 330 B7R0.4 NCCCCC(=O)O SC-10120 [1,1,0,0,0,0|0,0,0]=2 331 B7R0.4 NCCCCC(=O)O SC-92391 [1,1,0,0,0,0|0,0,0]=2 332 B7R0.4 NCCCCC(N)=O SC-94858 [1,1,0,0,0,0|1,0,0]=3 333 B7R0.4 NCCCCC(N)=O SC-A4262 [1,1,0,0,0,0|1,0,0]=3 334 B7R0.4 NCCNCC(=O)O SC-21750 [1,1,0,0,0,0|1,0,0]=3 335 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,1,0,0,0,0|1,0,0]=3 336 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,1,0,0,0,0|1,0,0]=3 337 B7R0.4 O=C(O)CCCCBr SC-02338 [1,1,0,0,0,0|0,0,0]=2 338 B7R0.4 O=C([O-])COCCO SC-A2671 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.6 CC(=O)OCC(C)C SC-25600 [1,1,0,0,0,0|2,0,0]=4 340 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,1,0,0,0,0|0,0,0]=2 341 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [1,1,0,0,0,0|1,0,0]=3 344 B7R0.6 CC(O)CCC(C)O SC-92842 [1,1,0,0,0,0|1,0,1]=4 345 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,1,0,0,0,0|1,0,0]=3 346 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,1,0,0,0,0|1,0,0]=3 347 B7R0.6 CN(C)CCC(N)=O SC-89196 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,1,0,0,0,0|1,0,0]=3 349 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [1,1,0,0,0,0|1,0,1]=4 350 B7R0.6 O=C(O)CCC(=O)O SC-47173 [1,1,0,0,0,0|1,0,1]=4 351 B7R0.8 CNCCS(=O)(=O)O SC-99470 [1,1,0,0,0,0|2,0,0]=4 352 B7R0.8 NCCCS(=O)(=O)O SC-17979 [1,1,0,0,0,0|2,0,0]=4 353 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,1,0,0,0,1|1,0,0]=3 354 B9R0.53 CC(CC(=O)O)CC(=O)O SC-15126 [0,1,0,0,0,1|1,0,1]=4 355 B9R0.27 CCC(=O)C(C)C(=O)OC SC-43692 [0,2,0,0,0,0|0,0,1]=3 356 B9R0.27 COC(=O)C(C)C(=O)OC SC-52118 [0,2,0,0,0,0|1,0,1]=4 357 B9R0.41 CCC(CC)C(N)C(=O)O SC-59524 [0,2,0,0,0,0|1,0,0]=3 358 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,2,0,0,0,0|1,0,0]=3 359 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O SC-A0972 [0,2,0,0,0,0|1,0,0]=3 360 B9R0.8 COC(=O)C(Br)CCCBr SC-A2626 [0,2,0,0,0,0|1,0,0]=3 361 B9R0.8 COC(=O)C(N)CCSC SC-17534 [0,2,0,0,0,0|1,0,0]=3 362 B9R0.35 CCCC(=O)C(=O)OCC SC-70469 [0,2,0,0,0,0|1,0,1]=4 363 B9R0.35 CCCC(Br)C(=O)OCC SC-22687 [0,2,0,0,0,0|1,0,0]=3 364 B9R0.35 CCOC(=O)C(Cl)OCC SC-93070 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,2,0,0,0,0|1,0,0]=3 367 B9R0.7 CC(CCC(=O)Cl)C(=O)Cl SC-25336 [0,2,0,0,0,0|1,0,1]=4 368 B9R0.7 NC(=O)CCC(N)C(=O)O SC-09535 [0,2,0,0,0,0|1,0,1]=4 369 B9R0.7 NC(CCC(=O)O)C(=O)O SC-05406 [0,2,0,0,0,0|1,0,1]=4 370 B9R0.7 NC(CCC(=O)O)C(=O)O SC-27100 [0,2,0,0,0,0|1,0,1]=4 371 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SC-05605 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.13 CCCCC(CC)C(=O)[O-] SC-15914 [0,2,0,0,0,0|0,0,1]=3 