0 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [0,0,0,0,0,0|1,0,1]=2 3 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [0,0,0,0,0,0|1,0,1]=2 4 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.47 C/C=C/SC[C@H](N)C(=O)O MCULE-2540874981 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.47 C=CCCCC(C)C(=O)C MCULE-3594332716 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [0,0,0,0,0,0|1,0,1]=2 11 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [0,0,0,0,0,0|1,0,1]=2 12 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [0,0,0,0,0,0|1,0,1]=2 13 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [0,0,0,0,0,0|1,0,1]=2 14 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [0,0,0,0,0,0|1,0,1]=2 15 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [0,0,0,0,0,0|1,0,1]=2 16 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [0,0,0,0,0,0|1,0,1]=2 17 B9R0.47 C=CCCNC(C)C(=O)O MCULE-2164423879 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.47 C=CCCOC(C)C(=O)O MCULE-4921869592 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [0,0,0,0,0,0|2,0,1]=3 20 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [0,0,0,0,0,0|2,0,1]=3 23 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [0,0,0,0,0,0|2,0,1]=3 24 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [0,0,0,0,0,0|2,0,1]=3 25 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [0,0,0,0,0,0|2,0,1]=3 27 B9R0.47 CC(CSCCN)C(=O)O MCULE-8181129041 [0,0,0,0,0,0|3,0,0]=3 28 B9R0.47 CC(CSCCN)C(=O)O MCULE-9927031234 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.47 CC(NCCC#N)C(=O)O MCULE-7314407236 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.47 CC=CSC[C@H](N)C(=O)O MCULE-2840170360 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.47 CCCC=CC(O)C(=O)O MCULE-9096490162 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.47 CCCCCC(=O)C(=O)C MCULE-3171324169 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.47 CCCCCC(=O)C(=O)O MCULE-2334480456 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.47 CCCCCC(C)C(=O)C MCULE-8141962187 [0,0,0,0,0,0|3,0,0]=3 35 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [0,0,0,0,0,0|2,0,0]=2 36 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [0,0,0,0,0,0|1,0,0]=1 37 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [0,0,0,0,0,0|1,0,0]=1 38 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [0,0,0,0,0,0|2,0,0]=2 39 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [0,0,0,0,0,0|1,0,0]=1 40 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [0,0,0,0,0,0|1,0,0]=1 41 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [0,0,0,0,0,0|1,0,0]=1 42 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [0,0,0,0,0,0|1,0,0]=1 43 B9R0.47 CCCCOC(C)C(=O)O MCULE-2711768240 [0,0,0,0,0,0|3,0,0]=3 44 B9R0.47 CCCCSC(C)C(=O)O MCULE-1538375330 [0,0,0,0,0,0|3,0,0]=3 45 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [0,0,0,0,0,0|2,0,0]=2 46 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [0,0,0,0,0,0|2,0,0]=2 47 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [0,0,0,0,0,0|2,0,0]=2 48 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [0,0,0,0,0,0|2,0,0]=2 49 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [0,0,0,0,0,0|2,0,0]=2 50 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [0,0,0,0,0,0|2,0,0]=2 51 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [0,0,0,0,0,0|2,0,0]=2 52 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [0,0,0,0,0,0|2,0,0]=2 53 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [0,0,0,0,0,0|2,0,0]=2 54 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [0,0,0,0,0,0|3,0,0]=3 55 B9R0.47 COCCNC(C)C(=O)O MCULE-1762428923 [0,0,0,0,0,0|4,0,0]=4 56 B9R0.47 COCCNC(C)C(=O)O MCULE-8532368084 [0,0,0,0,0,0|4,0,0]=4 57 B9R0.47 COCCOC(C)C(=O)O MCULE-5271320344 [0,0,0,0,0,0|4,0,0]=4 58 B9R0.47 CSCCOC(C)C(=O)O MCULE-2180057271 [0,0,0,0,0,0|4,0,0]=4 59 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [0,0,0,0,0,0|3,0,0]=3 60 B9R0.47 N#N=NCCC(N)C(=O)O MCULE-3306935085 [0,0,0,0,0,0|3,0,0]=3 61 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-5611888169 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-6448566029 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [0,0,0,0,0,0|0,0,0]=0 64 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [0,0,0,0,0,0|1,0,0]=1 65 B9R0.47 NCC#CCC(N)C(=O)O MCULE-6095484409 [0,0,0,0,0,0|1,0,2]=3 66 B9R0.47 NCC#CCC(N)C(=O)O MCULE-8713805302 [0,0,0,0,0,0|1,0,2]=3 67 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [0,0,0,0,0,0|1,0,2]=3 68 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [0,0,0,0,0,0|2,0,0]=2 69 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [0,0,0,0,0,0|2,0,0]=2 70 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [0,0,0,0,0,0|1,0,0]=1 71 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [0,0,0,0,0,0|1,0,0]=1 72 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [0,0,0,0,0,0|1,0,0]=1 73 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [0,0,0,0,0,0|1,0,0]=1 74 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [0,0,0,0,0,0|1,0,0]=1 75 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [0,0,0,0,0,0|1,0,0]=1 76 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [0,0,0,0,0,0|1,0,0]=1 77 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [0,0,0,0,0,0|1,0,0]=1 78 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [0,0,0,0,0,0|1,0,0]=1 79 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [0,0,0,0,0,0|2,0,0]=2 80 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [0,0,0,0,0,0|2,0,0]=2 81 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [0,0,0,0,0,0|2,0,0]=2 82 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [0,0,0,0,0,0|2,0,0]=2 83 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [0,0,0,0,0,0|1,0,0]=1 84 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [0,0,0,0,0,0|1,0,0]=1 85 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [0,0,0,0,0,0|1,0,0]=1 86 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [0,0,0,0,0,0|1,0,0]=1 87 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [0,0,0,0,0,0|1,0,0]=1 88 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [0,0,0,0,0,0|1,0,0]=1 89 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [0,0,0,0,0,0|1,0,0]=1 90 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [0,0,0,0,0,0|1,0,0]=1 91 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [0,0,0,0,0,0|1,0,0]=1 92 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [0,0,0,0,0,0|1,0,0]=1 93 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [0,0,0,0,0,0|1,0,0]=1 94 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [0,0,0,0,0,0|1,0,1]=2 95 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [0,0,0,0,0,0|2,0,0]=2 96 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [0,0,0,0,0,0|2,0,0]=2 97 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [0,0,0,0,0,0|2,0,0]=2 98 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [0,0,0,0,0,0|2,0,0]=2 99 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [0,0,0,0,0,0|2,0,0]=2 100 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [0,0,0,0,0,0|2,0,0]=2 101 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [0,0,0,0,0,0|2,0,0]=2 102 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [0,0,0,0,0,0|2,0,0]=2 103 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [0,0,0,0,0,0|2,0,0]=2 104 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [0,0,0,0,0,0|2,0,0]=2 105 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [0,0,0,0,0,0|2,0,0]=2 106 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [0,0,0,0,0,0|2,0,0]=2 107 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [0,0,0,0,0,0|2,0,0]=2 108 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [0,0,0,0,0,0|2,0,0]=2 109 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [0,0,0,0,0,0|0,0,0]=0 110 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [0,0,0,0,0,0|0,0,0]=0 111 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [0,0,0,0,0,0|1,0,0]=1 112 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [0,0,0,0,0,0|1,0,0]=1 113 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [0,0,0,0,0,0|1,0,0]=1 114 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [0,0,0,0,0,0|1,0,0]=1 115 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [0,0,0,0,0,0|2,0,1]=3 116 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [0,0,0,0,0,0|1,0,0]=1 117 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [0,0,0,0,0,0|1,0,0]=1 118 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [0,0,0,0,0,0|2,0,0]=2 119 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [0,0,0,0,0,0|1,0,0]=1 120 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [0,0,0,0,0,0|1,0,0]=1 121 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [0,0,0,0,0,0|2,0,0]=2 122 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [0,0,0,0,0,0|2,0,1]=3 123 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O MCULE-3468296516 [0,0,0,0,0,0|3,0,0]=3 124 B9R0.47 [N-]=[N+]=NCC[C@@H]([NH3+])C(=O)O MCULE-9960871536 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-3922595405 [0,0,0,0,0,0|3,0,0]=3 126 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-4625957807 [0,0,0,0,0,0|3,0,0]=3 127 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-5294285117 [0,0,0,0,0,0|3,0,0]=3 128 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-6236286481 [0,0,0,0,0,0|3,0,0]=3 129 B9R0.47 [N-]=[N+]=NCC[C@H](O)C(=O)O MCULE-6077907887 [0,0,0,0,0,0|4,0,0]=4 130 B9R0.47 [N-]=[N+]=NCC[C@H]([NH3+])C(=O)O MCULE-9804764124 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.47 [NH3+][C@@H](CSCCO)C(=O)[O-] MCULE-6668183133 [0,0,0,0,0,0|1,0,2]=3 132 B8R0.6 C#CCCC[C@@H](N)CO MCULE-2559437973 [1,0,0,0,0,0|1,0,2]=4 133 B8R0.6 C#CCCC[C@@H](N)CO MCULE-9800548833 [1,0,0,0,0,0|1,0,2]=4 134 B8R0.6 C#CCCC[C@H](N)CO MCULE-1789980212 [1,0,0,0,0,0|1,0,2]=4 135 B8R0.6 C#CCCC[C@H](N)CO MCULE-7070205347 [1,0,0,0,0,0|1,0,2]=4 136 B8R0.6 C=CC(O)CCCCC MCULE-3974016765 [1,0,0,0,0,0|3,0,0]=4 137 B8R0.6 CCC(C)CCCCO MCULE-9107164434 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.6 CCCCCC(C)CO MCULE-4884757032 [1,0,0,0,0,0|2,0,1]=4 139 B8R0.6 CCCCCC(O)CO MCULE-4124719814 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.6 CC[C@H](C)CCCCO MCULE-2674922341 [1,0,0,0,0,0|2,0,1]=4 141 B8R0.6 CC[C@H](C)CCCCO MCULE-7482991055 [1,0,0,0,0,0|2,0,1]=4 142 B8R0.6 N#CC(O)CCCCO MCULE-3554580179 [1,0,0,0,0,0|2,0,1]=4 143 B8R0.6 NCCCCC(N)CO MCULE-5938273372 [1,0,0,0,0,0|1,0,1]=3 144 B8R0.6 NCCCCC(N)CO MCULE-9464237285 [1,0,0,0,0,0|1,0,1]=3 145 B8R0.6 NCCCCC(N)CS MCULE-1078097453 [1,0,0,0,0,0|1,1,1]=4 146 B8R0.6 NCCCC[C@H](N)CO MCULE-4735749396 [1,0,0,0,0,0|1,0,1]=3 147 B8R0.6 NCCCC[C@H](N)CO MCULE-6997150748 [1,0,0,0,0,0|1,0,1]=3 148 B8R0.6 NCCCC[C@H](N)CO MCULE-7936699760 [1,0,0,0,0,0|1,0,1]=3 149 B8R0.6 NCCCC[C@H](N)CO MCULE-9135547877 [1,0,0,0,0,0|1,0,1]=3 150 B8R0.6 OCCCCC(O)CO MCULE-5891501842 [1,0,0,0,0,0|1,0,1]=3 151 B8R0.6 OCCNCC(O)CO MCULE-1632492020 [1,0,0,0,0,0|2,0,1]=4 152 B8R0.6 OCCOCC(O)CO MCULE-4768071463 [1,0,0,0,0,0|2,0,1]=4 153 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [1,0,0,0,0,0|1,0,1]=3 154 B8R0.7 C#CCCOCC(=O)O MCULE-5200842540 [1,0,0,0,0,0|2,0,1]=4 155 B8R0.7 C#CCOCCC(=O)O MCULE-9710662304 [1,0,0,0,0,0|2,0,1]=4 156 B8R0.7 C=C(Br)CCCCCC MCULE-3502674829 [1,0,0,0,0,0|3,0,0]=4 157 B8R0.7 C=C(Br)CCCCCCl MCULE-8350652246 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.7 C=C(C)CCCCCC MCULE-2243788093 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.7 C=C(C)CCCCCCl MCULE-5646492015 [1,0,0,0,0,0|3,0,0]=4 160 B8R0.7 C=C(Cl)CCCCCC MCULE-4545659103 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.7 C=C(Cl)CCCCCCl MCULE-3447520654 [1,0,0,0,0,0|3,0,0]=4 162 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [1,0,0,0,0,0|2,0,1]=4 163 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [1,0,0,0,0,0|1,0,1]=3 164 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [1,0,0,0,0,0|2,0,1]=4 165 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [1,0,0,0,0,0|2,0,1]=4 166 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [1,0,0,0,0,0|2,0,1]=4 167 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [1,0,0,0,0,0|1,0,2]=4 168 B8R0.7 CC(=O)CCCCC#N MCULE-2841814511 [1,0,0,0,0,0|2,0,1]=4 169 B8R0.7 CC(=O)CCCCCBr MCULE-8946921118 [1,0,0,0,0,0|2,0,0]=3 170 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [1,0,0,0,0,0|2,0,0]=3 171 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [1,0,0,0,0,0|2,0,0]=3 172 B8R0.7 CC(=O)NCCCCN MCULE-6666803790 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.7 CC(=O)NCCCCN MCULE-8971714473 [1,0,0,0,0,0|3,0,0]=4 174 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [1,0,0,0,0,0|2,0,0]=3 175 B8R0.7 CC(=O)OCCCCBr MCULE-6081921662 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.7 CC(=O)OCCCCCl MCULE-3999602136 [1,0,0,0,0,0|3,0,0]=4 177 B8R0.7 CC(=O)OCCCCI MCULE-6699791525 [1,0,0,0,0,0|3,0,0]=4 178 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [1,0,0,0,0,0|2,0,0]=3 179 B8R0.7 CC(=O)SCCCCBr MCULE-1636667997 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.7 CC(=O)SCCCCN MCULE-2425585672 [1,0,0,0,0,0|3,0,0]=4 181 B8R0.7 CC(=O)SCCCCN MCULE-9899884734 [1,0,0,0,0,0|3,0,0]=4 182 B8R0.7 CC(C)CCCCCO MCULE-2133434329 [1,0,0,0,0,0|2,0,1]=4 183 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [1,0,0,0,0,0|1,0,2]=4 184 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [1,0,0,0,0,0|1,0,2]=4 185 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [1,0,0,0,0,0|1,0,2]=4 186 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [1,0,0,0,0,0|1,0,2]=4 187 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [1,0,0,0,0,0|1,0,2]=4 188 B8R0.7 CCCCCCB(O)O MCULE-6503959495 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [1,0,0,0,0,0|2,0,0]=3 190 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [1,0,0,0,0,0|2,0,0]=3 191 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [1,0,0,0,0,0|2,0,0]=3 192 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [1,0,0,0,0,0|1,0,0]=2 193 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [1,0,0,0,0,0|1,0,1]=3 194 B8R0.7 CCCCCCC(C)O MCULE-4635370769 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.7 CCCCCCC(C)O MCULE-5095200181 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.7 CCCCCCN(=O)=O MCULE-8283658415 [1,0,0,0,0,0|2,0,1]=4 197 B8R0.7 CCCCCC[C@@H](C)O MCULE-5245235461 [1,0,0,0,0,0|2,0,1]=4 198 B8R0.7 CCCCCC[C@@H](C)O MCULE-8537503782 [1,0,0,0,0,0|2,0,1]=4 199 B8R0.7 CCCCCC[C@H](C)O MCULE-2655815413 [1,0,0,0,0,0|2,0,1]=4 200 B8R0.7 CCCCCC[C@H](C)O MCULE-7784149103 [1,0,0,0,0,0|2,0,1]=4 201 B8R0.7 CCCCCNC(=O)N MCULE-3139270247 [1,0,0,0,0,0|3,0,0]=4 202 B8R0.7 CCCCCOC(=O)C MCULE-4911325533 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.7 CCCCCOC(=O)Cl MCULE-2896207255 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.7 CCCCNCC(=O)N MCULE-1276341431 [1,0,0,0,0,0|3,0,0]=4 205 B8R0.7 CCCCNCC(=O)N MCULE-6579402071 [1,0,0,0,0,0|3,0,0]=4 206 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [1,0,0,0,0,0|2,0,0]=3 207 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [1,0,0,0,0,0|2,0,0]=3 208 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [1,0,0,0,0,0|2,0,0]=3 209 B8R0.7 CCCNCCC(=O)N MCULE-2654608736 [1,0,0,0,0,0|3,0,0]=4 210 B8R0.7 CCCNCCC(=O)N MCULE-2683588523 [1,0,0,0,0,0|3,0,0]=4 211 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [1,0,0,0,0,0|2,0,0]=3 212 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [1,0,0,0,0,0|2,0,0]=3 213 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [1,0,0,0,0,0|2,0,0]=3 214 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [1,0,0,0,0,0|2,0,0]=3 215 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [1,0,0,0,0,0|2,0,0]=3 216 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [1,0,0,0,0,0|2,0,0]=3 217 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [1,0,0,0,0,0|2,0,0]=3 218 B8R0.7 CN(C)CCCCCO MCULE-4442986563 [1,0,0,0,0,0|3,0,0]=4 219 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [1,0,0,0,0,0|2,0,0]=3 220 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [1,0,0,0,0,0|2,0,0]=3 221 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [1,0,0,0,0,0|3,0,0]=4 222 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [1,0,0,0,0,0|2,0,0]=3 223 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [1,0,0,0,0,0|3,0,0]=4 224 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [1,0,0,0,0,0|3,0,0]=4 226 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [1,0,0,0,0,0|3,0,0]=4 227 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [1,0,0,0,0,0|2,0,0]=3 228 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [1,0,0,0,0,0|3,0,0]=4 229 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [1,0,0,0,0,0|3,0,0]=4 230 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [1,0,0,0,0,0|3,0,0]=4 231 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [1,0,0,0,0,0|3,0,0]=4 232 B8R0.7 N#CCCCCC(=O)N MCULE-7791035164 [1,0,0,0,0,0|2,0,1]=4 233 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [1,0,0,0,0,0|1,0,1]=3 234 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [1,0,0,0,0,0|2,0,1]=4 235 B8R0.7 N#N=NCCCC(=O)O MCULE-1397586704 [1,0,0,0,0,0|3,0,0]=4 236 B8R0.7 NC(=O)CCCCCBr MCULE-6938202710 [1,0,0,0,0,0|2,0,0]=3 237 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [1,0,0,0,0,0|1,0,0]=2 238 B8R0.7 NC(=O)CCNCCS MCULE-4682566242 [1,0,0,0,0,0|2,1,0]=4 239 B8R0.7 NCCCCCC(=O)N MCULE-1692086577 [1,0,0,0,0,0|2,0,0]=3 240 B8R0.7 NCCCCCC(=O)N MCULE-2191237198 [1,0,0,0,0,0|2,0,0]=3 241 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [1,0,0,0,0,0|1,0,0]=2 242 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [1,0,0,0,0,0|1,0,0]=2 243 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [1,0,0,0,0,0|1,0,1]=3 244 B8R0.7 NCCCCNC(=O)N MCULE-6339634491 [1,0,0,0,0,0|3,0,0]=4 245 B8R0.7 NCCCCNC(=O)N MCULE-8210849027 [1,0,0,0,0,0|3,0,0]=4 246 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [1,0,0,0,0,0|2,0,0]=3 247 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [1,0,0,0,0,0|2,0,0]=3 248 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [1,0,0,0,0,0|2,0,0]=3 249 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [1,0,0,0,0,0|2,0,0]=3 250 B8R0.7 NCCNCCC(=O)[O-] MCULE-8896439746 [1,0,0,0,0,0|2,0,1]=4 251 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [1,0,0,0,0,0|2,0,0]=3 252 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [1,0,0,0,0,0|2,0,0]=3 253 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [1,0,0,0,0,0|2,0,0]=3 254 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [1,0,0,0,0,0|2,0,0]=3 255 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [1,0,0,0,0,0|2,0,0]=3 256 B8R0.7 O=C(Cl)CCCCCBr MCULE-4314610726 [1,0,0,0,0,0|2,0,0]=3 257 B8R0.7 O=C(Cl)CCCCCCl MCULE-4526081631 [1,0,0,0,0,0|2,0,0]=3 258 B8R0.7 O=C(Cl)OCCCCCl MCULE-4992919323 [1,0,0,0,0,0|3,0,0]=4 259 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [1,0,0,0,0,0|1,0,0]=2 260 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [1,0,0,0,0,0|1,0,0]=2 261 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [1,0,0,0,0,0|1,0,0]=2 262 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [1,0,0,0,0,0|0,0,0]=1 263 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [1,0,0,0,0,0|0,1,0]=2 264 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [1,0,0,0,0,0|1,0,0]=2 265 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [1,0,0,0,0,0|2,0,0]=3 266 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [1,0,0,0,0,0|1,0,0]=2 267 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [1,0,0,0,0,0|1,1,0]=3 268 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [1,0,0,0,0,0|1,0,0]=2 269 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [1,0,0,0,0,0|2,0,0]=3 270 B8R0.7 O=C([O-])CCCCCCl MCULE-7341419838 [1,0,0,0,0,0|1,0,1]=3 271 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [1,0,0,0,0,0|0,0,1]=2 272 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [1,0,0,0,0,0|0,0,1]=2 273 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [1,0,0,0,0,0|0,0,2]=3 274 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [1,0,0,0,0,0|1,0,2]=4 275 B8R0.7 O=N(=O)CCCCCBr MCULE-8173901748 [1,0,0,0,0,0|2,0,1]=4 276 B8R0.7 O=N(=O)CCCCCCl MCULE-6320526045 [1,0,0,0,0,0|2,0,1]=4 277 B8R0.7 O=N(=O)CCCCCO MCULE-8742649710 [1,0,0,0,0,0|1,0,1]=3 278 B8R0.7 O=N(=O)OCCCCO MCULE-8113401389 [1,0,0,0,0,0|2,0,1]=4 279 B8R0.7 OB(O)CCCCCBr MCULE-1080449080 [1,0,0,0,0,0|2,0,1]=4 280 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [1,0,0,0,0,0|0,0,2]=3 281 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [1,0,0,0,0,0|1,0,2]=4 282 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [1,0,0,0,0,0|0,0,2]=3 283 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [1,0,0,0,0,0|0,0,2]=3 284 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [1,0,0,0,0,0|0,0,2]=3 285 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [1,0,0,0,0,0|0,0,2]=3 286 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [1,0,0,0,0,0|0,0,2]=3 287 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [1,0,0,0,0,0|0,0,2]=3 288 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [1,0,0,0,0,0|1,0,0]=2 289 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [1,0,0,0,0,0|1,0,0]=2 290 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [1,0,0,0,0,0|1,0,2]=4 291 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [1,0,0,0,0,0|1,0,2]=4 292 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [1,0,0,0,0,0|1,0,2]=4 293 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [1,0,0,0,0,0|0,0,2]=3 294 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [1,0,0,0,0,0|0,0,2]=3 295 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [1,0,0,0,0,0|0,0,2]=3 296 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [1,0,0,0,0,0|0,0,2]=3 297 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [1,0,0,0,0,0|0,0,2]=3 298 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [1,0,0,0,0,0|0,0,2]=3 299 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [1,0,0,0,0,0|0,0,2]=3 300 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [1,0,0,0,0,0|0,0,2]=3 301 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [1,0,0,0,0,0|0,0,2]=3 302 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [1,0,0,0,0,0|0,0,2]=3 303 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [1,0,0,0,0,0|0,0,2]=3 304 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [1,0,0,0,0,0|0,0,2]=3 305 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [1,0,0,0,0,0|0,0,2]=3 306 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [1,0,0,0,0,0|2,0,0]=3 307 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [1,0,0,0,0,0|3,0,0]=4 308 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [1,0,0,0,0,0|3,0,0]=4 309 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [1,0,0,0,0,0|2,0,0]=3 310 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [1,0,0,0,0,0|1,0,2]=4 311 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [1,0,0,0,0,0|1,0,2]=4 312 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [1,0,0,0,0,0|1,0,1]=3 314 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [1,0,0,0,0,0|1,0,2]=4 315 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [1,0,0,0,0,0|2,0,0]=3 316 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [1,0,0,0,0,0|1,0,0]=2 317 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [1,0,0,0,0,0|2,0,0]=3 318 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [1,0,0,0,0,0|2,0,0]=3 319 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [1,0,0,0,0,0|2,0,0]=3 320 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [1,0,0,0,0,0|1,0,0]=2 321 B8R0.8 CCCCC(C)C(C)O MCULE-2881990446 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [1,0,0,0,0,0|1,0,0]=2 323 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [1,0,0,0,0,0|1,0,0]=2 324 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [1,0,0,0,0,0|1,0,0]=2 325 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [1,0,0,0,0,0|0,0,0]=1 326 B8R0.8 CCCCC(N)C(C)O MCULE-3645367149 [1,0,0,0,0,0|1,0,1]=3 327 B8R0.8 CCCCC(N)C(C)O MCULE-4512291097 [1,0,0,0,0,0|1,0,1]=3 328 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [1,0,0,0,0,0|2,0,0]=3 329 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [1,0,0,0,0,0|1,0,0]=2 330 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [1,0,0,0,0,0|3,0,0]=4 331 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [1,0,0,0,0,0|1,0,0]=2 332 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [1,0,0,0,0,0|0,0,0]=1 333 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [1,0,0,0,0,0|0,0,0]=1 334 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [1,0,0,0,0,0|1,0,0]=2 335 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [1,0,0,0,0,0|1,0,0]=2 336 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [1,0,0,0,0,0|1,0,0]=2 337 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [1,0,0,0,0,0|1,0,0]=2 338 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [1,0,0,0,0,0|1,0,0]=2 339 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [1,0,0,0,0,0|1,0,0]=2 340 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [1,0,0,0,0,0|0,0,0]=1 341 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [1,0,0,0,0,0|0,0,0]=1 342 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [1,0,0,0,0,0|2,0,1]=4 343 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [1,0,0,0,0,0|2,0,0]=3 344 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [1,0,0,0,0,0|2,0,0]=3 345 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [1,0,0,0,0,0|2,0,0]=3 346 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [1,0,0,0,0,0|2,0,0]=3 347 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [1,0,0,0,0,0|1,0,0]=2 348 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [1,0,0,0,0,0|1,0,0]=2 349 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [1,0,0,0,0,0|1,0,0]=2 350 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [1,0,0,0,0,0|1,0,0]=2 351 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [1,0,0,0,0,0|1,0,0]=2 352 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [1,0,0,0,0,0|2,0,0]=3 353 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [1,0,0,0,0,0|2,0,0]=3 354 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [1,0,0,0,0,0|2,0,0]=3 355 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [1,0,0,0,0,0|1,0,0]=2 356 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [1,0,0,0,0,0|1,0,0]=2 357 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [1,0,0,0,0,0|1,0,0]=2 358 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [1,0,0,0,0,0|2,0,1]=4 359 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [1,0,0,0,0,0|2,0,0]=3 360 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [1,0,0,0,0,0|2,0,0]=3 361 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [1,0,0,0,0,0|2,0,0]=3 362 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [1,0,0,0,0,0|2,0,0]=3 363 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [1,0,0,0,0,0|1,0,0]=2 364 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [1,0,0,0,0,0|3,0,0]=4 365 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [1,0,0,0,0,0|2,0,0]=3 366 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [1,0,0,0,0,0|1,0,0]=2 367 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [1,0,0,0,0,0|1,0,0]=2 368 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [1,0,0,0,0,0|1,0,1]=3 369 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [1,0,0,0,0,0|1,0,1]=3 370 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [1,0,0,0,0,0|2,0,0]=3 371 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [1,0,0,0,0,0|2,0,0]=3 372 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [1,0,0,0,0,0|2,0,0]=3 373 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [1,0,0,0,0,0|2,0,0]=3 374 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [1,0,0,0,0,0|1,0,0]=2 375 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [1,0,0,0,0,0|1,0,0]=2 376 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [1,0,0,0,0,0|1,0,0]=2 377 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [1,0,0,0,0,0|1,0,0]=2 378 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [1,0,0,0,0,0|1,0,0]=2 379 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [1,0,0,0,0,0|1,0,0]=2 380 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [1,0,0,0,0,0|0,0,0]=1 381 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [1,0,0,0,0,0|1,0,0]=2 382 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [1,0,0,0,0,0|1,0,0]=2 383 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [1,0,0,0,0,0|1,0,0]=2 384 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [1,0,0,0,0,0|1,0,0]=2 385 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [1,0,0,0,0,0|1,0,0]=2 386 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [1,0,0,0,0,0|1,0,0]=2 387 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [1,0,0,0,0,0|1,0,0]=2 388 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [1,0,0,0,0,0|1,0,0]=2 389 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [1,0,0,0,0,0|1,0,0]=2 390 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [1,0,0,0,0,0|1,0,0]=2 391 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [1,0,0,0,0,0|1,0,0]=2 392 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [1,0,0,0,0,0|1,0,0]=2 393 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [1,0,0,0,0,0|1,0,0]=2 394 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [1,0,0,0,0,0|1,0,0]=2 395 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [1,0,0,0,0,0|1,0,0]=2 396 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [1,0,0,0,0,0|1,0,0]=2 397 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [1,0,0,0,0,0|2,0,0]=3 398 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [1,0,0,0,0,0|2,0,0]=3 399 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [1,0,0,0,0,0|2,0,0]=3 400 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [1,0,0,0,0,0|2,0,0]=3 401 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [1,0,0,0,0,0|0,0,0]=1 402 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [1,0,0,0,0,0|0,0,0]=1 403 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [1,0,0,0,0,0|1,0,0]=2 404 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [1,0,0,0,0,0|1,0,1]=3 405 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [1,0,0,0,0,0|0,0,2]=3 406 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [1,0,0,0,0,0|2,0,0]=3 407 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [1,0,0,0,0,0|3,0,0]=4 409 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [1,0,0,0,0,0|3,0,0]=4 410 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [1,0,0,0,0,0|3,0,0]=4 411 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [1,0,0,0,0,0|3,0,0]=4 412 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [1,0,0,0,0,0|3,0,0]=4 413 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [1,0,0,0,0,0|3,0,0]=4 414 B10R0.5 CCCCC[C@H](N)P(=O)(O)O MCULE-5419319712 [0,1,0,0,0,0|2,0,0]=3 415 B10R0.26 C=CCS(=O)CC(N)C(=O)O MCULE-1644221115 [0,1,0,0,0,0|2,0,1]=4 416 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-5403139844 [0,1,0,0,0,0|2,0,1]=4 417 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-6091538783 [0,1,0,0,0,0|2,0,1]=4 418 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-2127698614 [0,1,0,0,0,0|2,0,1]=4 419 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-6116290976 [0,1,0,0,0,0|2,0,1]=4 420 B10R0.26 CCCC(C)CC(N)C(=O)O MCULE-8848436054 [0,1,0,0,0,0|1,0,0]=2 421 B10R0.26 CCCS(=O)CC(N)C(=O)O MCULE-8745806923 [0,1,0,0,0,0|2,0,0]=3 422 B10R0.26 CCCS(=O)C[C@H](N)C(=O)O MCULE-6968745632 [0,1,0,0,0,0|2,0,0]=3 423 B10R0.26 CCOC(=O)CC(N)C(=O)O MCULE-1325477968 [0,1,0,0,0,0|2,0,1]=4 424 B10R0.42 C=CCCC[C@@](C)(N)C(=O)O MCULE-2310142201 [0,1,0,0,0,0|1,0,1]=3 425 B10R0.42 C=CCCC[C@](C)(N)C(=O)O MCULE-5334270405 [0,1,0,0,0,0|1,0,1]=3 426 B10R0.42 CCCCCC(C)(C)C(=O)O MCULE-7728669545 [0,1,0,0,0,0|2,0,0]=3 427 B10R0.42 