0 B12R0.42 CC(=O)C(C)CCCCCC(=O)O MCULE-9391199319 [0,0,0,0,0,0|2,0,2]=4 1 B12R0.42 CC(C)C(=O)CCCCCC(=O)O MCULE-3942492343 [0,0,0,0,0,0|1,0,0]=1 2 B12R0.42 C[C@H](N)C(=O)CCCCCC(=O)O MCULE-3314826257 [0,0,0,0,0,0|0,0,0]=0 3 B12R0.42 C[C@H](N)C(=O)CCCCCC(=O)O MCULE-9579447737 [0,0,0,0,0,0|0,0,0]=0 4 B12R0.42 O=C(O)CCCCCC(=O)C(=O)O MCULE-9194508818 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [1,0,0,0,0,0|1,0,2]=4 6 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [1,0,0,0,0,0|1,0,2]=4 7 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [1,0,0,0,0,0|2,0,1]=4 8 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [1,0,0,0,0,0|2,0,1]=4 9 B11R0.30 CC(C)/C=C\CCCCC(=O)O MCULE-3685314454 [1,0,0,0,0,0|1,0,1]=3 10 B11R0.30 CC(C)C=CCCCCC(=O)Cl MCULE-1586192501 [1,0,0,0,0,0|2,0,1]=4 11 B11R0.30 CC(C)C=CCCCCC(=O)O MCULE-9153738942 [1,0,0,0,0,0|1,0,1]=3 12 B11R0.30 CC(C)CCCCCCC(=O)O MCULE-7144406547 [1,0,0,0,0,0|1,0,1]=3 13 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [1,0,0,0,0,0|1,0,1]=3 14 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5163840640 [1,0,0,0,0,0|2,0,1]=4 15 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5248234243 [1,0,0,0,0,0|2,0,1]=4 16 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [1,0,0,0,0,0|2,0,1]=4 17 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [1,0,0,0,0,0|2,0,1]=4 18 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [1,0,0,0,0,0|2,0,1]=4 19 B11R0.111 CCC(=O)CCCCCC(=O)O MCULE-8603570043 [1,0,0,0,0,0|0,0,0]=1 20 B11R0.111 CCC(C)CCCCCC(=O)O MCULE-5195758876 [1,0,0,0,0,0|1,0,1]=3 21 B11R0.111 COC(=O)CCCCCC(=O)O MCULE-7307151830 [1,0,0,0,0,0|1,0,0]=2 22 B11R0.111 COC(=O)CCCCCN(=O)=O MCULE-7934969106 [1,0,0,0,0,0|2,0,1]=4 23 B13R0.51 CC(N)C(=O)NCC(=O)NCC(=O)O MCULE-4006151236 [0,1,0,0,0,0|2,0,1]=4 24 B13R0.51 C[C@@H](N)C(=O)NCC(=O)NCC(=O)O MCULE-4489795970 [0,1,0,0,0,0|2,0,1]=4 25 B13R0.51 C[C@H](N)C(=O)NCC(=O)NCC(=O)O MCULE-9206269639 [0,1,0,0,0,0|2,0,1]=4 26 B13R0.1399 CC(C)(C)C(=O)CCCCCC(=O)O MCULE-9929666632 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.350 C=C(C)C(=O)N1CCCC1C(=O)O MCULE-6983400916 [0,0,0,1,0,0|2,0,1]=4 28 B13R1.350 C=C(C)C(=O)N1CCC[C@@H]1C(=O)O MCULE-8435972095 [0,0,0,1,0,0|2,0,1]=4 29 B13R1.350 C=C(C)C(=O)N1CCC[C@H]1C(=O)O MCULE-7848246910 [0,0,0,1,0,0|2,0,1]=4 30 B13R1.350 CC(=O)C(=O)N1CCC[C@H]1C(=O)O MCULE-7645182791 [0,0,0,1,0,0|2,0,1]=4 31 B13R1.350 CC(C)C(=O)N1CCCC1C(=O)O MCULE-8946880186 [0,0,0,1,0,0|2,0,0]=3 32 B13R1.350 CC(C)C(=O)N1CCC[C@H]1C(=O)O MCULE-3909842403 [0,0,0,1,0,0|2,0,0]=3 33 B13R1.350 CC(N)C(=O)N1CCCC1C(=O)O MCULE-3320527900 [0,0,0,1,0,0|1,0,0]=2 