374 B9R0.13 CCCCC(CC)C(=O)[O-] SC-21305 [0,2,0,0,0,0|0,0,1]=3 375 B9R0.42 COC(=O)CC(C)C(=O)O SC-49578 [0,2,0,0,0,0|0,0,1]=3 376 B9R0.42 COC(=O)CC(N)C(=O)O SC-34732 [0,2,0,0,0,0|1,0,1]=4 377 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-09414 [0,2,0,0,0,0|1,0,1]=4 378 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-49628 [0,2,0,0,0,0|1,0,1]=4 379 B9R0.47 C=CCSCC(N)C(=O)O SC-10024 [0,2,0,0,0,0|1,0,1]=4 380 B9R0.47 CCCCCC(N)C(=O)O SC-10084 [0,2,0,0,0,0|1,0,0]=3 381 B9R0.47 CCCCCC(N)C(=O)O SC-10085 [0,2,0,0,0,0|1,0,0]=3 382 B9R0.47 CCCCC[C@@H](N)C(=O)O SC-10086 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.47 CCSCCC(N)C(=O)O SC-10254 [0,2,0,0,0,0|1,0,0]=3 384 B9R0.47 NCCCCC(N)C(=O)O SC-06113 [0,2,0,0,0,0|1,0,0]=3 385 B9R0.47 NCCCCC(N)C(=O)O SC-09672 [0,2,0,0,0,0|1,0,0]=3 386 B9R0.47 NCCCCC(N)C(=O)O SC-19760 [0,2,0,0,0,0|1,0,0]=3 387 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09670 [0,2,0,0,0,0|1,0,0]=3 388 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09674 [0,2,0,0,0,0|1,0,0]=3 389 B9R0.47 [C@@H](N)(CCCCN)C(=O)O SC-07335 [0,2,0,0,0,0|1,0,0]=3 390 B9R0.51 C=CCCC(C)(C)C(=O)O SC-34922 [0,2,0,0,0,0|0,0,1]=3 391 B9R0.11 CC(C)(CC(=O)O)C(=O)O SC-26972 [0,2,0,0,0,0|1,0,1]=4 392 B9R0.15 CCCC(CCC)C(=O)O SC-23854 [0,2,0,0,0,0|0,0,0]=2 393 B9R0.15 CCCC(CCC)C(=O)[O-] SC-47192 [0,2,0,0,0,0|0,0,1]=3 394 B9R0.33 CCCC(C(=O)O)C(=O)O SC-A3932 [0,2,0,0,0,0|0,0,1]=3 395 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O SC-09436 [0,2,0,0,0,0|1,0,1]=4 396 B9R0.39 CC(=O)N[C@H](CS)C(=O)O SC-68544 [0,2,0,0,0,0|1,0,1]=4 397 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,2,0,0,0,0|0,0,0]=2 398 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,2,0,0,0,0|1,0,0]=3 399 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,2,0,0,0,0|1,0,0]=3 400 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,2,0,0,0,0|1,0,0]=3 401 B7R1.1 BrCC1CCCC1 SC-04017 [1,0,0,1,0,0|1,0,1]=4 402 B7R1.1 C#CC1CCCC1 SC-82441 [1,0,0,1,0,0|1,0,1]=4 403 B7R1.1 CNC1CCCC1 SC-52894 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.1 CNC1CCCC1 SC-A3381 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.1 N#CC1CCCC1 SC-84423 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.1 NCC1CCCC1 SC-22285 [1,0,0,1,0,0|1,0,1]=4 407 B7R1.1 NCC1CCCC1 SC-25234 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.1 NNC1CCCC1 SC-12771 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.1 NNC1CCCC1 SC-62645 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.1 O=CC1CCCC1 SC-21778 [1,0,0,1,0,0|0,0,0]=2 411 B7R1.1 O=CC1CCCC1 SC-44728 [1,0,0,1,0,0|0,0,0]=2 412 B7R1.1 