C[C@@](N)(CCCCN)C(=O)O MCULE-5286287442 [0,1,0,0,0,0|1,0,0]=2 428 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [0,1,0,0,0,0|1,0,0]=2 429 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [0,1,0,0,0,0|1,0,0]=2 430 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [0,1,0,0,0,0|1,0,0]=2 431 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [0,1,0,0,0,0|1,0,0]=2 432 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [0,1,0,0,0,0|1,0,0]=2 433 B10R0.75 C=CCSSC[C@H](N)C(=O)O MCULE-8012244687 [0,1,0,0,0,0|2,0,1]=4 434 B10R0.75 CCCCCCC(Br)C(=O)Br MCULE-8391154868 [0,1,0,0,0,0|3,0,0]=4 435 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [0,1,0,0,0,0|2,0,0]=3 436 B10R0.75 CCCCCCC(C)C(=O)C MCULE-2296587993 [0,1,0,0,0,0|3,0,0]=4 437 B10R0.75 CCCCCCC(C)C(=O)Cl MCULE-4801747974 [0,1,0,0,0,0|3,0,0]=4 438 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [0,1,0,0,0,0|2,0,0]=3 439 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [0,1,0,0,0,0|2,0,0]=3 440 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [0,1,0,0,0,0|1,0,0]=2 441 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [0,1,0,0,0,0|1,0,0]=2 442 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [0,1,0,0,0,0|2,0,0]=3 443 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [0,1,0,0,0,0|1,0,0]=2 444 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [0,1,0,0,0,0|1,0,0]=2 445 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [0,1,0,0,0,0|1,0,0]=2 446 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [0,1,0,0,0,0|1,0,0]=2 447 B10R0.75 CCCCSC[C@@H](N)C(=O)O MCULE-8737283640 [0,1,0,0,0,0|1,0,0]=2 448 B10R0.75 CCCCSC[C@H](N)C(=O)O MCULE-5383064231 [0,1,0,0,0,0|1,0,0]=2 449 B10R0.75 CCOCCOC(C)C(=O)O MCULE-1855650459 [0,1,0,0,0,0|3,0,0]=4 450 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [0,1,0,0,0,0|1,0,0]=2 451 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [0,1,0,0,0,0|1,0,0]=2 452 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [0,1,0,0,0,0|1,0,0]=2 453 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [0,1,0,0,0,0|1,0,0]=2 454 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [0,1,0,0,0,0|1,0,0]=2 455 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [0,1,0,0,0,0|1,0,0]=2 456 B10R0.75 COCCSCC(N)C(=O)O MCULE-1808987613 [0,1,0,0,0,0|1,0,0]=2 457 B10R0.75 N#CCCSCC(N)C(=O)O MCULE-3478080944 [0,1,0,0,0,0|1,0,1]=3 458 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [0,1,0,0,0,0|0,0,2]=3 459 B10R0.75 NC(CSCCCO)C(=O)O MCULE-6250464318 [0,1,0,0,0,0|0,0,0]=1 460 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [0,1,0,0,0,0|1,0,0]=2 461 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [0,1,0,0,0,0|1,0,0]=2 462 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [0,1,0,0,0,0|1,0,0]=2 463 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [0,1,0,0,0,0|1,0,0]=2 464 B10R0.75 NCCCSC[C@H](N)C(=O)O MCULE-9670718396 [0,1,0,0,0,0|1,0,0]=2 465 B10R0.75 NCCC[Se]C[C@H](N)C(=O)O MCULE-4318104451 [0,1,0,0,0,0|1,0,0]=2 466 B10R0.75 NCCO/C=C/[C@H](N)C(=O)O MCULE-3843418907 [0,1,0,0,0,0|1,0,2]=4 467 B10R0.75 NCCO/C=C/[C@H](N)C(=O)O MCULE-9640707026 [0,1,0,0,0,0|1,0,2]=4 468 B10R0.75 NCCOC=CC(N)C(=O)O MCULE-1542354581 [0,1,0,0,0,0|1,0,2]=4 469 B10R0.75 NCCOC=C[C@H](N)C(=O)O MCULE-5022414897 [0,1,0,0,0,0|1,0,2]=4 470 B10R0.75 NCCOC=C[C@H](N)C(=O)O MCULE-6783991597 [0,1,0,0,0,0|1,0,2]=4 471 B10R0.75 N[C@@H](CCSCCO)C(=O)O MCULE-2974080305 [0,1,0,0,0,0|0,0,0]=1 472 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-1323141415 [0,1,0,0,0,0|0,0,0]=1 473 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-8256841743 [0,1,0,0,0,0|0,0,0]=1 474 B10R0.75 N[C@@H](CSSCCO)C(=O)O MCULE-7717227685 [0,1,0,0,0,0|1,0,0]=2 475 B10R0.75 O=C(O)C(=O)CCCCCCl MCULE-5263490690 [0,1,0,0,0,0|2,0,1]=4 476 B10R0.75 [N-]=[N+]=NCCC[C@@H](N)C(=O)O MCULE-2902827107 [0,1,0,0,0,0|2,0,0]=3 477 B10R0.75 [N-]=[N+]=NCCC[C@@H]([NH3+])C(=O)O MCULE-7342778742 [0,1,0,0,0,0|2,0,1]=4 478 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6058924639 [0,1,0,0,0,0|2,0,0]=3 479 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6632469133 [0,1,0,0,0,0|2,0,0]=3 480 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-7192387796 [0,1,0,0,0,0|2,0,0]=3 481 B10R0.75 [N-]=[N+]=NCCC[C@H]([NH3+])C(=O)O MCULE-6281928342 [0,1,0,0,0,0|2,0,1]=4 482 B10R0.81 C=CCOC(C)C(N)C(=O)O MCULE-3631812514 [0,1,0,0,0,0|2,0,1]=4 483 B10R0.81 C=CCOC(C)C(N)C(=O)O MCULE-3885008525 [0,1,0,0,0,0|2,0,1]=4 484 B10R0.81 C=CCO[C@H](C)[C@H](N)C(=O)O MCULE-2462180654 [0,1,0,0,0,0|2,0,1]=4 485 B10R0.81 C=CCO[C@H](C)[C@H](N)C(=O)O MCULE-5064570394 [0,1,0,0,0,0|2,0,1]=4 486 B10R0.81 C=CCO[C@H](C)[C@H](N)C(=O)O MCULE-6538716292 [0,1,0,0,0,0|2,0,1]=4 487 B10R0.81 C=CCO[C@H](C)[C@H](N)C(=O)O MCULE-9236706170 [0,1,0,0,0,0|2,0,1]=4 488 B10R0.81 CCCCC(N)C(O)C(=O)O MCULE-9772584692 [0,1,0,0,0,0|2,0,0]=3 489 B10R0.81 CCCC[C@@H](N)[C@H](O)C(=O)O MCULE-8826953669 [0,1,0,0,0,0|2,0,0]=3 490 B10R0.81 CCCC[C@H](N)[C@H](O)C(=O)O MCULE-6737057860 [0,1,0,0,0,0|2,0,0]=3 491 B10R0.81 COCCC(C)C(N)C(=O)O MCULE-6609752945 [0,1,0,0,0,0|2,0,0]=3 492 B10R0.82 CNC(=O)CCC(N)C(=O)O MCULE-2815144960 [0,1,0,0,0,0|2,0,1]=4 493 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1417445261 [0,1,0,0,0,0|2,0,1]=4 494 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1495018790 [0,1,0,0,0,0|2,0,1]=4 495 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-3233905582 [0,1,0,0,0,0|2,0,1]=4 496 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-4870656159 [0,1,0,0,0,0|2,0,1]=4 497 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-1607830290 [0,1,0,0,0,0|2,0,1]=4 498 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7380350089 [0,1,0,0,0,0|2,0,1]=4 499 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7654158848 [0,1,0,0,0,0|2,0,1]=4 500 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-8680968839 [0,1,0,0,0,0|2,0,1]=4 501 B10R0.82 NC(CCC(=O)NO)C(=O)O MCULE-9353366308 [0,1,0,0,0,0|1,0,1]=3 502 B10R0.82 NC(CCP(=O)CO)C(=O)O MCULE-2901685887 [0,1,0,0,0,0|1,0,0]=2 503 B10R0.82 NC(CCP(=O)CO)C(=O)[O-] MCULE-4812114882 [0,1,0,0,0,0|1,0,1]=3 504 B10R0.82 NCC(F)CCC(N)C(=O)O MCULE-5359725270 [0,1,0,0,0,0|1,0,0]=2 505 B10R0.82 NCC(F)CCC(N)C(=O)O MCULE-7837362209 [0,1,0,0,0,0|1,0,0]=2 506 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6064290143 [0,1,0,0,0,0|1,0,0]=2 507 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6546706417 [0,1,0,0,0,0|1,0,0]=2 508 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-4925093695 [0,1,0,0,0,0|1,0,0]=2 509 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-7103430731 [0,1,0,0,0,0|1,0,0]=2 510 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-1390178110 [0,1,0,0,0,0|1,0,0]=2 511 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-7788161688 [0,1,0,0,0,0|1,0,0]=2 512 B10R0.83 C=CCCCC(N)C(=O)OC MCULE-1972402066 [0,1,0,0,0,0|1,0,1]=3 513 B10R0.83 CCCCCC(N)C(=O)NC MCULE-6020353560 [0,1,0,0,0,0|2,0,0]=3 514 B10R0.83 CCCCCC(N)C(=O)OC MCULE-2018052401 [0,1,0,0,0,0|1,0,0]=2 515 B10R0.83 CCCCCC(N)C(=O)OC MCULE-5487541008 [0,1,0,0,0,0|1,0,0]=2 516 B10R0.83 CCCCCC(O)C(=O)OC MCULE-9996510127 [0,1,0,0,0,0|2,0,0]=3 517 B10R0.83 CCCCC[C@H](N)C(=O)NC MCULE-9979996978 [0,1,0,0,0,0|2,0,0]=3 518 B10R0.83 CNC(=O)[C@@H](N)CCCCN MCULE-4853574180 [0,1,0,0,0,0|2,0,0]=3 519 B10R0.83 COC(=O)C(C)CSCCO MCULE-1337971468 [0,1,0,0,0,0|2,0,0]=3 520 B10R0.83 COC(=O)C(N)CCCCN MCULE-4653959448 [0,1,0,0,0,0|1,0,0]=2 521 B10R0.83 COC(=O)C(N)CCCCN MCULE-5717864681 [0,1,0,0,0,0|1,0,0]=2 522 B10R0.83 COC(=O)C(N)CCCCN MCULE-8914801986 [0,1,0,0,0,0|1,0,0]=2 523 B10R0.83 COC(=O)C(N)CCCCO MCULE-5166100554 [0,1,0,0,0,0|0,0,0]=1 524 B10R0.83 COC(=O)C(N)CCCCO MCULE-6738034786 [0,1,0,0,0,0|0,0,0]=1 525 B10R0.83 COC(=O)C([NH3+])CCCC[NH3+] MCULE-3249374734 [0,1,0,0,0,0|1,0,1]=3 526 B10R0.83 COC(=O)[C@@H](N)CCCCN MCULE-1350520573 [0,1,0,0,0,0|1,0,0]=2 527 B10R0.83 COC(=O)[C@@H](N)CCCCN MCULE-6307487491 [0,1,0,0,0,0|1,0,0]=2 528 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-2204531892 [0,1,0,0,0,0|1,0,0]=2 529 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-2624615589 [0,1,0,0,0,0|1,0,0]=2 530 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-6994501008 [0,1,0,0,0,0|1,0,0]=2 531 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-7046980735 [0,1,0,0,0,0|1,0,0]=2 532 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-7404594930 [0,1,0,0,0,0|1,0,0]=2 533 B10R0.83 NCCCC[C@H](N)C(=O)CCl MCULE-8447625474 [0,1,0,0,0,0|2,0,0]=3 534 B10R0.83 NCCCC[C@H](N)C(=O)NO MCULE-6731609596 [0,1,0,0,0,0|1,0,0]=2 535 B10R0.83 [C@H](N)(CCCCN)C(=O)OC MCULE-5018936719 [0,1,0,0,0,0|1,0,0]=2 536 B10R0.83 [C@H](N)(CCCCN)C(=O)OC MCULE-8447837964 [0,1,0,0,0,0|1,0,0]=2 537 B10R0.86 CCCCCC(CC)C(=O)C MCULE-1913128605 [0,1,0,0,0,0|3,0,0]=4 538 B10R0.86 CCCCCC(CC)C(=O)O MCULE-3515775261 [0,1,0,0,0,0|2,0,0]=3 539 B10R0.86 CNC(CCCCN)C(=O)O MCULE-3351204873 [0,1,0,0,0,0|1,0,0]=2 540 B10R0.86 CNC(CCCCN)C(=O)O MCULE-6279634717 [0,1,0,0,0,0|1,0,0]=2 541 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-1289342070 [0,1,0,0,0,0|1,0,0]=2 542 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-4082358865 [0,1,0,0,0,0|1,0,0]=2 543 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-5920807456 [0,1,0,0,0,0|1,0,0]=2 544 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-9072694055 [0,1,0,0,0,0|1,0,0]=2 545 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,1,0,0,0,0|1,0,2]=4 546 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,1,0,0,0,0|1,0,2]=4 547 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,1,0,0,0,0|1,0,2]=4 548 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,1,0,0,0,0|1,0,2]=4 549 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,1,0,0,0,0|1,0,2]=4 550 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,1,0,0,0,0|1,0,2]=4 551 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,1,0,0,0,0|1,0,2]=4 552 B10R0.98 CC(C)CCCC(C)C(=O)O MCULE-3667108752 [0,1,0,0,0,0|2,0,0]=3 553 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [0,1,0,0,0,0|1,0,0]=2 554 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [0,1,0,0,0,0|1,0,0]=2 555 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [0,1,0,0,0,0|1,0,0]=2 556 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [0,1,0,0,0,0|1,0,0]=2 557 B10R0.98 CC(C)CCOC(C)C(=O)O MCULE-3181346418 [0,1,0,0,0,0|3,0,0]=4 558 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-5130020295 [0,1,0,0,0,0|2,0,0]=3 559 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-6070288614 [0,1,0,0,0,0|2,0,0]=3 560 B10R0.98 CN(C)CCC[C@H](N)C(=O)O MCULE-9481059271 [0,1,0,0,0,0|2,0,0]=3 561 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,1,0,0,0,0|2,0,1]=4 562 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,1,0,0,0,0|2,0,1]=4 563 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,1,0,0,0,0|2,0,1]=4 564 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,1,0,0,0,0|2,0,1]=4 565 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,1,0,0,0,0|0,0,1]=2 566 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,1,0,0,0,0|0,0,1]=2 567 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,1,0,0,0,0|0,0,1]=2 568 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,1,0,0,0,0|1,0,1]=3 569 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,1,0,0,0,0|0,0,1]=2 570 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,1,0,0,0,0|0,0,1]=2 571 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,1,0,0,0,0|1,0,1]=3 572 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,1,0,0,0,0|1,0,1]=3 573 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,1,0,0,0,0|0,0,1]=2 574 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,1,0,0,0,0|0,0,1]=2 575 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,1,0,0,0,0|1,0,2]=4 576 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,1,0,0,0,0|1,0,1]=3 577 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,1,0,0,0,0|1,0,1]=3 578 B10R1.7 CC1CCCCCCC1=O MCULE-5002473983 [0,0,0,1,0,0|3,0,0]=4 579 B10R1.7 NC1CCCCCCC1O MCULE-9142911119 [0,0,0,1,0,0|2,0,1]=4 580 B10R1.7 N[C@@H]1CCCCCC[C@@H]1O MCULE-1728493798 [0,0,0,1,0,0|2,0,1]=4 581 B10R1.7 N[C@@H]1CCCCCC[C@H]1O MCULE-8702565765 [0,0,0,1,0,0|2,0,1]=4 582 B10R1.7 N[C@H]1CCCCCC[C@@H]1O MCULE-4894585058 [0,0,0,1,0,0|2,0,1]=4 583 B10R1.7 N[C@H]1CCCCCC[C@H]1O MCULE-3214389652 [0,0,0,1,0,0|2,0,1]=4 584 B10R1.7 O=C1NCCCCCC1I MCULE-6621175147 [0,0,0,1,0,0|3,0,0]=4 585 B10R1.23 CC(C(=O)O)C1CCCC1 MCULE-5802736245 [0,0,0,1,0,0|2,0,0]=3 586 B10R1.23 CC(C(=O)O)C1CCCO1 MCULE-7845267101 [0,0,0,1,0,0|1,0,0]=2 587 B10R1.23 CC(C(=O)O)C1CCOC1 MCULE-7866218529 [0,0,0,1,0,0|3,0,0]=4 588 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-1089880160 [0,0,0,1,0,0|3,0,0]=4 589 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-6643699902 [0,0,0,1,0,0|3,0,0]=4 590 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-9316791928 [0,0,0,1,0,0|3,0,0]=4 591 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3614375066 [0,0,0,1,0,0|3,0,0]=4 592 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3855579270 [0,0,0,1,0,0|3,0,0]=4 593 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8338161515 [0,0,0,1,0,0|3,0,0]=4 594 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8839356147 [0,0,0,1,0,0|3,0,0]=4 595 B10R1.23 NC(=O)C(F)C1CCCC1 MCULE-2132325699 [0,0,0,1,0,0|3,0,0]=4 596 B10R1.23 NC(=O)C(N)C1CCCC1 MCULE-5304987336 [0,0,0,1,0,0|2,0,0]=3 597 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7146175523 [0,0,0,1,0,0|1,0,0]=2 598 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7746486136 [0,0,0,1,0,0|1,0,0]=2 599 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-9888348666 [0,0,0,1,0,0|1,0,0]=2 600 B10R1.23 NC(C(=O)O)C1CCCO1 MCULE-3670924700 [0,0,0,1,0,0|0,0,0]=1 601 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-1642984994 [0,0,0,1,0,0|2,0,0]=3 602 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-8012924580 [0,0,0,1,0,0|2,0,0]=3 603 B10R1.23 NC(C(=O)O)C1CCOC1 MCULE-9063647673 [0,0,0,1,0,0|2,0,0]=3 604 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-2078695461 [0,0,0,1,0,0|1,0,0]=2 605 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-7548517913 [0,0,0,1,0,0|1,0,0]=2 606 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-1391706498 [0,0,0,1,0,0|1,0,0]=2 607 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-5447481000 [0,0,0,1,0,0|1,0,0]=2 608 B10R1.23 O=C(O)C(=O)C1CCCC1 MCULE-3971745471 [0,0,0,1,0,0|2,0,1]=4 609 B10R1.23 O=C(O)C(Br)C1CCCC1 MCULE-1051918450 [0,0,0,1,0,0|2,0,0]=3 610 B10R1.23 O=C(O)C(F)C1CCCC1 MCULE-8637303916 [0,0,0,1,0,0|2,0,0]=3 611 B10R1.23 O=C(O)C(F)C1CCOC1 MCULE-4380204267 [0,0,0,1,0,0|3,0,0]=4 612 B10R1.23 O=C(O)C(O)C1CCCC1 MCULE-1471598195 [0,0,0,1,0,0|2,0,0]=3 613 B10R1.23 O=C(O)C(O)C1CCNC1 MCULE-8304713060 [0,0,0,1,0,0|3,0,0]=4 614 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 MCULE-6560406332 [0,0,0,1,0,0|2,0,0]=3 615 B10R1.23 O=C(O)[C@H](O)C1CCCC1 MCULE-1883242923 [0,0,0,1,0,0|2,0,0]=3 616 B10R1.31 C1(NC(CS1)C(=O)O)CC MCULE-6124427567 [0,0,0,1,0,0|2,0,0]=3 617 B10R1.31 CC(=O)N1CCC(C1)CO MCULE-5247358570 [0,0,0,1,0,0|3,0,0]=4 618 B10R1.31 CC(=O)N1CC[C@@H](C1)CO MCULE-3163945323 [0,0,0,1,0,0|3,0,0]=4 619 B10R1.31 CC(=O)N1CC[C@@H](C1)CO MCULE-5491599910 [0,0,0,1,0,0|3,0,0]=4 620 B10R1.31 CC(=O)N1CC[C@H](C1)CO MCULE-2897214159 [0,0,0,1,0,0|3,0,0]=4 621 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9089135115 [0,0,0,1,0,0|1,0,0]=2 622 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9951781675 [0,0,0,1,0,0|1,0,0]=2 623 B10R1.31 CCC1NC(CS1)C(=O)O MCULE-2037916598 [0,0,0,1,0,0|2,0,0]=3 624 B10R1.31 CCN1CCC(C1)C(=O)O MCULE-6987605321 [0,0,0,1,0,0|3,0,0]=4 625 B10R1.31 COC1CCC(C1)C(=O)O MCULE-5189432372 [0,0,0,1,0,0|3,0,0]=4 626 B10R1.31 CO[C@H]1CC[C@@H](C1)C(=O)O MCULE-8255434197 [0,0,0,1,0,0|3,0,0]=4 627 B10R1.31 CO[C@H]1CC[C@H](C1)C(=O)O MCULE-3942607370 [0,0,0,1,0,0|3,0,0]=4 628 B10R1.31 NC[C@@H]1CN[C@@H](C1)C(=O)O MCULE-2543185174 [0,0,0,1,0,0|3,0,0]=4 629 B10R1.31 NC[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5699643655 [0,0,0,1,0,0|3,0,0]=4 630 B10R1.31 O=C(O)C1CCC(=NO)C1 MCULE-1447348290 [0,0,0,1,0,0|2,0,1]=4 631 B10R1.93 CCCC1CC(C1)C(=O)O MCULE-7182602664 [0,0,0,1,0,0|2,0,0]=3 632 B10R1.93 CCOC1CC(C1)C(=O)O MCULE-2644121943 [0,0,0,1,0,0|3,0,0]=4 633 B10R1.93 COCC1CC(C1)C(=O)O MCULE-8420432135 [0,0,0,1,0,0|3,0,0]=4 634 B10R1.113 CC(=O)N1CCCC(C1)O MCULE-4557043332 [0,0,0,1,0,0|3,0,0]=4 635 B10R1.113 CC(=O)N1CCC[C@@H](C1)O MCULE-1777848146 [0,0,0,1,0,0|3,0,0]=4 636 B10R1.113 CC(=O)N1CCC[C@@H](C1)O MCULE-5198604448 [0,0,0,1,0,0|3,0,0]=4 637 B10R1.113 CC(=O)N1CCC[C@H](C1)O MCULE-4329362874 [0,0,0,1,0,0|3,0,0]=4 638 B10R1.113 CC(=O)N1CCC[C@H](C1)O MCULE-8344466566 [0,0,0,1,0,0|3,0,0]=4 639 B10R1.113 CC1=NCCC(N1)C(=O)O MCULE-8417553503 [0,0,0,1,0,0|2,0,1]=4 640 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-7720743223 [0,0,0,1,0,0|3,0,0]=4 641 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-8584436669 [0,0,0,1,0,0|3,0,0]=4 642 B10R1.113 CC1CC(CCO1)C(=O)O MCULE-8051149188 [0,0,0,1,0,0|3,0,0]=4 643 B10R1.113 CC1CCCC(C1)C(=O)O MCULE-1709216331 [0,0,0,1,0,0|2,0,0]=3 644 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [0,0,0,1,0,0|1,0,0]=2 645 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [0,0,0,1,0,0|1,0,0]=2 646 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [0,0,0,1,0,0|1,0,0]=2 647 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,0,0,1,0,0|2,0,0]=3 648 B10R1.113 CC1CCNC(C1)C(=O)O MCULE-7170086856 [0,0,0,1,0,0|3,0,0]=4 649 B10R1.113 CC1CNCC(C1)C(=O)O MCULE-6208683659 [0,0,0,1,0,0|3,0,0]=4 650 B10R1.113 CC1CNCC(O1)C(=O)O MCULE-4851002529 [0,0,0,1,0,0|3,0,0]=4 651 B10R1.113 CC1COCC(N1)C(=O)N MCULE-4300959650 [0,0,0,1,0,0|3,0,0]=4 652 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [0,0,0,1,0,0|2,0,0]=3 653 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-2577677138 [0,0,0,1,0,0|3,0,0]=4 654 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-9093982856 [0,0,0,1,0,0|3,0,0]=4 655 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3472059995 [0,0,0,1,0,0|3,0,0]=4 656 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3661518240 [0,0,0,1,0,0|3,0,0]=4 657 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-4244061094 [0,0,0,1,0,0|3,0,0]=4 658 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-1368409828 [0,0,0,1,0,0|3,0,0]=4 659 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-2079226353 [0,0,0,1,0,0|3,0,0]=4 660 B10R1.113 CS(=O)C1CCCC(C1)O MCULE-2451665084 [0,0,0,1,0,0|3,0,0]=4 661 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4534640450 [0,0,0,1,0,0|2,0,0]=3 662 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [0,0,0,1,0,0|1,0,0]=2 663 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [0,0,0,1,0,0|1,0,0]=2 664 B10R1.113 C[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2658835025 [0,0,0,1,0,0|2,0,0]=3 665 B10R1.113 C[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-6382189211 [0,0,0,1,0,0|3,0,0]=4 666 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-3220705725 [0,0,0,1,0,0|3,0,0]=4 667 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-4368703620 [0,0,0,1,0,0|3,0,0]=4 668 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5852226290 [0,0,0,1,0,0|3,0,0]=4 669 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-8448888283 [0,0,0,1,0,0|3,0,0]=4 670 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-6787897599 [0,0,0,1,0,0|3,0,0]=4 671 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-7011808441 [0,0,0,1,0,0|3,0,0]=4 672 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-1640808929 [0,0,0,1,0,0|3,0,0]=4 673 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-5152957457 [0,0,0,1,0,0|3,0,0]=4 674 B10R1.113 C[C@@H]1CNC[C@H](C1)C(=O)O MCULE-8762702780 [0,0,0,1,0,0|3,0,0]=4 675 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-6500795104 [0,0,0,1,0,0|3,0,0]=4 676 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-9135304432 [0,0,0,1,0,0|3,0,0]=4 677 B10R1.113 C[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2151963828 [0,0,0,1,0,0|2,0,0]=3 678 B10R1.113 C[C@H]1CCC[C@H](C1)C(=O)O MCULE-9191189376 [0,0,0,1,0,0|2,0,0]=3 679 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3797871093 [0,0,0,1,0,0|3,0,0]=4 680 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3813657182 [0,0,0,1,0,0|3,0,0]=4 681 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O MCULE-8048617173 [0,0,0,1,0,0|3,0,0]=4 682 B10R1.113 C[C@H]1CNC[C@@H](C1)C(=O)O MCULE-9182357479 [0,0,0,1,0,0|3,0,0]=4 683 B10R1.113 C[C@H]1CNC[C@H](C1)C(=O)O MCULE-7208949681 [0,0,0,1,0,0|3,0,0]=4 684 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-3777490064 [0,0,0,1,0,0|3,0,0]=4 685 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-7587755997 [0,0,0,1,0,0|3,0,0]=4 686 B10R1.113 NC(=O)C1CCCC(C1)N MCULE-5887465193 [0,0,0,1,0,0|3,0,0]=4 687 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-1352569589 [0,0,0,1,0,0|3,0,0]=4 688 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-3084012877 [0,0,0,1,0,0|3,0,0]=4 689 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-3571668618 [0,0,0,1,0,0|3,0,0]=4 690 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-3930179934 [0,0,0,1,0,0|3,0,0]=4 691 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-1721377644 [0,0,0,1,0,0|2,0,0]=3 692 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-3598251126 [0,0,0,1,0,0|2,0,0]=3 693 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7071803947 [0,0,0,1,0,0|3,0,0]=4 694 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7129710557 [0,0,0,1,0,0|3,0,0]=4 695 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5563204448 [0,0,0,1,0,0|2,0,0]=3 696 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5798146682 [0,0,0,1,0,0|2,0,0]=3 697 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-8105249419 [0,0,0,1,0,0|2,0,0]=3 698 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-9161171059 [0,0,0,1,0,0|2,0,0]=3 699 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2713838733 [0,0,0,1,0,0|2,0,0]=3 700 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2810146308 [0,0,0,1,0,0|2,0,0]=3 701 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-3141762073 [0,0,0,1,0,0|2,0,0]=3 702 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-6970045085 [0,0,0,1,0,0|2,0,0]=3 703 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-5264166397 [0,0,0,1,0,0|3,0,0]=4 704 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-6153195788 [0,0,0,1,0,0|3,0,0]=4 705 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-3283868687 [0,0,0,1,0,0|2,0,0]=3 706 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5009823003 [0,0,0,1,0,0|2,0,0]=3 707 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-6716939610 [0,0,0,1,0,0|2,0,0]=3 708 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-8264766500 [0,0,0,1,0,0|2,0,0]=3 709 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-1016300044 [0,0,0,1,0,0|2,0,0]=3 710 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-2730367375 [0,0,0,1,0,0|2,0,0]=3 711 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3326410223 [0,0,0,1,0,0|2,0,0]=3 712 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3370817462 [0,0,0,1,0,0|2,0,0]=3 713 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3467671648 [0,0,0,1,0,0|2,0,0]=3 714 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-7929171022 [0,0,0,1,0,0|2,0,0]=3 715 B10R1.113 O=C(O)C1=CC(CCC1)O MCULE-3053514968 [0,0,0,1,0,0|1,0,1]=3 716 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-2758341308 [0,0,0,1,0,0|2,0,0]=3 717 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-7585455422 [0,0,0,1,0,0|2,0,0]=3 718 B10R1.113 O=C(O)C1CCCC(C1)F MCULE-2589850350 [0,0,0,1,0,0|2,0,0]=3 719 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,0,0,1,0,0|1,0,0]=2 720 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [0,0,0,1,0,0|2,0,0]=3 721 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [0,0,0,1,0,0|2,0,0]=3 722 B10R1.113 O=C(O)[C@@H]1CC=C[C@@H](C1)O MCULE-3205925226 [0,0,0,1,0,0|1,0,2]=4 723 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,0,0,1,0,0|1,0,0]=2 724 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,0,0,1,0,0|1,0,0]=2 725 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,0,0,1,0,0|1,0,0]=2 726 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,0,0,1,0,0|1,0,0]=2 727 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-1390000123 [0,0,0,1,0,0|2,0,0]=3 728 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-5873942206 [0,0,0,1,0,0|2,0,0]=3 729 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O MCULE-5317131791 [0,0,0,1,0,0|2,0,0]=3 730 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,0,0,1,0,0|1,0,0]=2 731 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,0,0,1,0,0|1,0,0]=2 732 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,0,0,1,0,0|1,0,0]=2 733 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,0,0,1,0,0|1,0,0]=2 734 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1474484031 [0,0,0,1,0,0|2,0,0]=3 735 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1820373402 [0,0,0,1,0,0|2,0,0]=3 736 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4771226737 [0,0,0,1,0,0|2,0,0]=3 737 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4907773186 [0,0,0,1,0,0|2,0,0]=3 738 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-8175624129 [0,0,0,1,0,0|2,0,0]=3 739 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-4751772547 [0,0,0,1,0,0|2,0,0]=3 740 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-6686826243 [0,0,0,1,0,0|2,0,0]=3 741 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,0,0,1,0,0|1,0,2]=4 742 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,0,0,1,0,0|0,0,2]=3 743 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,0,0,1,0,0|0,0,2]=3 744 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,0,0,1,0,0|1,0,2]=4 745 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,0,0,1,0,0|0,0,2]=3 746 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,0,0,1,0,0|0,0,2]=3 747 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,0,0,1,0,0|1,0,2]=4 748 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,0,0,1,0,0|0,0,2]=3 749 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,0,0,1,0,0|0,0,2]=3 750 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,0,0,1,0,0|1,0,2]=4 751 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,0,0,1,0,0|1,0,2]=4 752 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,0,0,1,0,0|1,0,2]=4 753 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,0,0,1,0,0|1,0,2]=4 754 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,0,0,1,0,0|1,0,2]=4 755 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,0,0,1,0,0|1,0,2]=4 756 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,0,0,1,0,0|1,0,2]=4 757 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,0,0,1,0,0|1,0,2]=4 758 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [0,0,0,1,0,0|1,0,0]=2 759 B10R1.113 [C@H]1(CCCN(C1)C)C(=O)O MCULE-4364645223 [0,0,0,1,0,0|3,0,0]=4 760 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-2539251802 [0,0,0,1,0,0|2,0,0]=3 761 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-4407634771 [0,0,0,1,0,0|2,0,0]=3 762 B10R1.116 CC(=O)N(C)C1CCC1O MCULE-4135732847 [0,0,0,1,0,0|3,0,0]=4 763 B10R1.131 CCCC1OC(=O)C(O1)C MCULE-3323635957 [0,0,0,1,0,0|3,0,0]=4 764 B10R1.144 CCCCC1CC1C(=O)O MCULE-5737299312 [0,0,0,1,0,0|2,0,0]=3 765 B10R1.176 CN1CCC(CC1=O)CO MCULE-5216256569 [0,0,0,1,0,0|3,0,0]=4 766 B10R1.176 CN1CC[C@@H](CC1=O)CO MCULE-9838043066 [0,0,0,1,0,0|3,0,0]=4 767 B10R1.204 CC(CC1CCC1)C(=O)O MCULE-9404107634 [0,0,0,1,0,0|2,0,0]=3 768 B10R1.204 C[C@H](NC1CCC1)C(=O)O MCULE-7409631566 [0,0,0,1,0,0|3,0,0]=4 769 B10R1.204 NC(=O)C(F)CC1CCC1 MCULE-6493382532 [0,0,0,1,0,0|3,0,0]=4 770 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-3218968630 [0,0,0,1,0,0|1,0,0]=2 771 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-4504908507 [0,0,0,1,0,0|1,0,0]=2 772 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-9377321223 [0,0,0,1,0,0|1,0,0]=2 773 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-1216111783 [0,0,0,1,0,0|1,0,0]=2 774 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-5390134859 [0,0,0,1,0,0|1,0,0]=2 775 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-5493935992 [0,0,0,1,0,0|1,0,0]=2 776 B10R1.204 N[C@H](CC1CCC1)C(=O)O MCULE-3225528393 [0,0,0,1,0,0|1,0,0]=2 777 B10R1.204 N[C@H](CC1CCC1)C(=O)O MCULE-7473428983 [0,0,0,1,0,0|1,0,0]=2 778 B10R1.204 O=C(O)C(F)CC1CCC1 MCULE-4701098034 [0,0,0,1,0,0|2,0,0]=3 779 B10R1.204 O=C(O)[C@H](O)CC1CCC1 MCULE-8975040339 [0,0,0,1,0,0|2,0,0]=3 780 B10R1.205 CC(OCC1CC1)C(=O)O MCULE-4908101296 [0,0,0,1,0,0|3,0,0]=4 781 B10R1.291 CC1CCCC1(C)C(=O)O MCULE-3149463709 [0,0,0,1,0,0|2,0,0]=3 782 B10R1.291 CC1OCCC1(C)C(=O)O MCULE-4774939870 [0,0,0,1,0,0|3,0,0]=4 783 B10R1.291 CN1CCCC1(C)C(=O)O MCULE-3073966944 [0,0,0,1,0,0|3,0,0]=4 784 B10R1.291 CN1CCC[C@@]1(C)C(=O)O MCULE-3527940712 [0,0,0,1,0,0|3,0,0]=4 785 B10R1.291 CN1CCC[C@]1(C)C(=O)O MCULE-2144267845 [0,0,0,1,0,0|3,0,0]=4 786 B10R1.291 C[C@]1(CCC[C@@H]1N)C(=O)O MCULE-2571628010 [0,0,0,1,0,0|2,0,0]=3 787 B10R1.291 C[C@]1(CCC[C@@H]1N)C(=O)O MCULE-3056122824 [0,0,0,1,0,0|2,0,0]=3 788 B10R1.348 CC(=O)C1CCCCCC1 MCULE-9324503120 [0,0,0,1,0,0|3,0,0]=4 789 B10R1.348 NC(=O)C1CCCCCC1 MCULE-2005648941 [0,0,0,1,0,0|3,0,0]=4 790 B10R1.348 NC(=O)C1CCCCNC1 MCULE-6748059498 [0,0,0,1,0,0|3,0,0]=4 791 B10R1.348 NC(=O)C1CCCCNC1 MCULE-8697140088 [0,0,0,1,0,0|3,0,0]=4 792 B10R1.348 NC(=O)C1CNCCOC1 MCULE-3555049909 [0,0,0,1,0,0|3,0,0]=4 793 B10R1.348 O=C(Cl)C1CCCCCC1 MCULE-4659434885 [0,0,0,1,0,0|3,0,0]=4 794 B10R1.348 O=C(O)C1=CCCCCC1 MCULE-5438079704 [0,0,0,1,0,0|2,0,1]=4 795 B10R1.348 O=C(O)C1CCCCCC1 MCULE-7903672891 [0,0,0,1,0,0|2,0,0]=3 796 B10R1.348 O=C(O)C1CCCCCN1 MCULE-2741684183 [0,0,0,1,0,0|1,0,0]=2 797 B10R1.348 O=C(O)C1CCCCCN1 MCULE-7374703751 [0,0,0,1,0,0|1,0,0]=2 798 B10R1.348 O=C(O)C1CCCCNC1 MCULE-3392190626 [0,0,0,1,0,0|2,0,0]=3 799 B10R1.348 O=C(O)C1CCCCNC1 MCULE-7795043703 [0,0,0,1,0,0|2,0,0]=3 800 B10R1.348 O=C(O)C1CCCNCC1 MCULE-7690110773 [0,0,0,1,0,0|3,0,0]=4 801 B10R1.348 O=C(O)C1CCCNCC1 MCULE-9766781803 [0,0,0,1,0,0|3,0,0]=4 802 B10R1.348 O=C(O)C1CCCOCC1 MCULE-9318516869 [0,0,0,1,0,0|3,0,0]=4 803 B10R1.348 O=C(O)C1CNCCCN1 MCULE-3558230210 [0,0,0,1,0,0|2,0,0]=3 804 B10R1.348 O=C(O)C1CNCCCN1 MCULE-6835715048 [0,0,0,1,0,0|2,0,0]=3 805 B10R1.348 O=C(O)C1CNCCCO1 MCULE-2282415374 [0,0,0,1,0,0|3,0,0]=4 806 B10R1.348 O=C(O)C1CNCCCO1 MCULE-3064687044 [0,0,0,1,0,0|3,0,0]=4 807 B10R1.348 O=C(O)C1COCCOC1 MCULE-7686530449 [0,0,0,1,0,0|2,0,0]=3 808 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2016813857 [0,0,0,1,0,0|1,0,0]=2 809 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2504826586 [0,0,0,1,0,0|1,0,0]=2 810 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-4939523441 [0,0,0,1,0,0|1,0,0]=2 811 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-8497154031 [0,0,0,1,0,0|1,0,0]=2 812 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-1709248067 [0,0,0,1,0,0|1,0,0]=2 813 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4607599990 [0,0,0,1,0,0|1,0,0]=2 814 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4947785395 [0,0,0,1,0,0|1,0,0]=2 815 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-8502245212 [0,0,0,1,0,0|1,0,0]=2 816 B10R1.348 O=C(O)[C@H]1CCCNCC1 MCULE-2658567129 [0,0,0,1,0,0|3,0,0]=4 817 B10R1.363 CC(=O)C1(CCCCC1)Br MCULE-1087745376 [0,0,0,1,0,0|3,0,0]=4 818 B10R1.363 CC(=O)C1(CCCCC1)C MCULE-2400194377 [0,0,0,1,0,0|3,0,0]=4 819 B10R1.363 CC(=O)C1(CCCCC1)N MCULE-2403671270 [0,0,0,1,0,0|2,0,0]=3 820 B10R1.363 CC(=O)C1(CCCCC1)N MCULE-8220968252 [0,0,0,1,0,0|2,0,0]=3 821 B10R1.363 CC(=O)C1(CCCCC1)O MCULE-8708554984 [0,0,0,1,0,0|3,0,0]=4 822 B10R1.363 CC1(C=CCCC1)C(=O)O MCULE-7610148262 [0,0,0,1,0,0|2,0,1]=4 823 B10R1.363 CC1(CCCCC1)C(=O)Cl MCULE-2304699201 [0,0,0,1,0,0|3,0,0]=4 824 B10R1.363 CC1(CCCCC1)C(=O)N MCULE-2748976288 [0,0,0,1,0,0|3,0,0]=4 