34 B13R1.350 CN(C)C(=O)N1CCC[C@@H]1C(=O)O MCULE-7190130668 [0,0,0,1,0,0|3,0,0]=4 35 B13R1.350 CN(C)C(=O)N1CCC[C@H]1C(=O)O MCULE-4495739600 [0,0,0,1,0,0|3,0,0]=4 36 B13R1.350 C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-1260491310 [0,0,0,1,0,0|1,0,0]=2 37 B13R1.350 C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-1932415487 [0,0,0,1,0,0|1,0,0]=2 38 B13R1.350 C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-3635102042 [0,0,0,1,0,0|1,0,0]=2 39 B13R1.350 C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-3869707406 [0,0,0,1,0,0|1,0,0]=2 40 B13R1.350 C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N MCULE-6677085199 [0,0,0,1,0,0|2,0,0]=3 41 B13R1.350 C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N MCULE-7336655001 [0,0,0,1,0,0|2,0,0]=3 42 B13R1.350 C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N MCULE-8731895910 [0,0,0,1,0,0|2,0,0]=3 43 B13R1.350 C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N MCULE-9430488430 [0,0,0,1,0,0|2,0,0]=3 44 B13R1.350 C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-4588457895 [0,0,0,1,0,0|1,0,0]=2 45 B13R1.350 C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-9071577504 [0,0,0,1,0,0|1,0,0]=2 46 B13R1.511 CN1N=C(CCC1=O)CCC(=O)O MCULE-8979582253 [0,0,0,1,0,0|1,0,2]=4 47 B13R1.587 CC(C)N1CCCC(C1)CC(=O)O MCULE-8598520570 [0,0,0,1,0,0|3,0,0]=4 48 B13R1.1080 O=C(O)CCCCCC(=O)C1CC1 MCULE-9232306834 [0,0,0,1,0,0|1,0,0]=2 49 B13R1.3790 CC1(C(=O)NCCN1CC(=O)O)C MCULE-2153000167 [0,0,0,1,0,0|3,0,0]=4 50 B13R1.3790 CC1(C(=O)NCCN1CC(=O)O)C MCULE-8950397103 [0,0,0,1,0,0|3,0,0]=4 51 B11R0.29 CC(C)C(=O)CCCCC(=O)O MCULE-8172997568 [0,0,0,0,1,0|1,0,0]=2 52 B11R0.29 CC(C)C(=O)NCCCC(=O)O MCULE-8857462194 [0,0,0,0,1,0|2,0,0]=3 53 B11R0.29 CN(C)C(=O)CCCCC(=O)O MCULE-8660311284 [0,0,0,0,1,0|2,0,0]=3 54 B11R0.29 CN(C)C(=O)NCCCC(=O)O MCULE-1171738176 [0,0,0,0,1,0|3,0,0]=4 55 B11R0.29 O=C(O)CCCCC(=O)C(=O)O MCULE-2399783714 [0,0,0,0,1,0|2,0,1]=4 56 B13R0.180 CC(C)C(=O)CCCCCCC(=O)O MCULE-7886858957 [0,0,0,0,0,1|1,0,0]=2 57 B10R0.4 CC(C)CCCCCCC=O MCULE-8509627472 [2,0,0,0,0,0|1,0,1]=4 58 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [2,0,0,0,0,0|1,0,1]=4 59 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [2,0,0,0,0,0|1,0,1]=4 60 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [2,0,0,0,0,0|1,0,1]=4 61 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [2,0,0,0,0,0|0,0,1]=3 62 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [2,0,0,0,0,0|0,0,2]=4 63 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [2,0,0,0,0,0|1,0,1]=4 64 