O=CC1CCNC1 SC-85271 [1,0,0,1,0,0|1,0,0]=3 413 B7R1.1 OCC1CCCC1 SC-03842 [1,0,0,1,0,0|0,0,1]=3 414 B7R1.1 OCC1CCCN1 SC-12006 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.1 OCC1CCCO1 SC-94849 [1,0,0,1,0,0|1,0,1]=4 416 B7R1.1 OCC1CCOC1 SC-21250 [1,0,0,1,0,0|1,0,1]=4 417 B7R1.1 OC[C@@H]1CCCN1 SC-02696 [1,0,0,1,0,0|1,0,1]=4 418 B7R1.1 OC[C@@H]1CCCN1 SC-48321 [1,0,0,1,0,0|1,0,1]=4 419 B7R1.1 OC[C@@H]1CCCO1 SC-20330 [1,0,0,1,0,0|1,0,1]=4 420 B7R1.1 OC[C@@H]1CCNC1 SC-48002 [1,0,0,1,0,0|1,0,1]=4 421 B7R1.1 OC[C@H]1CCCN1 SC-06270 [1,0,0,1,0,0|1,0,1]=4 422 B7R1.3 BrC1CCCOC1 SC-43426 [1,0,0,1,0,0|1,0,1]=4 423 B7R1.3 CC1=CCCCC1 SC-99243 [1,0,0,1,0,0|1,0,1]=4 424 B7R1.3 CC1CCCCC1 SC-79075 [1,0,0,1,0,0|1,0,1]=4 425 B7R1.3 CC1CCCNC1 SC-46299 [1,0,0,1,0,0|1,0,1]=4 426 B7R1.3 CC1COCCN1 SC-49161 [1,0,0,1,0,0|1,0,1]=4 427 B7R1.3 C[C@@H]1COCCN1 SC-53994 [1,0,0,1,0,0|1,0,1]=4 428 B7R1.3 C[C@H]1CCCNC1 SC-99949 [1,0,0,1,0,0|1,0,1]=4 429 B7R1.3 C[C@H]1COCCN1 SC-21564 [1,0,0,1,0,0|1,0,1]=4 430 B7R1.3 C[C@H]1COCCN1 SC-69967 [1,0,0,1,0,0|1,0,1]=4 431 B7R1.3 NC1CCCOC1 SC-35742 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.3 NC1CCCOC1 SC-49332 [1,0,0,1,0,0|1,0,1]=4 433 B7R1.3 N[C@@H]1CCCOC1 SC-71639 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.3 N[C@@H]1CCCOC1 SC-96408 [1,0,0,1,0,0|1,0,1]=4 435 B7R1.3 N[C@H]1CCCOC1 SC-94110 [1,0,0,1,0,0|1,0,1]=4 436 B7R1.3 OC1CCCOC1 SC-19794 [1,0,0,1,0,0|1,0,1]=4 437 B7R1.3 OC1CCCOC1 SC-35801 [1,0,0,1,0,0|1,0,1]=4 438 B7R1.4 CC1=CCCC1=O SC-15856 [1,0,0,1,0,0|0,0,2]=4 439 B7R1.4 CC1CCCC1=O SC-89605 [1,0,0,1,0,0|0,0,0]=2 440 B7R1.4 CC1CCNC1=O SC-21672 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.4 CC1CCOC1=O SC-20996 [1,0,0,1,0,0|1,0,0]=3 442 B7R1.4 CN1CCNC1=O SC-89793 [1,0,0,1,0,0|2,0,0]=4 443 B7R1.4 NC1CCCC1O SC-21764 [1,0,0,1,0,0|1,0,1]=4 444 B7R1.4 NC1CCNC1=O SC-13910 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.4 NC1CCNC1=O SC-53072 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [1,0,0,1,0,0|2,0,0]=4 447 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [1,0,0,1,0,0|2,0,0]=4 448 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [1,0,0,1,0,0|2,0,0]=4 449 B7R1.4 N[C@H]1CCC[C@@H]1O SC-27686 [1,0,0,1,0,0|1,0,1]=4 450 B7R1.4 N[C@H]1CCNC1=O SC-96457 [1,0,0,1,0,0|2,0,0]=4 451 B7R1.4 N[C@H]1CCOC1=O SC-01385 [1,0,0,1,0,0|2,0,0]=4 452 B7R1.4 N[C@H]1CCOC1=O SC-28113 [1,0,0,1,0,0|2,0,0]=4 453 B7R1.4 O=C1CCCC1Cl SC-21538 [1,0,0,1,0,0|1,0,0]=3 454 B7R1.4 O=C1NCCC1O SC-26159 [1,0,0,1,0,0|2,0,0]=4 455 B7R1.4 O=C1NCC[C@H]1O SC-87526 [1,0,0,1,0,0|2,0,0]=4 456 B7R1.4 O=C1OCCC1Br SC-15437 [1,0,0,1,0,0|2,0,0]=4 