825 B10R1.363 CC1(CCCCC1)C(=O)O MCULE-8617368211 [0,0,0,1,0,0|2,0,0]=3 826 B10R1.363 CC1(CCCCN1)C(=O)N MCULE-5510028076 [0,0,0,1,0,0|3,0,0]=4 827 B10R1.363 CC1(CCCCN1)C(=O)N MCULE-9010382394 [0,0,0,1,0,0|3,0,0]=4 828 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-4353837718 [0,0,0,1,0,0|2,0,0]=3 829 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-5823768018 [0,0,0,1,0,0|2,0,0]=3 830 B10R1.363 CC1(CCCCO1)C(=O)O MCULE-8167039984 [0,0,0,1,0,0|1,0,0]=2 831 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-1830247756 [0,0,0,1,0,0|3,0,0]=4 832 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-4554317503 [0,0,0,1,0,0|3,0,0]=4 833 B10R1.363 CC1(CCCOC1)C(=O)O MCULE-3722771180 [0,0,0,1,0,0|3,0,0]=4 834 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-5925956345 [0,0,0,1,0,0|3,0,0]=4 835 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-9595642308 [0,0,0,1,0,0|3,0,0]=4 836 B10R1.363 CC1(CCOCC1)C(=O)O MCULE-6824729734 [0,0,0,1,0,0|3,0,0]=4 837 B10R1.363 CC1(CCSCC1)C(=O)O MCULE-4494370785 [0,0,0,1,0,0|3,0,0]=4 838 B10R1.363 CC1(CNCCO1)C(=O)N MCULE-9521473906 [0,0,0,1,0,0|3,0,0]=4 839 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-6864976931 [0,0,0,1,0,0|2,0,0]=3 840 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-7815848744 [0,0,0,1,0,0|2,0,0]=3 841 B10R1.363 CC1(COCCN1)C(=O)O MCULE-2577762263 [0,0,0,1,0,0|3,0,0]=4 842 B10R1.363 CC1(COCCN1)C(=O)O MCULE-4596611063 [0,0,0,1,0,0|3,0,0]=4 843 B10R1.363 CC1(COCCO1)C(=O)O MCULE-5074851185 [0,0,0,1,0,0|2,0,0]=3 844 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-2751244606 [0,0,0,1,0,0|2,0,0]=3 845 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-9588562839 [0,0,0,1,0,0|2,0,0]=3 846 B10R1.363 C[C@@]1(CCCCO1)C(=O)O MCULE-8351337180 [0,0,0,1,0,0|1,0,0]=2 847 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-2580172241 [0,0,0,1,0,0|3,0,0]=4 848 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-5735574050 [0,0,0,1,0,0|3,0,0]=4 849 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-6097682986 [0,0,0,1,0,0|3,0,0]=4 850 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-8361078667 [0,0,0,1,0,0|3,0,0]=4 851 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-2019738412 [0,0,0,1,0,0|2,0,0]=3 852 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-5663835052 [0,0,0,1,0,0|2,0,0]=3 853 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-8254704116 [0,0,0,1,0,0|2,0,0]=3 854 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-1520204390 [0,0,0,1,0,0|1,0,0]=2 855 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-5357080399 [0,0,0,1,0,0|1,0,0]=2 856 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-4789999853 [0,0,0,1,0,0|3,0,0]=4 857 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-5338426663 [0,0,0,1,0,0|3,0,0]=4 858 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-6021049561 [0,0,0,1,0,0|3,0,0]=4 859 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-7816386590 [0,0,0,1,0,0|3,0,0]=4 860 B10R1.363 NC(=O)C1(CCCCC1)N MCULE-9213834644 [0,0,0,1,0,0|2,0,0]=3 861 B10R1.363 NC(=O)C1(CCCCC1)O MCULE-9953817877 [0,0,0,1,0,0|3,0,0]=4 862 B10R1.363 NC(=O)C1(CCOCC1)N MCULE-2419590647 [0,0,0,1,0,0|3,0,0]=4 863 B10R1.363 NC(=O)C1(CCOCC1)N MCULE-4475585786 [0,0,0,1,0,0|3,0,0]=4 864 B10R1.363 NC(=O)C1(CCSCC1)N MCULE-4385733187 [0,0,0,1,0,0|3,0,0]=4 865 B10R1.363 NC1(CCCCC1)C(=O)O MCULE-9219404299 [0,0,0,1,0,0|1,0,0]=2 866 B10R1.363 NC1(CCCOC1)C(=O)O MCULE-7592747043 [0,0,0,1,0,0|2,0,0]=3 867 B10R1.363 NC1(CCCSC1)C(=O)O MCULE-5875012341 [0,0,0,1,0,0|2,0,0]=3 868 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-2468722313 [0,0,0,1,0,0|2,0,0]=3 869 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-4525710147 [0,0,0,1,0,0|2,0,0]=3 870 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-5856930946 [0,0,0,1,0,0|2,0,0]=3 871 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-8458518802 [0,0,0,1,0,0|2,0,0]=3 872 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-8720926076 [0,0,0,1,0,0|2,0,0]=3 873 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-9032013861 [0,0,0,1,0,0|2,0,0]=3 874 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-3400288648 [0,0,0,1,0,0|2,0,0]=3 875 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-7826194478 [0,0,0,1,0,0|2,0,0]=3 876 B10R1.363 O=C(Cl)C1(CCCCC1)Br MCULE-3943135228 [0,0,0,1,0,0|3,0,0]=4 877 B10R1.363 O=C(Cl)C1(CCCCC1)Cl MCULE-5594029874 [0,0,0,1,0,0|3,0,0]=4 878 B10R1.363 O=C(O)C1(CCCCC1)Br MCULE-4457572618 [0,0,0,1,0,0|2,0,0]=3 879 B10R1.363 O=C(O)C1(CCCCC1)Cl MCULE-9172453010 [0,0,0,1,0,0|2,0,0]=3 880 B10R1.363 O=C(O)C1(CCCCC1)F MCULE-6566089811 [0,0,0,1,0,0|2,0,0]=3 881 B10R1.363 O=C(O)C1(CCCCC1)O MCULE-8504861268 [0,0,0,1,0,0|2,0,0]=3 882 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-4880129058 [0,0,0,1,0,0|3,0,0]=4 883 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-9960592206 [0,0,0,1,0,0|3,0,0]=4 884 B10R1.363 O=C(O)C1(CCCOC1)F MCULE-8290066035 [0,0,0,1,0,0|3,0,0]=4 885 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-1312767997 [0,0,0,1,0,0|3,0,0]=4 886 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-5915477961 [0,0,0,1,0,0|3,0,0]=4 887 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-4619147711 [0,0,0,1,0,0|3,0,0]=4 888 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-6538244346 [0,0,0,1,0,0|3,0,0]=4 889 B10R1.363 O=C(O)C1(CCOCC1)F MCULE-7783441156 [0,0,0,1,0,0|3,0,0]=4 890 B10R1.363 O=C(O)C1(CCOCC1)O MCULE-4186201239 [0,0,0,1,0,0|3,0,0]=4 891 B10R1.363 O=C(O)C1(CCSCC1)O MCULE-8230713014 [0,0,0,1,0,0|3,0,0]=4 892 B10R1.363 [NH3+]C1(CCCCC1)C(=O)O MCULE-1248384499 [0,0,0,1,0,0|1,0,1]=3 893 B10R0.6 CCCCCC(C)CC(=O)C MCULE-9366517192 [0,0,0,0,0,1|3,0,0]=4 894 B10R0.6 CCCCCC(C)CC(=O)O MCULE-2066533125 [0,0,0,0,0,1|2,0,0]=3 895 B10R0.6 CCCCCC(C)OC(=O)Cl MCULE-6347220296 [0,0,0,0,0,1|3,0,0]=4 896 B10R0.6 CCCCCC(N)CC(=O)O MCULE-1332766356 [0,0,0,0,0,1|1,0,0]=2 897 B10R0.6 CCCCCC(N)CC(=O)O MCULE-6217126659 [0,0,0,0,0,1|1,0,0]=2 898 B10R0.6 CCCCCC(O)CC(=O)O MCULE-4825961688 [0,0,0,0,0,1|2,0,0]=3 899 B10R0.6 CCCCC[C@@H](O)CC(=O)O MCULE-2570880673 [0,0,0,0,0,1|2,0,0]=3 900 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-3222730819 [0,0,0,0,0,1|2,0,0]=3 901 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-6407518730 [0,0,0,0,0,1|2,0,0]=3 902 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-4895569973 [0,0,0,0,0,1|1,0,0]=2 903 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-7821167225 [0,0,0,0,0,1|1,0,0]=2 904 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-8763571530 [0,0,0,0,0,1|1,0,0]=2 905 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-9870503005 [0,0,0,0,0,1|1,0,0]=2 906 B7R0.1 C#CCCCCC=O MCULE-2019630243 [2,0,0,0,0,0|1,0,1]=4 907 B7R0.1 C#CCCCCCO MCULE-2909503471 [2,0,0,0,0,0|1,0,1]=4 908 B7R0.1 C=CCCCCC=O MCULE-6786275827 [2,0,0,0,0,0|1,0,1]=4 909 B7R0.1 C=CCCCCCBr MCULE-7782876660 [2,0,0,0,0,0|2,0,0]=4 910 B7R0.1 C=CCCCCCC MCULE-6867393536 [2,0,0,0,0,0|2,0,0]=4 911 B7R0.1 C=CCCCCCCl MCULE-2205880878 [2,0,0,0,0,0|2,0,0]=4 912 B7R0.1 C=CCCCCCI MCULE-1823596954 [2,0,0,0,0,0|2,0,0]=4 913 B7R0.1 C=CCCCCCN MCULE-2913783474 [2,0,0,0,0,0|2,0,0]=4 914 B7R0.1 C=CCCCCCN MCULE-9545708862 [2,0,0,0,0,0|2,0,0]=4 915 B7R0.1 C=CCCCCCO MCULE-1200112990 [2,0,0,0,0,0|1,0,0]=3 916 B7R0.1 C=CCCNCCO MCULE-8357008337 [2,0,0,0,0,0|2,0,0]=4 917 B7R0.1 C=CCCOCCO MCULE-5369849290 [2,0,0,0,0,0|2,0,0]=4 918 B7R0.1 C=COCCCCO MCULE-3537265926 [2,0,0,0,0,0|2,0,0]=4 919 B7R0.1 CC=CCCCCO MCULE-8707373340 [2,0,0,0,0,0|1,0,1]=4 920 B7R0.1 CCCCCCC=O MCULE-5251820425 [2,0,0,0,0,0|1,0,0]=3 921 B7R0.1 CCCCCCCO MCULE-5882959353 [2,0,0,0,0,0|1,0,1]=4 922 B7R0.1 CCCCCCNO MCULE-4175875706 [2,0,0,0,0,0|2,0,0]=4 923 B7R0.1 CCCCCCNO MCULE-8719557426 [2,0,0,0,0,0|2,0,0]=4 924 B7R0.1 CCCCCOC=O MCULE-2718009140 [2,0,0,0,0,0|2,0,0]=4 925 B7R0.1 CNCCCCCO MCULE-2988249730 [2,0,0,0,0,0|2,0,0]=4 926 B7R0.1 CNCCCCCO MCULE-8033733525 [2,0,0,0,0,0|2,0,0]=4 927 B7R0.1 COCCCCCO MCULE-6003118644 [2,0,0,0,0,0|2,0,0]=4 928 B7R0.1 CSCCCCCO MCULE-3422729293 [2,0,0,0,0,0|2,0,0]=4 929 B7R0.1 NCCCCCCO MCULE-2264326846 [2,0,0,0,0,0|1,0,1]=4 930 B7R0.1 O=CCCCCC=O MCULE-3751145550 [2,0,0,0,0,0|0,0,2]=4 931 B7R0.1 O=CCCCCCBr MCULE-7014516847 [2,0,0,0,0,0|1,0,0]=3 932 B7R0.1 O=CCCCCCCl MCULE-8269912560 [2,0,0,0,0,0|1,0,0]=3 933 B7R0.1 O=CCCCCCF MCULE-8174281286 [2,0,0,0,0,0|1,0,0]=3 934 B7R0.1 O=CCCCCCO MCULE-3978349845 [2,0,0,0,0,0|0,0,0]=2 935 B7R0.1 O=CCCCCCO MCULE-4997016680 [2,0,0,0,0,0|0,0,0]=2 936 B7R0.1 OCCCCCCBr MCULE-3500356936 [2,0,0,0,0,0|1,0,1]=4 937 B7R0.1 OCCCCCCCl MCULE-4507452440 [2,0,0,0,0,0|1,0,1]=4 938 B7R0.1 OCCCCCCF MCULE-7082491218 [2,0,0,0,0,0|1,0,1]=4 939 B7R0.1 OCCCCCCI MCULE-3710706648 [2,0,0,0,0,0|1,0,1]=4 940 B7R0.1 OCCCCCCO MCULE-8817570517 [2,0,0,0,0,0|0,0,1]=3 941 B7R0.1 OCCCCCCS MCULE-9135853131 [2,0,0,0,0,0|0,1,1]=4 942 B7R0.1 OCCCNCCO MCULE-1959450493 [2,0,0,0,0,0|1,0,1]=4 943 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [2,0,0,0,0,0|1,0,1]=4 944 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [2,0,0,0,0,0|2,0,0]=4 945 B7R0.3 CC(CO)CCCO MCULE-8589885622 [2,0,0,0,0,0|1,0,1]=4 946 B7R0.3 CCC(N)CCCO MCULE-3868205501 [2,0,0,0,0,0|1,0,1]=4 947 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [2,0,0,0,0,0|1,0,1]=4 948 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [2,0,0,0,0,0|1,0,0]=3 949 B7R0.3 CCCCC(N)CC MCULE-1353863738 [2,0,0,0,0,0|1,0,1]=4 950 B7R0.3 CCCCC(N)CC MCULE-9870475040 [2,0,0,0,0,0|1,0,1]=4 951 B7R0.3 CCCCC(N)CN MCULE-2038464943 [2,0,0,0,0,0|1,0,1]=4 952 B7R0.3 CCCCC(N)CO MCULE-1874423109 [2,0,0,0,0,0|0,0,1]=3 953 B7R0.3 CCCCC(N)CO MCULE-2041767659 [2,0,0,0,0,0|0,0,1]=3 954 B7R0.3 CCCCC(N)CO MCULE-4533575851 [2,0,0,0,0,0|0,0,1]=3 955 B7R0.3 CCCCC(N)CO MCULE-7141990411 [2,0,0,0,0,0|0,0,1]=3 956 B7R0.3 CCCCC(O)CO MCULE-6903923961 [2,0,0,0,0,0|1,0,1]=4 957 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [2,0,0,0,0,0|0,0,1]=3 958 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [2,0,0,0,0,0|0,0,1]=3 959 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [2,0,0,0,0,0|0,0,1]=3 960 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [2,0,0,0,0,0|0,0,1]=3 961 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [2,0,0,0,0,0|1,0,0]=3 962 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [2,0,0,0,0,0|0,0,1]=3 963 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [2,0,0,0,0,0|0,0,1]=3 964 B7R0.3 CCOCC(N)CO MCULE-8546500751 [2,0,0,0,0,0|1,0,1]=4 965 B7R0.3 COCCC(N)CO MCULE-9758817920 [2,0,0,0,0,0|1,0,1]=4 966 B7R0.3 CSCCC(N)CO MCULE-1688371230 [2,0,0,0,0,0|1,0,1]=4 967 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [2,0,0,0,0,0|1,0,1]=4 968 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [2,0,0,0,0,0|1,0,1]=4 969 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [2,0,0,0,0,0|1,0,1]=4 970 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [2,0,0,0,0,0|1,0,1]=4 971 B7R0.3 OCCCC(O)CO MCULE-3529953491 [2,0,0,0,0,0|1,0,1]=4 972 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [2,0,0,0,0,0|0,0,2]=4 973 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [2,0,0,0,0,0|0,0,2]=4 974 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [2,0,0,0,0,0|0,0,2]=4 975 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [2,0,0,0,0,0|2,0,0]=4 976 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [2,0,0,0,0,0|2,0,0]=4 977 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [2,0,0,0,0,0|2,0,0]=4 978 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [2,0,0,0,0,0|0,0,2]=4 979 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [2,0,0,0,0,0|0,0,2]=4 980 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [2,0,0,0,0,0|2,0,0]=4 981 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [2,0,0,0,0,0|2,0,0]=4 982 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [2,0,0,0,0,0|1,0,0]=3 983 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [2,0,0,0,0,0|2,0,0]=4 984 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [2,0,0,0,0,0|2,0,0]=4 985 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [2,0,0,0,0,0|2,0,0]=4 986 B7R0.4 CC(Br)CCCCO MCULE-2106751856 [2,0,0,0,0,0|1,0,1]=4 987 B7R0.4 CC(C)CCCCO MCULE-9053698607 [2,0,0,0,0,0|1,0,1]=4 988 B7R0.4 CC(N)CCCCN MCULE-3497267062 [2,0,0,0,0,0|1,0,1]=4 989 B7R0.4 CC(N)CCCCN MCULE-9887360104 [2,0,0,0,0,0|1,0,1]=4 990 B7R0.4 CC(N)CCCCO MCULE-7039935081 [2,0,0,0,0,0|0,0,1]=3 991 B7R0.4 CC(N)CCCCO MCULE-8167834378 [2,0,0,0,0,0|0,0,1]=3 992 B7R0.4 CC(O)CCCCO MCULE-3790969400 [2,0,0,0,0,0|1,0,0]=3 993 B7R0.4 CC(O)CNCCO MCULE-4873845500 [2,0,0,0,0,0|2,0,0]=4 994 B7R0.4 CC(O)CSCCO MCULE-8885458360 [2,0,0,0,0,0|2,0,0]=4 995 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [2,0,0,0,0,0|0,0,2]=4 996 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [2,0,0,0,0,0|0,0,2]=4 997 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [2,0,0,0,0,0|0,0,2]=4 998 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [2,0,0,0,0,0|0,0,2]=4 999 B7R0.4 CCCCCB(O)O MCULE-3441747739 [2,0,0,0,0,0|1,0,1]=4 1000 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [2,0,0,0,0,0|2,0,0]=4 1001 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [2,0,0,0,0,0|2,0,0]=4 1002 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [2,0,0,0,0,0|1,0,0]=3 1003 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [2,0,0,0,0,0|1,0,0]=3 1004 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [2,0,0,0,0,0|1,0,0]=3 1005 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [2,0,0,0,0,0|0,0,0]=2 1006 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [2,0,0,0,0,0|0,0,1]=3 1007 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [2,0,0,0,0,0|0,0,1]=3 1008 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [2,0,0,0,0,0|1,1,0]=4 1009 B7R0.4 CCCCCC(C)N MCULE-1307982487 [2,0,0,0,0,0|1,0,1]=4 1010 B7R0.4 CCCCCC(C)N MCULE-8625441795 [2,0,0,0,0,0|1,0,1]=4 1011 B7R0.4 CCCCCC(C)N MCULE-9791654909 [2,0,0,0,0,0|1,0,1]=4 1012 B7R0.4 CCCCCC(C)O MCULE-2463855771 [2,0,0,0,0,0|1,0,1]=4 1013 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [2,0,0,0,0,0|1,0,1]=4 1014 B7R0.4 CCCCC[C@@H](C)N MCULE-2460238945 [2,0,0,0,0,0|1,0,1]=4 1015 B7R0.4 CCCCC[C@@H](C)N MCULE-6386771130 [2,0,0,0,0,0|1,0,1]=4 1016 B7R0.4 CCCCC[C@@H](C)N MCULE-6470246577 [2,0,0,0,0,0|1,0,1]=4 1017 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [2,0,0,0,0,0|1,0,1]=4 1018 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [2,0,0,0,0,0|1,0,1]=4 1019 B7R0.4 CCCCC[C@H](C)N MCULE-8119988811 [2,0,0,0,0,0|1,0,1]=4 1020 B7R0.4 CCCCC[C@H](C)N MCULE-9987283826 [2,0,0,0,0,0|1,0,1]=4 1021 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [2,0,0,0,0,0|1,0,1]=4 1022 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [2,0,0,0,0,0|1,0,1]=4 1023 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [2,0,0,0,0,0|2,0,0]=4 1024 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [2,0,0,0,0,0|2,0,0]=4 1025 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [2,0,0,0,0,0|2,0,0]=4 1026 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [2,0,0,0,0,0|2,0,0]=4 1027 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [2,0,0,0,0,0|2,0,0]=4 1028 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [2,0,0,0,0,0|2,0,0]=4 1029 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [2,0,0,0,0,0|2,0,0]=4 1030 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [2,0,0,0,0,0|2,0,0]=4 1031 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [2,0,0,0,0,0|2,0,0]=4 1032 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [2,0,0,0,0,0|2,0,0]=4 1033 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [2,0,0,0,0,0|1,0,0]=3 1034 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [2,0,0,0,0,0|1,0,0]=3 1035 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [2,0,0,0,0,0|1,0,0]=3 1036 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [2,0,0,0,0,0|2,0,0]=4 1037 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [2,0,0,0,0,0|1,0,0]=3 1038 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [2,0,0,0,0,0|2,0,0]=4 1039 