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [2,0,0,0,0,0|1,0,1]=4 65 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [2,0,0,0,0,0|1,0,1]=4 66 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [2,0,0,0,0,0|1,0,1]=4 67 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [2,0,0,0,0,0|1,0,0]=3 68 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [2,0,0,0,0,0|2,0,0]=4 69 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [2,0,0,0,0,0|1,0,1]=4 70 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [2,0,0,0,0,0|0,0,1]=3 71 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [2,0,0,0,0,0|0,0,1]=3 72 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [2,0,0,0,0,0|1,0,1]=4 73 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [2,0,0,0,0,0|1,0,1]=4 74 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [2,0,0,0,0,0|1,0,1]=4 75 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [2,0,0,0,0,0|1,0,1]=4 76 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [2,0,0,0,0,0|1,0,1]=4 77 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [2,0,0,0,0,0|1,0,1]=4 78 B10R0.74 CCCCCCCC(=O)CC MCULE-3418685291 [2,0,0,0,0,0|1,0,1]=4 79 B10R0.74 COC(=O)CCCCCC=O MCULE-1071696685 [2,0,0,0,0,0|1,0,0]=3 80 B10R0.74 COC(=O)CCCCCCO MCULE-1234987175 [2,0,0,0,0,0|1,0,1]=4 81 B10R0.97 C=C(Br)CCCCCC(=O)O MCULE-1129581582 [2,0,0,0,0,0|1,0,1]=4 82 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [2,0,0,0,0,0|1,0,0]=3 83 B10R0.97 C=C(Cl)CCCCCC(=O)O MCULE-6548751857 [2,0,0,0,0,0|1,0,1]=4 84 B10R0.97 CC(=CCCCCC(=O)O)C MCULE-6679290438 [2,0,0,0,0,0|1,0,1]=4 85 B10R0.97 CC(=O)CCCCCC(=O)Cl MCULE-9699420066 [2,0,0,0,0,0|1,0,0]=3 86 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [2,0,0,0,0,0|0,0,0]=2 87 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [2,0,0,0,0,0|1,0,0]=3 88 B10R0.97 CC(=O)NCCOCC(=O)O MCULE-8156973678 [2,0,0,0,0,0|2,0,0]=4 89 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [2,0,0,0,0,0|2,0,0]=4 90 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [2,0,0,0,0,0|1,0,1]=4 91 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [2,0,0,0,0,0|0,0,2]=4 92 B10R0.97 CN(C)CCCCCC(=O)O MCULE-1002014230 [2,0,0,0,0,0|2,0,0]=4 93 B10R0.97 CN(C)CCCCCC(=O)O MCULE-2670396647 [2,0,0,0,0,0|2,0,0]=4 94 B10R0.97 N=C(N)NCCCCC(=O)O MCULE-2807872503 [2,0,0,0,0,0|2,0,0]=4 95 B10R0.97 N=C(N)SCCCCC(=O)O MCULE-6602460811 [2,0,0,0,0,0|2,0,0]=4 96 B10R0.97 NC(=O)CCSCCC(=O)N MCULE-6169485438 [2,0,0,0,0,0|2,0,0]=4 97 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [2,0,0,0,0,0|1,0,0]=3 98 B10R0.97 NC(=[NH2+])SCCCCC(=O)O MCULE-4252972328 [2,0,0,0,0,0|2,0,0]=4 99 B10R0.97 O=C(Cl)CCCCCC(=O)Cl