457 B7R1.4 O[C@@H]1CCC[C@H]1O SC-A2623 [1,0,0,1,0,0|1,0,1]=4 458 B7R1.4 [C@@H]1(N)CCC[C@H]1O SC-16146 [1,0,0,1,0,0|1,0,1]=4 459 B7R1.4 [C@H]1(N)CCC[C@H]1O SC-25435 [1,0,0,1,0,0|1,0,1]=4 460 B7R1.6 CNCC1COC1 SC-82720 [1,0,0,1,0,0|1,0,1]=4 461 B7R1.6 NCCC1COC1 SC-49992 [1,0,0,1,0,0|1,0,1]=4 462 B7R1.6 OCCC1COC1 SC-53429 [1,0,0,1,0,0|1,0,1]=4 463 B7R1.25 CC1(CO)COC1 SC-27080 [1,0,0,1,0,0|1,0,1]=4 464 B7R1.25 NC1(CO)CCC1 SC-17718 [1,0,0,1,0,0|1,0,1]=4 465 B7R1.25 NC1(CO)CCC1 SC-B7244 [1,0,0,1,0,0|1,0,1]=4 466 B7R1.12 O=C(O)C1CC1F SC-85228 [1,0,0,1,0,0|1,0,0]=3 467 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [1,0,0,1,0,0|1,0,0]=3 468 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [1,0,0,1,0,0|1,0,0]=3 469 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [1,0,0,1,0,0|1,0,0]=3 470 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,1,0,0|1,0,0]=3 471 B7R1.18 CC(O)C1CCC1 SC-22088 [1,0,0,1,0,0|1,0,1]=4 472 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [1,0,0,1,0,0|2,0,0]=4 473 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,1,0,0|1,0,0]=3 474 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,1,0,0|0,0,0]=2 475 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,1,0,0|1,0,0]=3 476 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,1,0,0|1,0,0]=3 477 B7R1.18 OB(O)C1CCC1 SC-21363 [1,0,0,1,0,0|1,0,1]=4 478 B7R1.19 CC(=O)C1(F)CC1 SC-83098 [1,0,0,1,0,0|2,0,0]=4 479 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [1,0,0,1,0,0|0,0,0]=2 480 B7R1.19 CC1(C(=O)O)CO1 SC-A2140 [1,0,0,1,0,0|1,0,0]=3 481 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [1,0,0,1,0,0|1,0,0]=3 482 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [1,0,0,1,0,0|1,0,0]=3 483 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [1,0,0,1,0,0|1,0,0]=3 484 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [1,0,0,1,0,0|1,0,0]=3 485 B7R1.14 O=S1(=O)CCCC1 SC-46369 [1,0,0,1,0,0|1,0,1]=4 486 B7R1.20 CC(=O)CC1CC1 SC-21396 [1,0,0,1,0,0|1,0,0]=3 487 B7R1.20 NC(=O)NC1CC1 SC-84633 [1,0,0,1,0,0|2,0,0]=4 488 B7R1.20 O=C(O)CC1CC1 SC-13938 [1,0,0,1,0,0|0,0,0]=2 489 B9R1.7 COCC1CNC(=O)C1 SC-48746 [0,0,0,1,0,1|2,0,0]=4 490 B9R1.13 O=C(O)CC1CCCN1 SC-49134 [0,0,0,1,0,1|1,0,0]=3 491 B9R1.13 O=C(O)CC1CCCN1 SC-70978 [0,0,0,1,0,1|1,0,0]=3 492 B9R1.13 O=C(O)CC1CCNC1 SC-53663 [0,0,0,1,0,1|1,0,0]=3 493 B9R1.13 O=C(O)CN1CCCC1 SC-69994 [0,0,0,1,0,1|1,0,0]=3 494 B9R1.13 O=C(O)C[C@@H]1CCCN1 SC-86132 [0,0,0,1,0,1|1,0,0]=3 495 B9R1.34 CC1CC(=O)CC(C)N1 SC-49668 [0,0,0,1,0,1|2,0,0]=4 496 B9R1.34 CC1CC(=O)CC(C)O1 SC-43659 [0,0,0,1,0,1|2,0,0]=4 497 B9R1.34 CC1CC(=O)OC(=O)C1 