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [2,0,0,0,0,0|2,0,0]=4 1040 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [2,0,0,0,0,0|1,0,0]=3 1041 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [2,0,0,0,0,0|1,0,0]=3 1042 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [2,0,0,0,0,0|2,0,0]=4 1043 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [2,0,0,0,0,0|2,0,0]=4 1044 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [2,0,0,0,0,0|1,0,0]=3 1045 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [2,0,0,0,0,0|1,0,0]=3 1046 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [2,0,0,0,0,0|2,0,0]=4 1047 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [2,0,0,0,0,0|2,0,0]=4 1048 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [2,0,0,0,0,0|1,0,0]=3 1049 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [2,0,0,0,0,0|1,0,0]=3 1050 B7R0.4 COCCCC(=O)C MCULE-3606369396 [2,0,0,0,0,0|2,0,0]=4 1051 B7R0.4 COCCCC(=O)O MCULE-3165881573 [2,0,0,0,0,0|1,0,0]=3 1052 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [2,0,0,0,0,0|1,0,0]=3 1053 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [2,0,0,0,0,0|2,0,0]=4 1054 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [2,0,0,0,0,0|1,0,1]=4 1055 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [2,0,0,0,0,0|1,0,1]=4 1056 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [2,0,0,0,0,0|1,0,1]=4 1057 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [2,0,0,0,0,0|0,0,1]=3 1058 B7R0.4 NC(=O)COCCO MCULE-3158372920 [2,0,0,0,0,0|1,0,1]=4 1059 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [2,0,0,0,0,0|1,0,1]=4 1060 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [2,0,0,0,0,0|1,0,1]=4 1061 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [2,0,0,0,0,0|1,0,1]=4 1062 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [2,0,0,0,0,0|1,0,1]=4 1063 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [2,0,0,0,0,0|1,0,0]=3 1064 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [2,0,0,0,0,0|1,0,0]=3 1065 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [2,0,0,0,0,0|1,0,0]=3 1066 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [2,0,0,0,0,0|1,0,0]=3 1067 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [2,0,0,0,0,0|2,0,0]=4 1068 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [2,0,0,0,0,0|2,0,0]=4 1069 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [2,0,0,0,0,0|2,0,0]=4 1070 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [2,0,0,0,0,0|2,0,0]=4 1071 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [2,0,0,0,0,0|2,0,0]=4 1072 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [2,0,0,0,0,0|2,0,0]=4 1073 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [2,0,0,0,0,0|2,0,0]=4 1074 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [2,0,0,0,0,0|2,0,0]=4 1075 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [2,0,0,0,0,0|2,0,0]=4 1076 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [2,0,0,0,0,0|2,0,0]=4 1077 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [2,0,0,0,0,0|2,0,0]=4 1078 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [2,0,0,0,0,0|0,0,2]=4 1079 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [2,0,0,0,0,0|1,0,0]=3 1080 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [2,0,0,0,0,0|1,0,0]=3 1081 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [2,0,0,0,0,0|0,0,0]=2 1082 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [2,0,0,0,0,0|0,1,0]=3 1083 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [2,0,0,0,0,0|1,0,0]=3 1084 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [2,0,0,0,0,0|2,0,0]=4 1085 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [2,0,0,0,0,0|2,0,0]=4 1086 B7R0.4 O=C(O)COCCF MCULE-9820799514 [2,0,0,0,0,0|2,0,0]=4 1087 B7R0.4 O=C(O)COCCO MCULE-8297137880 [2,0,0,0,0,0|1,0,0]=3 1088 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [2,0,0,0,0,0|2,0,0]=4 1089 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [2,0,0,0,0,0|1,0,0]=3 1090 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [2,0,0,0,0,0|0,0,1]=3 1091 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [2,0,0,0,0,0|1,0,1]=4 1092 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [2,0,0,0,0,0|0,0,2]=4 1093 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [2,0,0,0,0,0|1,0,1]=4 1094 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [2,0,0,0,0,0|0,0,2]=4 1095 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [2,0,0,0,0,0|0,0,2]=4 1096 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [2,0,0,0,0,0|0,0,2]=4 1097 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [2,0,0,0,0,0|0,0,2]=4 1098 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [2,0,0,0,0,0|0,0,2]=4 1099 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [2,0,0,0,0,0|0,0,2]=4 1100 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [2,0,0,0,0,0|0,0,2]=4 1101 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [2,0,0,0,0,0|0,0,2]=4 1102 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [2,0,0,0,0,0|0,0,2]=4 1103 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [2,0,0,0,0,0|0,0,2]=4 1104 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [2,0,0,0,0,0|0,0,2]=4 1105 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [2,0,0,0,0,0|0,0,2]=4 1106 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [2,0,0,0,0,0|1,0,1]=4 1107 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [2,0,0,0,0,0|1,0,1]=4 1108 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [2,0,0,0,0,0|0,0,2]=4 1109 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [2,0,0,0,0,0|0,0,2]=4 1110 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [2,0,0,0,0,0|0,0,2]=4 1111 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [2,0,0,0,0,0|0,0,2]=4 1112 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [2,0,0,0,0,0|0,0,2]=4 1113 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [2,0,0,0,0,0|0,0,2]=4 1114 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [2,0,0,0,0,0|0,0,2]=4 1115 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [2,0,0,0,0,0|0,0,2]=4 1116 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [2,0,0,0,0,0|0,0,2]=4 1117 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [2,0,0,0,0,0|0,0,2]=4 1118 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [2,0,0,0,0,0|0,0,2]=4 1119 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [2,0,0,0,0,0|0,0,2]=4 1120 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [2,0,0,0,0,0|2,0,0]=4 1121 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [2,0,0,0,0,0|2,0,0]=4 1122 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [2,0,0,0,0,0|2,0,0]=4 1123 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [2,0,0,0,0,0|2,0,0]=4 1124 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [2,0,0,0,0,0|2,0,0]=4 1125 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [2,0,0,0,0,0|1,0,0]=3 1126 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [2,0,0,0,0,0|1,0,1]=4 1127 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [2,0,0,0,0,0|1,0,1]=4 1128 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [2,0,0,0,0,0|2,0,0]=4 1129 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [2,0,0,0,0,0|1,0,0]=3 1130 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [2,0,0,0,0,0|2,0,0]=4 1131 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [2,0,0,0,0,0|2,0,0]=4 1132 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [2,0,0,0,0,0|2,0,0]=4 1133 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [2,0,0,0,0,0|1,0,0]=3 1134 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [2,0,0,0,0,0|1,0,0]=3 1135 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [2,0,0,0,0,0|1,0,0]=3 1136 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [2,0,0,0,0,0|1,0,0]=3 1137 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [2,0,0,0,0,0|1,0,0]=3 1138 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [2,0,0,0,0,0|0,0,0]=2 1139 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [2,0,0,0,0,0|0,0,0]=2 1140 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [2,0,0,0,0,0|0,0,0]=2 1141 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [2,0,0,0,0,0|2,0,0]=4 1142 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [2,0,0,0,0,0|1,0,0]=3 1143 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [2,0,0,0,0,0|1,0,0]=3 1144 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [2,0,0,0,0,0|0,0,0]=2 1145 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [2,0,0,0,0,0|0,0,0]=2 1146 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [2,0,0,0,0,0|1,0,0]=3 1147 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [2,0,0,0,0,0|1,0,0]=3 1148 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [2,0,0,0,0,0|1,0,0]=3 1149 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [2,0,0,0,0,0|1,0,0]=3 1150 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [2,0,0,0,0,0|1,0,0]=3 1151 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [2,0,0,0,0,0|1,0,0]=3 1152 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [2,0,0,0,0,0|0,0,0]=2 1153 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [2,0,0,0,0,0|0,0,0]=2 1154 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [2,0,0,0,0,0|0,0,0]=2 1155 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [2,0,0,0,0,0|1,0,0]=3 1156 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [2,0,0,0,0,0|1,0,0]=3 1157 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [2,0,0,0,0,0|2,0,0]=4 1158 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [2,0,0,0,0,0|2,0,0]=4 1159 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [2,0,0,0,0,0|2,0,0]=4 1160 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [2,0,0,0,0,0|2,0,0]=4 1161 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [2,0,0,0,0,0|2,0,0]=4 1162 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [2,0,0,0,0,0|2,0,0]=4 1163 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [2,0,0,0,0,0|2,0,0]=4 1164 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [2,0,0,0,0,0|1,0,0]=3 1165 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [2,0,0,0,0,0|1,0,0]=3 1166 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [2,0,0,0,0,0|1,0,0]=3 1167 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [2,0,0,0,0,0|1,0,0]=3 1168 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [2,0,0,0,0,0|1,0,0]=3 1169 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [2,0,0,0,0,0|1,0,0]=3 1170 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [2,0,0,0,0,0|2,0,0]=4 1171 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [2,0,0,0,0,0|2,0,0]=4 1172 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [2,0,0,0,0,0|2,0,0]=4 1173 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [2,0,0,0,0,0|2,0,0]=4 1174 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [2,0,0,0,0,0|2,0,0]=4 1175 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [2,0,0,0,0,0|1,0,0]=3 1176 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [2,0,0,0,0,0|1,0,0]=3 1177 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [2,0,0,0,0,0|1,0,0]=3 1178 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [2,0,0,0,0,0|1,0,0]=3 1179 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [2,0,0,0,0,0|2,0,0]=4 1180 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [2,0,0,0,0,0|1,0,0]=3 1181 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [2,0,0,0,0,0|1,0,0]=3 1182 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [2,0,0,0,0,0|1,0,0]=3 1183 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [2,0,0,0,0,0|1,0,0]=3 1184 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [2,0,0,0,0,0|1,0,0]=3 1185 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [2,0,0,0,0,0|1,0,0]=3 1186 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [2,0,0,0,0,0|1,0,0]=3 1187 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [2,0,0,0,0,0|1,0,0]=3 1188 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [2,0,0,0,0,0|2,0,0]=4 1189 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [2,0,0,0,0,0|1,0,0]=3 1190 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [2,0,0,0,0,0|1,0,0]=3 1191 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [2,0,0,0,0,0|1,0,0]=3 1192 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [2,0,0,0,0,0|1,1,0]=4 1193 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [2,0,0,0,0,0|1,0,0]=3 1194 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [2,0,0,0,0,0|1,0,0]=3 1195 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [2,0,0,0,0,0|1,0,0]=3 1196 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [2,0,0,0,0,0|1,0,0]=3 1197 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [2,0,0,0,0,0|1,0,0]=3 1198 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [2,0,0,0,0,0|1,0,0]=3 1199 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [2,0,0,0,0,0|1,0,1]=4 1200 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [2,0,0,0,0,0|1,0,1]=4 1201 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [2,0,0,0,0,0|1,0,1]=4 1202 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [2,0,0,0,0,0|1,0,0]=3 1203 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [2,0,0,0,0,0|1,0,0]=3 1204 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [2,0,0,0,0,0|1,0,0]=3 1205 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [2,0,0,0,0,0|1,0,0]=3 1206 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [2,0,0,0,0,0|0,0,0]=2 1207 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [2,0,0,0,0,0|0,0,0]=2 1208 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [2,0,0,0,0,0|0,1,0]=3 1209 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [2,0,0,0,0,0|0,1,0]=3 1210 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [2,0,0,0,0,0|1,0,0]=3 1211 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [2,0,0,0,0,0|2,0,0]=4 1212 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [2,0,0,0,0,0|2,0,0]=4 1213 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [2,0,0,0,0,0|1,0,0]=3 1214 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [2,0,0,0,0,0|1,0,0]=3 1215 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [2,0,0,0,0,0|1,0,0]=3 1216 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [2,0,0,0,0,0|1,0,0]=3 1217 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [2,0,0,0,0,0|1,0,0]=3 1218 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [2,0,0,0,0,0|1,0,0]=3 1219 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [2,0,0,0,0,0|1,0,0]=3 1220 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [2,0,0,0,0,0|2,0,0]=4 1221 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [2,0,0,0,0,0|2,0,0]=4 1222 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [2,0,0,0,0,0|1,0,0]=3 1223 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [2,0,0,0,0,0|1,0,0]=3 1224 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [2,0,0,0,0,0|1,0,0]=3 1225 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [2,0,0,0,0,0|1,0,0]=3 1226 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [2,0,0,0,0,0|2,0,0]=4 1227 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [2,0,0,0,0,0|1,0,0]=3 1228 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [2,0,0,0,0,0|1,0,0]=3 1229 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [2,0,0,0,0,0|1,0,0]=3 1230 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [2,0,0,0,0,0|1,0,0]=3 1231 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [2,0,0,0,0,0|1,0,0]=3 1232 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [2,0,0,0,0,0|1,0,0]=3 1233 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [2,0,0,0,0,0|1,0,0]=3 1234 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [2,0,0,0,0,0|1,0,0]=3 1235 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [2,0,0,0,0,0|1,0,0]=3 1236 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [2,0,0,0,0,0|2,0,0]=4 1237 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [2,0,0,0,0,0|2,0,0]=4 1238 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [2,0,0,0,0,0|2,0,0]=4 