MCULE-6184277171 [2,0,0,0,0,0|2,0,0]=4 100 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [2,0,0,0,0,0|1,0,0]=3 101 B10R0.97 O=C(O)CCCCCN(=O)=O MCULE-4861594242 [2,0,0,0,0,0|2,0,0]=4 102 B10R0.97 O=C(O)CCNCCC(=O)O MCULE-9497656945 [2,0,0,0,0,0|2,0,0]=4 103 B10R0.97 O=C(O)CCOCCC(=O)O MCULE-3213537394 [2,0,0,0,0,0|2,0,0]=4 104 B10R0.97 O=C(O)CCSCCC(=O)O MCULE-1300073378 [2,0,0,0,0,0|2,0,0]=4 105 B12R0.44 CC(C)CCCC(C)CCC(=O)O MCULE-4060617838 [1,1,0,0,0,0|1,0,1]=4 106 B12R0.137 CC(C)(C)NCCCCCC(=O)O MCULE-3035916967 [1,1,0,0,0,0|2,0,0]=4 107 B12R0.184 CCC(C)CCCCCCC(=O)O MCULE-2900681210 [1,1,0,0,0,0|1,0,1]=4 108 B12R0.184 COC(=O)CCCCCCC(C)C MCULE-3897074156 [1,1,0,0,0,0|1,0,1]=4 109 B12R0.183 COC(=O)CCCCCC(=O)OC MCULE-4367657579 [1,1,0,0,0,0|1,0,0]=3 110 B12R0.183 COC(=O)CCNCCC(=O)OC MCULE-8864984762 [1,1,0,0,0,0|2,0,0]=4 111 B12R0.183 COC(=O)CCNCCC(=O)OC MCULE-9314655557 [1,1,0,0,0,0|2,0,0]=4 112 B12R0.183 COC(=O)CCSCCC(=O)OC MCULE-8773115535 [1,1,0,0,0,0|2,0,0]=4 113 B12R0.183 NNC(=O)CCCCCC(=O)NN MCULE-1879872174 [1,1,0,0,0,0|2,0,0]=4 114 B12R0.210 CCS(=O)(=O)CCCCCC(=O)O MCULE-9652550148 [1,1,0,0,0,0|1,0,0]=3 115 B12R0.277 C=C(Br)CCCCCC(=O)OCC MCULE-3459873573 [1,1,0,0,0,0|2,0,0]=4 116 B12R0.277 C=C(C)CCCCCC(=O)OCC MCULE-8886396978 [1,1,0,0,0,0|2,0,0]=4 117 B12R0.277 C=C(Cl)CCCCCC(=O)OCC MCULE-4890209608 [1,1,0,0,0,0|2,0,0]=4 118 B12R0.277 CCCC(=O)CCCCCC(=O)O MCULE-2592304646 [1,1,0,0,0,0|0,0,0]=2 119 B12R0.277 CCCC(C)CCCCCC(=O)O MCULE-8094468025 [1,1,0,0,0,0|1,0,1]=4 120 B12R0.277 CCCC(N)CCCCCC(=O)O MCULE-6921348147 [1,1,0,0,0,0|1,0,1]=4 121 B12R0.277 CCOC(=O)CCCCCC(=O)C MCULE-9869285908 [1,1,0,0,0,0|1,0,0]=3 122 B12R0.277 CCOC(=O)CCCCCC(=O)Cl MCULE-5720452434 [1,1,0,0,0,0|1,0,0]=3 123 B12R0.277 CCOC(=O)CCCCCC(=O)O MCULE-3615439341 [1,1,0,0,0,0|0,0,0]=2 124 B12R0.277 CCOC(=O)CCCCCN(=O)=O MCULE-5719285068 [1,1,0,0,0,0|1,0,1]=4 125 B12R0.277 CCOC(=O)CCCCSC(=O)C MCULE-6440149181 [1,1,0,0,0,0|2,0,0]=4 126 B12R0.269 CC(C)(C)C(=O)CCCCC(=O)O MCULE-4418670403 [0,1,0,0,1,0|1,0,0]=3 127 B12R0.269 CC(C)(C)C(=O)NCCCC(=O)O MCULE-4742309462 [0,1,0,0,1,0|2,0,0]=4 128 B14R0.2683 CC(C)(C)OC(=O)CCCCCC(=O)O MCULE-9398008117 [0,1,0,0,0,1|1,0,0]=3 129 B14R0.2683 CC(C)(C)OC(=O)CCOCCC(=O)O MCULE-2133797270 [0,1,0,0,0,1|2,0,0]=4 130 B14R0.2683 CC(C)(C)OC(=O)NCCCCC(=O)O MCULE-8952514611 [0,1,0,0,0,1|2,0,0]=4 131 B14R0.71 CC(C)(C)C(=O)CCCCCCC(=O)O MCULE-3935675049 [0,1,0,0,0,1|1,0,0]=3 132 B14R0.71 O=C(O)CCCCCNC(=O)C(F)(F)F MCULE-7778247433 [0,1,0,0,0,1|2,0,0]=4 133 B14R0.131 NNC(=O)C(=O)NCCCCCC(=O)O MCULE-5648602716 [0,1,0,0,0,1|1,0,1]=4 134 B14R0.405 