SC-68133 [0,0,0,1,0,1|1,0,1]=4 498 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)N1 SC-88301 [0,0,0,1,0,1|2,0,0]=4 499 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 SC-88300 [0,0,0,1,0,1|2,0,0]=4 500 B9R1.41 CN1CCC[C@H]1C(=O)O SC-21471 [0,0,0,1,0,1|1,0,0]=3 501 B9R1.41 NC1CCCC1C(=O)O SC-A3650 [0,0,0,1,0,1|1,0,0]=3 502 B9R1.137 NC(CC(=O)O)C1CC1 SC-89968 [0,0,0,1,0,1|1,0,0]=3 503 B9R1.3 CC1C(=O)CCCC1=O SC-24698 [0,1,0,1,0,0|1,0,1]=4 504 B9R1.37 CC1CN(C)C(=O)N1C SC-27339 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.110 NC(C(=O)O)C1CCC1 SC-94779 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.11 COC(=O)C1=CCCC1 SC-47854 [0,1,0,1,0,0|0,0,2]=4 507 B9R1.11 COC(=O)C1CC=CC1 SC-19292 [0,1,0,1,0,0|0,0,2]=4 508 B9R1.11 COC(=O)C1CCCC1 SC-58226 [0,1,0,1,0,0|0,0,0]=2 509 B9R1.11 COC(=O)C1CCCN1 SC-01646 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.11 COC(=O)C1CCCN1 SC-12256 [0,1,0,1,0,0|1,0,0]=3 511 B9R1.11 COC(=O)C1CCOC1 SC-99459 [0,1,0,1,0,0|1,0,0]=3 512 B9R1.11 COC(=O)[C@@H]1CCCN1 SC-17303 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.11 COC(=O)[C@@H]1CCNC1 SC-70520 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.11 COC(=O)[C@H]1CCCN1 SC-09823 [0,1,0,1,0,0|1,0,0]=3 515 B9R1.11 COC(=O)[C@H]1CCCN1 SC-50892 [0,1,0,1,0,0|1,0,0]=3 516 B9R1.11 O=C(CBr)C1CCCC1 SC-14732 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.11 O=C(CCl)N1CCCC1 SC-71359 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.15 C[C@H]1CCCN[C@@H]1CO SC-91585 [0,1,0,1,0,0|1,0,1]=4 519 B9R1.15 N#CC1CCCCC1=O SC-77521 [0,1,0,1,0,0|1,0,1]=4 520 B9R1.69 CC1CN(C)C(=O)CN1 SC-24030 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.69 CC1CN(C)CCC1=O SC-21048 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.82 C=C1CC(C(=O)OC)C1 SC-48884 [0,1,0,1,0,0|0,0,2]=4 523 B9R1.82 COC(=O)C1CC(=O)C1 SC-21555 [0,1,0,1,0,0|1,0,1]=4 524 B9R1.82 COC(=O)C1CC(Cl)C1 SC-B8557 [0,1,0,1,0,0|1,0,0]=3 525 B9R1.82 COC(=O)C1CC(O)C1 SC-53013 [0,1,0,1,0,0|1,0,0]=3 526 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SC-99994 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.186 COC(=O)C1(C)CNC1 SC-B8359 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.186 COC(=O)C1(N)CCC1 SC-83956 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.186 COC(=O)C1(N)COC1 SC-B7558 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.6 CC(=O)C1CCNCC1 SC-48315 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.6 CC(=O)C1CCOCC1 SC-66039 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.6 CC(=O)N1CCNCC1 SC-00989 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.6 