1239 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [2,0,0,0,0,0|1,0,0]=3 1240 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [2,0,0,0,0,0|1,0,0]=3 1241 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [2,0,0,0,0,0|1,0,0]=3 1242 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [2,0,0,0,0,0|1,0,0]=3 1243 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [2,0,0,0,0,0|0,0,0]=2 1244 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [2,0,0,0,0,0|0,0,0]=2 1245 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [2,0,0,0,0,0|0,1,0]=3 1246 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [2,0,0,0,0,0|0,1,0]=3 1247 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [2,0,0,0,0,0|1,1,0]=4 1248 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [2,0,0,0,0,0|1,0,0]=3 1249 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [2,0,0,0,0,0|1,0,0]=3 1250 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [2,0,0,0,0,0|0,0,0]=2 1251 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [2,0,0,0,0,0|0,0,0]=2 1252 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [2,0,0,0,0,0|0,1,0]=3 1253 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [2,0,0,0,0,0|0,1,0]=3 1254 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [2,0,0,0,0,0|2,0,0]=4 1255 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [2,0,0,0,0,0|1,0,0]=3 1256 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [2,0,0,0,0,0|0,0,2]=4 1257 B9R0.5 CCCCCC(C)CC=O MCULE-4528527314 [1,1,0,0,0,0|2,0,0]=4 1258 B9R0.20 CCCCCC(C)(C)C=O MCULE-9322679488 [1,1,0,0,0,0|2,0,0]=4 1259 B9R0.46 CCCCCCC(C)C=O MCULE-4073561137 [1,1,0,0,0,0|2,0,0]=4 1260 B9R0.46 CCCCCCC(Cl)C=O MCULE-9755396866 [1,1,0,0,0,0|2,0,0]=4 1261 B9R0.46 OCCCCCC(O)CO MCULE-1241763539 [1,1,0,0,0,0|1,0,1]=4 1262 B9R0.50 CCCCCC(C=O)CC MCULE-2036961521 [1,1,0,0,0,0|2,0,0]=4 1263 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [1,1,0,0,0,0|1,0,0]=3 1264 B9R0.2 C=CCCCCCC(=O)C MCULE-7133840219 [1,1,0,0,0,0|2,0,0]=4 1265 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [1,1,0,0,0,0|1,0,0]=3 1266 B9R0.2 C=CCOCCCC(=O)O MCULE-5276221892 [1,1,0,0,0,0|1,0,1]=4 1267 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [1,1,0,0,0,0|2,0,0]=4 1268 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [1,1,0,0,0,0|2,0,0]=4 1269 B9R0.2 CC(=O)NCCCCCCl MCULE-9253955715 [1,1,0,0,0,0|2,0,0]=4 1270 B9R0.2 CC(=O)NCCCCCN MCULE-6340089295 [1,1,0,0,0,0|2,0,0]=4 1271 B9R0.2 CC(=O)NCCCCCN MCULE-9533682248 [1,1,0,0,0,0|2,0,0]=4 1272 B9R0.2 CC(=O)NCCOCCO MCULE-4601425982 [1,1,0,0,0,0|2,0,0]=4 1273 B9R0.2 CC(=O)OCCCCCBr MCULE-2710815321 [1,1,0,0,0,0|2,0,0]=4 1274 B9R0.2 CC(=O)OCCCCCCl MCULE-4259346820 [1,1,0,0,0,0|2,0,0]=4 1275 B9R0.2 CC(=O)OCCOCCO MCULE-1731179198 [1,1,0,0,0,0|2,0,0]=4 1276 B9R0.2 CC(=O)SCCCCCBr MCULE-3706830993 [1,1,0,0,0,0|2,0,0]=4 1277 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [1,1,0,0,0,0|1,0,1]=4 1278 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [1,1,0,0,0,0|1,0,1]=4 1279 B9R0.2 CCCCC#CCC(=O)O MCULE-2685341100 [1,1,0,0,0,0|1,0,1]=4 1280 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [1,1,0,0,0,0|1,0,1]=4 1281 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [1,1,0,0,0,0|1,0,1]=4 1282 B9R0.2 CCCCCC#CC(=O)O MCULE-1860076106 [1,1,0,0,0,0|1,0,1]=4 1283 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [1,1,0,0,0,0|1,0,1]=4 1284 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [1,1,0,0,0,0|2,0,0]=4 1285 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [1,1,0,0,0,0|2,0,0]=4 1286 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [1,1,0,0,0,0|2,0,0]=4 1287 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [1,1,0,0,0,0|1,0,0]=3 1288 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [1,1,0,0,0,0|1,0,1]=4 1289 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [1,1,0,0,0,0|1,0,1]=4 1290 B9R0.2 CCCCCCNC(=O)N MCULE-4236638652 [1,1,0,0,0,0|2,0,0]=4 1291 B9R0.2 CCCCCCOC(=O)C MCULE-7353613022 [1,1,0,0,0,0|2,0,0]=4 1292 B9R0.2 CCCCCCOC(=O)Cl MCULE-3135055168 [1,1,0,0,0,0|2,0,0]=4 1293 B9R0.2 CCCCCCOC(=O)N MCULE-3909923308 [1,1,0,0,0,0|2,0,0]=4 1294 B9R0.2 CCCCCNCC(=O)N MCULE-1817354788 [1,1,0,0,0,0|2,0,0]=4 1295 B9R0.2 CCCCCNCC(=O)N MCULE-5558188497 [1,1,0,0,0,0|2,0,0]=4 1296 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [1,1,0,0,0,0|1,0,0]=3 1297 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [1,1,0,0,0,0|1,0,0]=3 1298 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [1,1,0,0,0,0|1,0,0]=3 1299 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [1,1,0,0,0,0|1,0,0]=3 1300 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [1,1,0,0,0,0|1,0,0]=3 1301 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [1,1,0,0,0,0|1,0,0]=3 1302 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [1,1,0,0,0,0|1,0,0]=3 1303 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [1,1,0,0,0,0|1,0,0]=3 1304 B9R0.2 CCOCCOCC(=O)O MCULE-2273372397 [1,1,0,0,0,0|2,0,0]=4 1305 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [1,1,0,0,0,0|1,0,0]=3 1306 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [1,1,0,0,0,0|2,0,0]=4 1307 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [1,1,0,0,0,0|0,0,0]=2 1308 B9R0.2 COCCCCOC(=O)C MCULE-4352807618 [1,1,0,0,0,0|2,0,0]=4 1309 B9R0.2 COCCCOCC(=O)O MCULE-7774967166 [1,1,0,0,0,0|1,0,0]=3 1310 B9R0.2 COCCNCCC(=O)N MCULE-2441989659 [1,1,0,0,0,0|2,0,0]=4 1311 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [1,1,0,0,0,0|1,0,0]=3 1312 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [1,1,0,0,0,0|1,0,0]=3 1313 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [1,1,0,0,0,0|0,1,0]=3 1314 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [1,1,0,0,0,0|1,0,0]=3 1315 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [1,1,0,0,0,0|1,0,0]=3 1316 B9R0.2 N#CCCNCCC(=O)O MCULE-5749626028 [1,1,0,0,0,0|1,0,1]=4 1317 B9R0.2 N#N=NCCCCC(=O)O MCULE-6676414217 [1,1,0,0,0,0|2,0,0]=4 1318 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [1,1,0,0,0,0|1,0,0]=3 1319 B9R0.2 NC(=O)CCNCCCO MCULE-1089880795 [1,1,0,0,0,0|1,0,0]=3 1320 B9R0.2 NC(=O)CCNCCCO MCULE-8808474432 [1,1,0,0,0,0|1,0,0]=3 1321 B9R0.2 NC(=O)NCCOCCO MCULE-5514708038 [1,1,0,0,0,0|2,0,0]=4 1322 B9R0.2 NCCCCCCC(=O)N MCULE-9587339996 [1,1,0,0,0,0|2,0,0]=4 1323 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [1,1,0,0,0,0|1,0,0]=3 1324 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [1,1,0,0,0,0|1,0,0]=3 1325 B9R0.2 NCCSSCCC(=O)O MCULE-2378332819 [1,1,0,0,0,0|2,0,0]=4 1326 B9R0.2 NCCSSCCC(=O)O MCULE-4249865017 [1,1,0,0,0,0|2,0,0]=4 1327 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [1,1,0,0,0,0|0,0,0]=2 1328 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [1,1,0,0,0,0|0,0,0]=2 1329 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [1,1,0,0,0,0|0,0,0]=2 1330 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [1,1,0,0,0,0|1,0,0]=3 1331 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [1,1,0,0,0,0|1,0,0]=3 1332 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [1,1,0,0,0,0|0,0,0]=2 1333 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [1,1,0,0,0,0|0,1,0]=3 1334 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [1,1,0,0,0,0|0,0,0]=2 1335 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [1,1,0,0,0,0|0,0,0]=2 1336 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [1,1,0,0,0,0|0,0,1]=3 1337 B9R0.2 O=N(=O)CCCCCCO MCULE-4612254871 [1,1,0,0,0,0|1,0,1]=4 1338 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [1,1,0,0,0,0|1,0,1]=4 1339 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [1,1,0,0,0,0|1,0,1]=4 1340 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [1,1,0,0,0,0|1,0,0]=3 1341 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [1,1,0,0,0,0|1,0,0]=3 1342 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [1,1,0,0,0,0|1,0,0]=3 1343 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [1,1,0,0,0,0|1,0,0]=3 1344 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [1,1,0,0,0,0|1,0,0]=3 1345 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [1,1,0,0,0,0|1,0,0]=3 1346 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [1,1,0,0,0,0|1,0,0]=3 1347 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [1,1,0,0,0,0|1,0,0]=3 1348 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [1,1,0,0,0,0|2,0,0]=4 1349 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [1,1,0,0,0,0|2,0,0]=4 1350 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [1,1,0,0,0,0|2,0,0]=4 1351 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [1,1,0,0,0,0|2,0,0]=4 1352 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [1,1,0,0,0,0|2,0,0]=4 1353 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [1,1,0,0,0,0|2,0,0]=4 1354 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [1,1,0,0,0,0|2,0,0]=4 1355 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [1,1,0,0,0,0|2,0,0]=4 1356 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [1,1,0,0,0,0|2,0,0]=4 1357 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [1,1,0,0,0,0|2,0,0]=4 1358 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [1,1,0,0,0,0|2,0,0]=4 1359 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [1,1,0,0,0,0|1,0,0]=3 1360 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [1,1,0,0,0,0|1,0,0]=3 1361 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [1,1,0,0,0,0|1,0,0]=3 1362 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [1,1,0,0,0,0|1,0,0]=3 1363 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [1,1,0,0,0,0|1,0,0]=3 1364 B9R0.38 CCCCCCP(=O)(O)O MCULE-9622755834 [1,1,0,0,0,0|2,0,0]=4 1365 B9R0.38 CCCCCCS(=O)(=O)O MCULE-4883139983 [1,1,0,0,0,0|2,0,0]=4 1366 B9R0.38 CS(=O)(=O)CCCCCO MCULE-8167550516 [1,1,0,0,0,0|1,0,1]=4 1367 B9R0.38 NCCCCCS(=O)(=O)O MCULE-7296557430 [1,1,0,0,0,0|2,0,0]=4 1368 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [1,1,0,0,0,0|1,0,1]=4 1369 B9R0.48 CCCC(C)CCC(=O)C MCULE-1446034135 [1,1,0,0,0,0|2,0,0]=4 1370 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [1,1,0,0,0,0|1,0,0]=3 1371 B9R0.48 CCCC(Cl)CCC(=O)Cl MCULE-1887322362 [1,1,0,0,0,0|2,0,0]=4 1372 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [1,1,0,0,0,0|1,0,0]=3 1373 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [1,1,0,0,0,0|1,0,0]=3 1374 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [1,1,0,0,0,0|2,0,0]=4 1375 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [1,1,0,0,0,0|2,0,0]=4 1376 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [1,1,0,0,0,0|1,0,0]=3 1377 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [1,1,0,0,0,0|1,0,1]=4 1378 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [1,1,0,0,0,0|1,0,1]=4 1379 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [1,1,0,0,0,0|1,0,1]=4 1380 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [1,1,0,0,0,0|0,0,2]=4 1381 B9R0.55 CC(=O)CCCCC(C)C MCULE-8847308651 [1,1,0,0,0,0|2,0,0]=4 1382 B9R0.55 CC(C)CCCCC(=O)N MCULE-5796308812 [1,1,0,0,0,0|2,0,0]=4 1383 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [1,1,0,0,0,0|1,0,0]=3 1384 B9R0.55 CC(C)CCOCC(=O)O MCULE-8263995178 [1,1,0,0,0,0|2,0,0]=4 1385 B9R0.55 CC(C)CCSCC(=O)O MCULE-6718693744 [1,1,0,0,0,0|2,0,0]=4 1386 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [1,1,0,0,0,0|2,0,0]=4 1387 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [1,1,0,0,0,0|2,0,0]=4 1388 B9R0.55 CC(C)COCCC(=O)O MCULE-6429199224 [1,1,0,0,0,0|2,0,0]=4 1389 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [1,1,0,0,0,0|2,0,0]=4 1390 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [1,1,0,0,0,0|2,0,0]=4 1391 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [1,1,0,0,0,0|2,0,0]=4 1392 B9R0.55 CC(C)OCCCC(=O)O MCULE-8577811101 [1,1,0,0,0,0|2,0,0]=4 1393 B9R0.55 CC(C)SCCCC(=O)O MCULE-7082519548 [1,1,0,0,0,0|2,0,0]=4 1394 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [1,1,0,0,0,0|1,0,0]=3 1395 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [1,1,0,0,0,0|1,0,0]=3 1396 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [1,1,0,0,0,0|2,0,0]=4 1397 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [1,1,0,0,0,0|2,0,0]=4 1398 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [1,1,0,0,0,0|0,0,2]=4 1399 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [1,1,0,0,0,0|0,0,1]=3 1400 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [1,1,0,0,0,0|0,0,1]=3 1401 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [1,1,0,0,0,0|0,0,1]=3 1402 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [1,1,0,0,0,0|0,0,1]=3 1403 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [1,1,0,0,0,0|0,0,1]=3 1404 B9R0.55 O=C(O)CCCCC(F)F MCULE-4491962830 [1,1,0,0,0,0|1,0,0]=3 1405 B9R0.55 O=C(O)CCOCC(F)F MCULE-5247096062 [1,1,0,0,0,0|2,0,0]=4 1406 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [1,1,0,0,0,0|0,0,2]=4 1407 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [1,1,0,0,0,0|0,0,2]=4 1408 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [1,1,0,0,0,0|0,0,2]=4 1409 B9R0.3 CCCCC(N)P(=O)(O)O MCULE-6746003648 [1,1,0,0,0,0|1,0,0]=3 1410 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [1,1,0,0,0,0|0,0,0]=2 1411 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-3877102152 [1,1,0,0,0,0|2,0,0]=4 1412 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-5998533545 [1,1,0,0,0,0|2,0,0]=4 1413 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [1,1,0,0,0,0|0,0,0]=2 1414 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-1873801018 [1,1,0,0,0,0|2,0,0]=4 1415 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-5086135715 [1,1,0,0,0,0|2,0,0]=4 1416 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [1,1,0,0,0,0|1,0,0]=3 1417 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [1,1,0,0,0,0|1,0,0]=3 1418 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [1,1,0,0,0,0|1,0,0]=3 1419 B9R0.6 COCC(C)C(C)C(=O)O MCULE-8168198082 [1,1,0,0,0,0|2,0,0]=4 1420 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [1,1,0,0,0,0|0,0,2]=4 1421 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [1,1,0,0,0,0|0,0,2]=4 1422 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [1,1,0,0,0,0|0,0,2]=4 1423 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [1,1,0,0,0,0|0,0,2]=4 1424 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [1,1,0,0,0,0|1,0,1]=4 1425 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [1,1,0,0,0,0|1,0,1]=4 1426 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [1,1,0,0,0,0|1,0,1]=4 1427 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [1,1,0,0,0,0|1,0,1]=4 1428 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [1,1,0,0,0,0|1,0,1]=4 1429 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [1,1,0,0,0,0|1,0,1]=4 1430 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [1,1,0,0,0,0|1,0,1]=4 1431 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [1,1,0,0,0,0|1,0,1]=4 1432 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [1,1,0,0,0,0|1,0,1]=4 1433 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [1,1,0,0,0,0|1,0,1]=4 1434 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [1,1,0,0,0,0|1,0,1]=4 1435 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [1,1,0,0,0,0|1,0,1]=4 1436 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [1,1,0,0,0,0|1,0,1]=4 1437 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [1,1,0,0,0,0|1,0,1]=4 1438 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [1,1,0,0,0,0|1,0,1]=4 1439 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [1,1,0,0,0,0|1,0,1]=4 1440 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [1,1,0,0,0,0|1,0,0]=3 1441 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [1,1,0,0,0,0|1,0,0]=3 1442 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [1,1,0,0,0,0|0,0,0]=2 1443 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [1,1,0,0,0,0|0,0,0]=2 1444 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [1,1,0,0,0,0|0,0,0]=2 1445 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [1,1,0,0,0,0|0,0,0]=2 1446 