CC(O)C(=O)NCCCC[C@H](N)C(=O)O MCULE-4608201262 [0,1,0,0,0,1|1,0,0]=3 135 B14R0.35 CCOC(=O)CCCCCC(=O)C(C)C MCULE-7257188022 [0,2,0,0,0,0|1,0,0]=3 136 B14R0.308 COC(=O)CCCCCC(=O)C(F)(F)F MCULE-8129090429 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.226 NC1CCCC(C1)CCC(=O)O MCULE-1427868111 [1,0,0,1,0,0|0,0,1]=3 138 B12R1.261 CC(C)N1CCCCC1C(=O)O MCULE-1732607027 [1,0,0,1,0,0|2,0,0]=4 139 B12R1.261 CC(C)N1CCCCC1C(=O)O MCULE-7684924530 [1,0,0,1,0,0|2,0,0]=4 140 B12R1.261 CC(C)N1CCCC[C@H]1C(=O)O MCULE-7336169680 [1,0,0,1,0,0|2,0,0]=4 141 B12R1.261 CC(C)N1CCCC[C@H]1C(=O)O MCULE-8875686576 [1,0,0,1,0,0|2,0,0]=4 142 B12R1.391 CC1(CCCCC1CC(=O)O)C MCULE-6771932074 [1,0,0,1,0,0|1,0,1]=4 143 B12R1.124 CC(C)C(=O)C1CCCCC1=O MCULE-3239462162 [1,0,0,1,0,0|1,0,0]=3 144 B12R1.124 O=C1CCCCC1C(=O)C(F)F MCULE-9081944209 [1,0,0,1,0,0|2,0,0]=4 145 B12R1.145 CN(C)C(=O)CC1CCCC1=O MCULE-9711219096 [1,0,0,1,0,0|2,0,0]=4 146 B12R1.264 CC(N)C(=O)NCC1CCCO1 MCULE-5219848117 [1,0,0,1,0,0|1,0,1]=4 147 B12R1.264 CC(N)C(=O)NCC1CCCO1 MCULE-9378763947 [1,0,0,1,0,0|1,0,1]=4 148 B12R1.21 CC(=O)NCC1CCC(=O)CC1 MCULE-9044781376 [1,0,0,1,0,0|2,0,0]=4 149 B12R1.21 CN1CCC(CC1)CCC(=O)O MCULE-2352268379 [1,0,0,1,0,0|2,0,0]=4 150 B12R1.21 CN1CCC(CC1)CCC(=O)O MCULE-5230181915 [1,0,0,1,0,0|2,0,0]=4 151 B12R1.21 C[C@H]1CC[C@@H](CC1)CCC(=O)O MCULE-7082492863 [1,0,0,1,0,0|1,0,1]=4 152 B12R1.21 NC1CCC(CC1)CCC(=O)O MCULE-3578215541 [1,0,0,1,0,0|1,0,1]=4 153 B12R1.21 O=C(O)CCC1CCC(=O)CC1 MCULE-5805639266 [1,0,0,1,0,0|0,0,0]=2 154 B12R1.21 O=C(O)CCC1CCC(=O)NC1 MCULE-4463958596 [1,0,0,1,0,0|1,0,0]=3 155 B12R1.21 O=C(O)CCN1CCC(=O)CC1 MCULE-3345805432 [1,0,0,1,0,0|1,0,0]=3 156 B12R1.21 O=C(O)CCN1CCS(=O)CC1 MCULE-2459585373 [1,0,0,1,0,0|2,0,0]=4 157 B12R1.21 O=C(O)CNC1CCC(=O)CC1 MCULE-8506813160 [1,0,0,1,0,0|1,0,0]=3 158 B12R1.50 COC(=O)CC1CCCC(=O)C1 MCULE-1248399119 [1,0,0,1,0,0|2,0,0]=4 159 B12R1.59 CCC1CCC(C1)CCC(=O)O MCULE-7730890965 [1,0,0,1,0,0|1,0,1]=4 160 B12R1.368 CCC(=O)N1CCCC1C(=O)O MCULE-9954111494 [1,0,0,1,0,0|1,0,0]=3 161 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O MCULE-1913297626 [1,0,0,1,0,0|1,0,0]=3 162 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O MCULE-2045476528 [1,0,0,1,0,0|1,0,0]=3 163 B12R1.368 COC(=O)C1CCCC1C(=O)O MCULE-9581431032 [1,0,0,1,0,0|1,0,0]=3 164 B12R1.368 COC(=O)C1CCOC1C(=O)O MCULE-9344196403 [1,0,0,1,0,0|2,0,0]=4 165 B12R1.368 COC(=O)N1CCCC1C(=O)O MCULE-6437652218 [1,0,0,1,0,0|2,0,0]=4 166 B12R1.368 COC(=O)N1CCC[C@H]1C(=O)O MCULE-6677449749 [1,0,0,1,0,0|2,0,0]=4 167 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)O MCULE-3708284379 [1,0,0,1,0,0|1,0,0]=3 