CC(O)C1CCCCC1 SC-22092 [0,1,0,1,0,0|1,0,1]=4 534 B9R1.6 NC(=O)C1CCNCC1 SC-04160 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.6 O=C(Cl)C1CCCCC1 SC-22783 [0,1,0,1,0,0|1,0,0]=3 536 B9R1.6 O=C(Cl)C1CCOCC1 SC-49140 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.6 O=C(O)C1=CCCNC1 SC-99979 [0,1,0,1,0,0|0,0,2]=4 538 B9R1.6 O=C(O)C1CC=CCC1 SC-19459 [0,1,0,1,0,0|0,0,1]=3 539 B9R1.6 O=C(O)C1CCCCC1 SC-22688 [0,1,0,1,0,0|0,0,0]=2 540 B9R1.6 O=C(O)C1CCCCN1 SC-03317 [0,1,0,1,0,0|0,0,0]=2 541 B9R1.6 O=C(O)C1CCCCN1 SC-04307 [0,1,0,1,0,0|0,0,0]=2 542 B9R1.6 O=C(O)C1CCCCN1 SC-05144 [0,1,0,1,0,0|0,0,0]=2 543 B9R1.6 O=C(O)C1CCCCO1 SC-27357 [0,1,0,1,0,0|0,0,0]=2 544 B9R1.6 O=C(O)C1CCCOC1 SC-49188 [0,1,0,1,0,0|0,0,0]=2 545 B9R1.6 O=C(O)C1CCNCC1 SC-04843 [0,1,0,1,0,0|0,0,0]=2 546 B9R1.6 O=C(O)C1CCOCC1 SC-05124 [0,1,0,1,0,0|0,0,0]=2 547 B9R1.6 O=C(O)C1CNCCN1 SC-21327 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.6 O=C(O)C1CNCCO1 SC-27398 [0,1,0,1,0,0|1,0,0]=3 549 B9R1.6 O=C(O)C1CNCCS1 SC-A2935 [0,1,0,1,0,0|1,0,0]=3 550 B9R1.6 O=C(O)C1COCCN1 SC-22999 [0,1,0,1,0,0|1,0,0]=3 551 B9R1.6 O=C(O)C1COCCN1 SC-25354 [0,1,0,1,0,0|1,0,0]=3 552 B9R1.6 O=C(O)C1COCCN1 SC-27629 [0,1,0,1,0,0|1,0,0]=3 553 B9R1.6 O=C(O)C1CSCCN1 SC-47973 [0,1,0,1,0,0|1,0,0]=3 554 B9R1.6 O=C(O)N1CCSCC1 SC-33160 [0,1,0,1,0,0|1,0,0]=3 555 B9R1.6 O=C(O)[C@@H]1CC=CCC1 SC-92067 [0,1,0,1,0,0|0,0,1]=3 556 B9R1.6 O=C(O)[C@@H]1CNCCN1 SC-08890 [0,1,0,1,0,0|1,0,0]=3 557 B9R1.6 O=C(O)[C@@H]1CNCCN1 SC-12480 [0,1,0,1,0,0|1,0,0]=3 558 B9R1.6 O=C(O)[C@@H]1CSCCN1 SC-82353 [0,1,0,1,0,0|1,0,0]=3 559 B9R1.6 O=C(O)[C@H]1CC=CCC1 SC-65686 [0,1,0,1,0,0|0,0,1]=3 560 B9R1.6 O=C(O)[C@H]1CCCCN1 SC-01680 [0,1,0,1,0,0|0,0,0]=2 561 B9R1.6 O=C(O)[C@H]1CNCCN1 SC-00676 [0,1,0,1,0,0|1,0,0]=3 562 B9R1.6 O=C(O)[C@H]1CNCCN1 SC-12519 [0,1,0,1,0,0|1,0,0]=3 563 B9R1.6 O=C(O)[C@H]1CSCCN1 SC-33694 [0,1,0,1,0,0|1,0,0]=3 564 B9R1.6 OB(O)C1CCCCC1 SC-86762 [0,1,0,1,0,0|1,0,1]=4 565 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 SC-02884 [0,1,0,1,0,0|0,0,0]=2 566 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,1,0,1,0,0|0,0,0]=2 568 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,1,0,1,0,0|0,0,0]=2 569 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,1,0,1,0,0|0,0,0]=2 570 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,1,0,1,0,0|1,0,0]=3 571 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,1,0,1,0,0|0,0,0]=2 572 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,1,0,1,0,0|0,0,0]=2 573 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,1,0,1,0,0|0,0,0]=2 574 