168 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)O MCULE-7207251404 [1,0,0,1,0,0|1,0,0]=3 169 B12R1.368 COC(=O)[C@H]1CCC[C@@H]1C(=O)O MCULE-2395296422 [1,0,0,1,0,0|1,0,0]=3 170 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-1837515410 [1,0,0,1,0,0|1,0,0]=3 171 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-4611068546 [1,0,0,1,0,0|1,0,0]=3 172 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-7157008551 [1,0,0,1,0,0|1,0,0]=3 173 B12R1.368 NCC(=O)N1CCCC1C(=O)O MCULE-9336761803 [1,0,0,1,0,0|1,0,0]=3 174 B12R1.368 NCC(=O)N1CCC[C@@H]1C(=O)O MCULE-1248159536 [1,0,0,1,0,0|1,0,0]=3 175 B12R1.368 NCC(=O)N1CCC[C@@H]1C(=O)O MCULE-9799276065 [1,0,0,1,0,0|1,0,0]=3 176 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O MCULE-7301156127 [1,0,0,1,0,0|1,0,0]=3 177 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O MCULE-8430609992 [1,0,0,1,0,0|1,0,0]=3 178 B12R1.368 O=C(O)C1CCCN1C(=O)CCl MCULE-1905760826 [1,0,0,1,0,0|2,0,0]=4 179 B12R1.368 O=C(O)[C@@H]1CCCN1C(=O)CCl MCULE-6598651648 [1,0,0,1,0,0|2,0,0]=4 180 B12R1.368 O=C(O)[C@@H]1CCCN1C(=O)CCl MCULE-9375937467 [1,0,0,1,0,0|2,0,0]=4 181 B12R1.438 CCN1CCCC(C1)CC(=O)O MCULE-7610748383 [1,0,0,1,0,0|2,0,0]=4 182 B12R1.1657 COC(=O)C1CCCCC(=O)C1 MCULE-4513192027 [1,0,0,1,0,0|2,0,0]=4 183 B12R1.225 C[C@H](N)C(=O)N1CCCC(=O)C1 MCULE-2316338141 [0,0,0,1,1,0|2,0,0]=4 184 B12R1.898 C=C1CCC(C1(C)C)CC(=O)O MCULE-7281525757 [0,0,0,1,1,0|2,0,0]=4 185 B12R1.1356 O=C(O)CCCCC(=O)C1CC1 MCULE-3621765531 [0,0,0,1,1,0|1,0,0]=3 186 B12R1.1356 O=C(O)CCCNC(=O)C1CC1 MCULE-4578404941 [0,0,0,1,1,0|2,0,0]=4 187 B14R1.4280 CC(C)CC(=O)N1CCCC1C(=O)O MCULE-1202615229 [0,0,0,1,0,1|2,0,0]=4 188 B14R1.4280 CC(C)NC(=O)N1CCC[C@H]1C(=O)O MCULE-7993118037 [0,0,0,1,0,1|2,0,0]=4 189 B14R1.429 CC(C)C(=O)N1CCCCC1C(=O)O MCULE-6452535471 [0,0,0,1,0,1|1,0,0]=3 190 B14R1.429 CC(C)C(=O)N1CCCC[C@@H]1C(=O)O MCULE-5736338162 [0,0,0,1,0,1|1,0,0]=3 191 B14R1.429 CC(N)C(=O)N1CCCCC1C(=O)N MCULE-6078816932 [0,0,0,1,0,1|1,0,0]=3 192 B14R1.429 CN(C)C(=O)N1CCCCC1C(=O)O MCULE-6812025742 [0,0,0,1,0,1|2,0,0]=4 193 B14R1.6452 O=C(O)CCCCCCC(=O)C1CC1 MCULE-6858805688 [0,0,0,1,0,1|1,0,0]=3 194 B14R1.6420 CC(C)C(=O)N1CCCC(C1)C(=O)O MCULE-6629287737 [0,1,0,1,0,0|2,0,0]=4 195 B14R1.13252 NC1CSC(C1N)CCCCC(=O)O MCULE-1614349861 [0,1,0,1,0,0|1,0,1]=4 196 B14R1.13252 NC1CSC(C1N)CCCCC(=O)O MCULE-6974870952 [0,1,0,1,0,0|1,0,1]=4 197 B14R1.13252 N[C@@H]1CS[C@@H]([C@@H]1N)CCCCC(=O)O MCULE-7333603139 [0,1,0,1,0,0|1,0,1]=4 198 B14R1.1004 CC(CS)C(=O)N1CCCC1C(=O)O MCULE-7869285453 [0,1,0,1,0,0|2,0,0]=4 199 B14R1.1004 C[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O MCULE-5478792618 [0,1,0,1,0,0|2,0,0]=4 200 B14R1.1004 C[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O MCULE-7145327122 [0,1,0,1,0,0|2,0,0]=4 201 B14R1.1004 C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O MCULE-7050903915 [0,1,0,1,0,0|2,0,0]=4 202 B14R1.1004 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O MCULE-1716939647 [0,1,0,1,0,0|2,0,0]=4 203 B14R1.1004 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O MCULE-6044074518 [0,1,0,1,0,0|2,0,0]=4 204 B14R1.1004 N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O MCULE-4335014727 [0,1,0,1,0,0|1,0,0]=3 205 B14R1.1004 N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O MCULE-8394017191 [0,1,0,1,0,0|1,0,0]=3 206 B14R1.6403 O=C(O)CCCCCC(=O)C1CCC1 MCULE-8392329452 [0,1,0,1,0,0|1,0,0]=3 207 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N MCULE-4094187918 [0,1,0,1,0,0|1,0,0]=3 208 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N MCULE-6967500981 [0,1,0,1,0,0|1,0,0]=3 209 B14R1.6442 CC(C)(C)C(=O)N1CCCC1C(=O)O MCULE-2267044048 [0,1,0,1,0,0|2,0,0]=4 210 B14R2.9562 O=C(O)C1CCCN1C(=O)C2CC2 MCULE-8414901775 [0,0,0,2,0,0|2,0,0]=4 211 B14R2.9562 O=C(O)[C@@H]1CCCN1C(=O)C2CC2 MCULE-4374854939 [0,0,0,2,0,0|2,0,0]=4 212 B14R2.9562 O=C(O)[C@@H]1CCCN1C(=O)C2CC2 MCULE-9006191305 [0,0,0,2,0,0|2,0,0]=4 213 B10R0.55 CCC(=O)CCCCC(=O)O MCULE-8497826453 [1,0,0,0,1,0|0,0,0]=2 214 B10R0.55 CCC(=O)NCCCC(=O)O MCULE-4434353680 [1,0,0,0,1,0|1,0,0]=3 215 B10R0.55 CCC(C)CCCCC(=O)O MCULE-5735580085 [1,0,0,0,1,0|1,0,1]=4 216 B10R0.55 CNC(=O)CCCCC(=O)O MCULE-3369426299 [1,0,0,0,1,0|1,0,0]=3 217 B10R0.55 COC(=O)CCCCC(=O)C MCULE-8144817566 [1,0,0,0,1,0|2,0,0]=4 218 B10R0.55 COC(=O)CCCCC(=O)Cl MCULE-8505175389 [1,0,0,0,1,0|2,0,0]=4 219 B10R0.55 COC(=O)CCCCC(=O)O MCULE-2104484744 [1,0,0,0,1,0|1,0,0]=3 220 B10R0.55 COC(=O)NCCCC(=O)O MCULE-4986877538 [1,0,0,0,1,0|2,0,0]=4 221 B10R0.55 NCC(=O)NCCCC(=O)O MCULE-6161493754 [1,0,0,0,1,0|1,0,0]=3 222 B10R0.55 O=C(O)CCCNC(=O)CCl MCULE-4514491154 [1,0,0,0,1,0|2,0,0]=4 223 B10R0.98 CC(C)C(=O)CCCC(=O)O MCULE-1233637144 [0,0,0,0,2,0|1,0,0]=3 224 B10R0.98 CC(C)C(=O)NCCC(=O)O MCULE-1444181499 [0,0,0,0,2,0|2,0,0]=4 225 B10R0.98 CN(C)C(=O)CCCC(=O)O MCULE-4460007693 [0,0,0,0,2,0|2,0,0]=4 226 B10R0.98 C[C@H](N)C(=O)NCCC(=O)O MCULE-5592804189 [0,0,0,0,2,0|1,0,0]=3 227 B12R0.268 CC(C)CCCCCCCC(=O)O MCULE-5820446421 [1,0,0,0,0,1|1,0,1]=4 228 B12R0.268 CC(C)SCCCCCCC(=O)O MCULE-2523005761 [1,0,0,0,0,1|1,0,1]=4 229 B12R0.268 CC(O)CCCCCCCC(=O)O MCULE-2753582455 [1,0,0,0,0,1|1,0,1]=4 230 B14R0.427 CC(=O)CC(=O)NCCCCCC(=O)O MCULE-3666865777 [0,0,0,0,0,2|1,0,1]=4