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,1,0,1,0,0|0,0,0]=2 575 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 SC-95196 [0,1,0,1,0,0|0,0,2]=4 576 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,1,0,1,0,0|0,0,0]=2 577 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,1,0,1,0,0|0,0,0]=2 578 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.35 O=C(O)C1CC(O)CN1 SC-09592 [0,1,0,1,0,0|1,0,0]=3 580 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,1,0,1,0,0|1,0,0]=3 581 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,1,0,1,0,0|0,0,0]=2 582 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,1,0,1,0,0|1,0,0]=3 583 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SC-09595 [0,1,0,1,0,0|1,0,0]=3 584 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,1,0,1,0,0|1,0,0]=3 585 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,1,0,1,0,0|0,0,1]=3 586 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,1,0,1,0,0|1,0,1]=4 587 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,1,0,1,0,0|1,0,1]=4 588 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,1,0,1,0,0|1,0,1]=4 589 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,1,0,1,0,0|1,0,1]=4 590 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,1,0,1,0,0|1,0,1]=4 591 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,1,0,1,0,0|1,0,1]=4 592 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,1,0,1,0,0|1,0,1]=4 593 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,1,0,1,0,0|1,0,1]=4 594 B9R1.39 NCCCC1CCC1O SC-95269 [0,1,0,1,0,0|1,0,1]=4 595 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,1,0,1,0,0|0,0,0]=2 596 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11116 [0,1,0,1,0,0|0,0,0]=2 597 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,1,0,1,0,0|1,0,0]=3 598 B9R1.163 CC1(C(=O)O)CCCC1 SC-26150 [0,1,0,1,0,0|0,0,0]=2 599 B9R1.163 C[C@]1(C(=O)O)CCCN1 SC-87593 [0,1,0,1,0,0|0,0,0]=2 600 B9R1.163 C[C@]1(C(=O)O)CCNC1 SC-A3614 [0,1,0,1,0,0|0,0,0]=2 601 B9R1.163 NC1(C(=O)O)CC=CC1 SC-31553 [0,1,0,1,0,0|0,0,2]=4 602 B9R1.163 NC1(C(=O)O)CCCC1 SC-11054 [0,1,0,1,0,0|0,0,0]=2 603 B9R1.163 NC1(C(=O)O)CCOC1 SC-35949 [0,1,0,1,0,0|1,0,0]=3 604 B9R1.163 O=C(O)C1(O)CCCC1 SC-A3517 [0,1,0,1,0,0|0,0,0]=2 605 B9R1.164 O=C(O)C1CC(F)(F)C1 SC-14449 [0,1,0,1,0,0|1,0,0]=3 606 B9R1.169 CC1(C(=O)O)CC1(F)F SC-B7708 [0,1,0,1,0,0|1,0,0]=3 607 B9R2.39 O=C1CC2CCC1C2 SC-50094 [0,0,0,2,0,0|1,0,0]=3 608 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 SC-52249 [0,0,0,2,0,0|1,0,0]=3 609 B9R2.109 O=C1CCCC2OC12 SC-A3025 [0,0,0,2,0,0|2,0,0]=4 610 B9R2.25 O=C1OC(=O)C2CC12 SC-26129 [0,0,0,2,0,0|1,0,1]=4