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [1,1,0,0,0,0|0,0,0]=2 1447 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [1,1,0,0,0,0|0,0,0]=2 1448 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [1,1,0,0,0,0|0,0,0]=2 1449 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [1,1,0,0,0,0|0,0,0]=2 1450 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [1,1,0,0,0,0|0,0,0]=2 1451 B9R0.7 CC(C)COC(C)C(=O)O MCULE-1125012565 [1,1,0,0,0,0|2,0,0]=4 1452 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [1,1,0,0,0,0|1,0,0]=3 1453 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [1,1,0,0,0,0|1,0,0]=3 1454 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [1,1,0,0,0,0|1,0,1]=4 1455 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [1,1,0,0,0,0|1,0,1]=4 1456 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [1,1,0,0,0,0|2,0,0]=4 1457 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [1,1,0,0,0,0|2,0,0]=4 1458 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [1,1,0,0,0,0|1,0,0]=3 1459 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [1,1,0,0,0,0|2,0,0]=4 1460 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [1,1,0,0,0,0|1,0,0]=3 1461 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [1,1,0,0,0,0|1,0,0]=3 1462 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [1,1,0,0,0,0|1,0,0]=3 1463 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [1,1,0,0,0,0|1,0,0]=3 1464 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [1,1,0,0,0,0|1,0,0]=3 1465 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [1,1,0,0,0,0|1,0,0]=3 1466 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [1,1,0,0,0,0|1,0,0]=3 1467 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [1,1,0,0,0,0|1,0,0]=3 1468 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [1,1,0,0,0,0|1,0,1]=4 1469 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [1,1,0,0,0,0|1,0,1]=4 1470 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [1,1,0,0,0,0|1,0,1]=4 1471 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [1,1,0,0,0,0|1,0,0]=3 1472 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [1,1,0,0,0,0|1,0,0]=3 1473 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [1,1,0,0,0,0|1,0,0]=3 1474 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [1,1,0,0,0,0|1,0,0]=3 1475 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [1,1,0,0,0,0|1,0,0]=3 1476 B9R0.7 C[S+](C)CCC(N)C(=O)[O-] MCULE-6795236117 [1,1,0,0,0,0|1,0,1]=4 1477 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [1,1,0,0,0,0|1,0,0]=3 1478 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [1,1,0,0,0,0|1,0,0]=3 1479 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [1,1,0,0,0,0|1,0,0]=3 1480 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [1,1,0,0,0,0|1,0,0]=3 1481 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [1,1,0,0,0,0|1,0,0]=3 1482 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [1,1,0,0,0,0|1,0,0]=3 1483 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [1,1,0,0,0,0|1,0,0]=3 1484 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [1,1,0,0,0,0|1,0,0]=3 1485 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [1,1,0,0,0,0|1,0,0]=3 1486 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [1,1,0,0,0,0|1,0,1]=4 1487 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [1,1,0,0,0,0|1,0,1]=4 1488 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [1,1,0,0,0,0|0,0,2]=4 1489 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [1,1,0,0,0,0|0,0,2]=4 1490 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [1,1,0,0,0,0|0,0,2]=4 1491 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [1,1,0,0,0,0|0,0,2]=4 1492 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [1,1,0,0,0,0|0,0,2]=4 1493 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [1,1,0,0,0,0|1,0,1]=4 1494 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [1,1,0,0,0,0|1,0,1]=4 1495 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [1,1,0,0,0,0|1,0,1]=4 1496 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [1,1,0,0,0,0|1,0,1]=4 1497 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [1,1,0,0,0,0|1,0,1]=4 1498 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [1,1,0,0,0,0|1,0,1]=4 1499 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [1,1,0,0,0,0|0,0,1]=3 1500 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [1,1,0,0,0,0|0,0,1]=3 1501 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [1,1,0,0,0,0|0,0,1]=3 1502 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [1,1,0,0,0,0|0,0,2]=4 1503 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [1,1,0,0,0,0|0,0,1]=3 1504 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [1,1,0,0,0,0|0,0,1]=3 1505 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [1,1,0,0,0,0|0,0,1]=3 1506 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [1,1,0,0,0,0|0,0,1]=3 1507 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [1,1,0,0,0,0|0,0,1]=3 1508 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [1,1,0,0,0,0|0,0,2]=4 1509 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [1,1,0,0,0,0|0,0,2]=4 1510 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [1,1,0,0,0,0|0,0,2]=4 1511 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [1,1,0,0,0,0|0,0,1]=3 1512 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [1,1,0,0,0,0|0,0,1]=3 1513 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [1,1,0,0,0,0|1,0,1]=4 1514 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [1,1,0,0,0,0|1,0,1]=4 1515 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [1,1,0,0,0,0|1,0,1]=4 1516 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [1,1,0,0,0,0|1,0,1]=4 1517 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [1,1,0,0,0,0|1,0,1]=4 1518 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [1,1,0,0,0,0|1,0,1]=4 1519 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [1,1,0,0,0,0|1,0,1]=4 1520 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [1,1,0,0,0,0|1,0,1]=4 1521 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [1,1,0,0,0,0|1,0,0]=3 1522 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [1,1,0,0,0,0|1,0,1]=4 1523 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [1,1,0,0,0,0|0,0,1]=3 1524 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [1,1,0,0,0,0|1,0,0]=3 1525 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [1,1,0,0,0,0|1,0,1]=4 1526 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [1,1,0,0,0,0|2,0,0]=4 1527 B9R0.13 CCC(OCCO)C(=O)O MCULE-6934668694 [1,1,0,0,0,0|2,0,0]=4 1528 B9R0.13 CCCCC(CC)C(=O)C MCULE-6594996935 [1,1,0,0,0,0|2,0,0]=4 1529 B9R0.13 CCCCC(CC)C(=O)Cl MCULE-5129133966 [1,1,0,0,0,0|2,0,0]=4 1530 B9R0.13 CCCCC(CC)C(=O)N MCULE-6741704780 [1,1,0,0,0,0|2,0,0]=4 1531 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [1,1,0,0,0,0|1,0,0]=3 1532 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6405828438 [1,1,0,0,0,0|1,0,1]=4 1533 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6841285360 [1,1,0,0,0,0|1,0,1]=4 1534 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-9345456808 [1,1,0,0,0,0|1,0,1]=4 1535 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [1,1,0,0,0,0|0,0,0]=2 1536 B9R0.13 CCCCC(CO)C(=O)C MCULE-8991511326 [1,1,0,0,0,0|2,0,0]=4 1537 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [1,1,0,0,0,0|1,0,0]=3 1538 B9R0.13 CCCCC(NC)C(=O)N MCULE-5960268514 [1,1,0,0,0,0|1,0,0]=3 1539 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [1,1,0,0,0,0|0,0,0]=2 1540 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [1,1,0,0,0,0|1,0,0]=3 1541 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [1,1,0,0,0,0|1,0,0]=3 1542 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [1,1,0,0,0,0|1,0,0]=3 1543 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [1,1,0,0,0,0|0,0,0]=2 1544 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [1,1,0,0,0,0|1,0,0]=3 1545 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [1,1,0,0,0,0|1,0,0]=3 1546 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [1,1,0,0,0,0|0,0,0]=2 1547 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [1,1,0,0,0,0|1,0,0]=3 1548 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [1,1,0,0,0,0|1,0,0]=3 1549 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [1,1,0,0,0,0|0,0,0]=2 1550 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [1,1,0,0,0,0|0,0,0]=2 1551 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [1,1,0,0,0,0|0,0,0]=2 1552 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [1,1,0,0,0,0|0,0,0]=2 1553 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [1,1,0,0,0,0|1,0,0]=3 1554 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [1,1,0,0,0,0|1,0,0]=3 1555 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [1,1,0,0,0,0|1,0,0]=3 1556 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [1,1,0,0,0,0|1,0,0]=3 1557 B9R0.13 COC(CCSC)C(=O)O MCULE-2968161259 [1,1,0,0,0,0|2,0,0]=4 1558 B9R0.13 CSCCC(N=[Se])C(=O)O MCULE-9506566313 [1,1,0,0,0,0|1,0,1]=4 1559 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [1,1,0,0,0,0|1,0,1]=4 1560 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [1,1,0,0,0,0|0,0,0]=2 1561 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [1,1,0,0,0,0|0,0,1]=3 1562 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [1,1,0,0,0,0|0,0,1]=3 1563 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [1,1,0,0,0,0|1,0,0]=3 1564 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [1,1,0,0,0,0|0,0,0]=2 1565 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [1,1,0,0,0,0|0,0,0]=2 1566 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [1,1,0,0,0,0|2,0,0]=4 1567 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [1,1,0,0,0,0|2,0,0]=4 1568 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [1,1,0,0,0,0|1,0,1]=4 1569 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [1,1,0,0,0,0|1,0,1]=4 1570 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [1,1,0,0,0,0|1,0,1]=4 1571 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [1,1,0,0,0,0|1,0,1]=4 1572 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [1,1,0,0,0,0|1,0,1]=4 1573 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [1,1,0,0,0,0|1,0,1]=4 1574 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [1,1,0,0,0,0|1,0,1]=4 1575 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [1,1,0,0,0,0|1,0,1]=4 1576 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [1,1,0,0,0,0|1,0,1]=4 1577 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [1,1,0,0,0,0|1,0,1]=4 1578 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [1,1,0,0,0,0|1,0,1]=4 1579 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [1,1,0,0,0,0|1,0,1]=4 1580 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [1,1,0,0,0,0|1,0,1]=4 1581 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [1,1,0,0,0,0|1,0,1]=4 1582 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [1,1,0,0,0,0|1,0,1]=4 1583 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [1,1,0,0,0,0|1,0,1]=4 1584 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [1,1,0,0,0,0|1,0,1]=4 1585 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [1,1,0,0,0,0|1,0,1]=4 1586 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [1,1,0,0,0,0|1,0,1]=4 1587 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [1,1,0,0,0,0|1,0,1]=4 1588 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [1,1,0,0,0,0|0,0,2]=4 1589 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [1,1,0,0,0,0|0,0,2]=4 1590 B9R0.51 CC(C)(CCCO)C(=O)O MCULE-8432032551 [1,1,0,0,0,0|1,0,0]=3 1591 B9R0.51 CC(C)(CCCO)C(=O)[O-] MCULE-7948640149 [1,1,0,0,0,0|1,0,1]=4 1592 B9R0.51 CC(C)(OCCO)C(=O)O MCULE-7350629526 [1,1,0,0,0,0|2,0,0]=4 1593 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [1,1,0,0,0,0|1,0,0]=3 1594 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [1,1,0,0,0,0|1,0,0]=3 1595 B9R0.51 CCCCC(C)(C)C(=O)C MCULE-3392309275 [1,1,0,0,0,0|2,0,0]=4 1596 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [1,1,0,0,0,0|1,0,0]=3 1597 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [1,1,0,0,0,0|1,0,0]=3 1598 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [1,1,0,0,0,0|1,0,0]=3 1599 B9R0.51 CCCCC(F)(F)C(=O)O MCULE-3383573238 [1,1,0,0,0,0|1,0,0]=3 1600 B9R0.51 CCOCC(C)(C)C(=O)O MCULE-3248915686 [1,1,0,0,0,0|2,0,0]=4 1601 B9R0.51 COCCC(C)(C)C(=O)O MCULE-6792174270 [1,1,0,0,0,0|2,0,0]=4 1602 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [1,1,0,0,0,0|1,0,0]=3 1603 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(=O)O MCULE-1729858129 [0,1,0,0,0,1|1,0,0]=3 1604 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(=O)O MCULE-3570546900 [0,1,0,0,0,1|1,0,0]=3 1605 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(=O)O MCULE-4680682365 [0,1,0,0,0,1|1,0,0]=3 1606 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(=O)O MCULE-5845149590 [0,1,0,0,0,1|1,0,0]=3 1607 B11R0.2 CCC/C=C\CC(N)CC(=O)O MCULE-9494795833 [0,1,0,0,0,1|1,0,1]=4 1608 B11R0.2 CCCCCCC(C)CC(=O)O MCULE-4777686649 [0,1,0,0,0,1|2,0,0]=4 1609 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-6987665804 [0,1,0,0,0,1|1,0,0]=3 1610 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-8299240038 [0,1,0,0,0,1|1,0,0]=3 1611 B11R0.2 CCCCCCC(O)CC(=O)O MCULE-8278468713 [0,1,0,0,0,1|2,0,0]=4 1612 B11R0.6 CC(C)CCCC(C)CC(=O)O MCULE-9388582884 [0,1,0,0,0,1|2,0,0]=4 1613 B11R0.6 CC(C)CCCC(O)CC(=O)O MCULE-1375657381 [0,1,0,0,0,1|2,0,0]=4 1614 B11R0.77 CCCCCC(CC)CC(=O)O MCULE-4021687044 [0,1,0,0,0,1|2,0,0]=4 1615 B11R0.107 CCC(C)CCC(O)CC(=O)O MCULE-8371895709 [0,1,0,0,0,1|2,0,0]=4 1616 B11R0.139 CCCCCC(O)C(O)C(=O)O MCULE-3131050684 [0,1,0,0,0,1|2,0,0]=4 1617 B11R0.154 CCCCCC(C)NC(=O)OC MCULE-7863422076 [0,1,0,0,0,1|2,0,0]=4 1618 B11R0.154 CCCCCC(O)CC(=O)OC MCULE-9477041708 [0,1,0,0,0,1|2,0,0]=4 1619 B11R0.154 CCCCC[C@H](O)CC(=O)OC MCULE-4127190955 [0,1,0,0,0,1|2,0,0]=4 1620 B11R0.125 C=CCCCC[C@@](C)(N)C(=O)O MCULE-6510689748 [0,2,0,0,0,0|1,0,0]=3 1621 B11R0.125 C=CCCCC[C@](C)(N)C(=O)O MCULE-8447084960 [0,2,0,0,0,0|1,0,0]=3 1622 B11R0.125 CCCCCCC(C)(N)C(=O)O MCULE-1741748079 [0,2,0,0,0,0|1,0,0]=3 1623 B11R0.125 COCCOCC(C)(C)C(=O)O MCULE-4718227294 [0,2,0,0,0,0|2,0,0]=4 1624 B11R0.202 CN(C)CCCC(C)(N)C(=O)O MCULE-4108460380 [0,2,0,0,0,0|2,0,0]=4 1625 B11R0.202 CN(C)CCCC(C)(N)C(=O)O MCULE-4474091421 [0,2,0,0,0,0|2,0,0]=4 1626 B11R0.329 CCCCCC(C)(CC)C(=O)O MCULE-5909088545 [0,2,0,0,0,0|2,0,0]=4 1627 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5358658112 [0,2,0,0,0,0|1,0,1]=4 1628 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5606810596 [0,2,0,0,0,0|1,0,1]=4 1629 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-7980342928 [0,2,0,0,0,0|1,0,1]=4 1630 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8195408633 [0,2,0,0,0,0|1,0,1]=4 1631 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8216004356 [0,2,0,0,0,0|1,0,1]=4 1632 B11R0.29 CC(=O)C(C)CCCCC(=O)O MCULE-7016988868 [0,2,0,0,0,0|2,0,0]=4 1633 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,2,0,0,0,0|0,0,2]=4 1634 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,2,0,0,0,0|0,0,2]=4 1635 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,2,0,0,0,0|0,0,2]=4 1636 B11R0.29 CC(C)CCSC[C@@H](N)C(=O)O MCULE-5853886859 [0,2,0,0,0,0|1,0,0]=3 1637 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O MCULE-3979333384 [0,2,0,0,0,0|1,0,0]=3 1638 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O MCULE-8382723630 [0,2,0,0,0,0|1,0,0]=3 1639 B11R0.29 CC(C)OCCCC(N)C(=O)O MCULE-9893578582 [0,2,0,0,0,0|1,0,0]=3 1640 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-6147962384 [0,2,0,0,0,0|1,0,0]=3 1641 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-7967152551 [0,2,0,0,0,0|1,0,0]=3 1642 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-3135800759 [0,2,0,0,0,0|1,0,0]=3 1643 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-4133814403 [0,2,0,0,0,0|1,0,0]=3 1644 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-7654882207 [0,2,0,0,0,0|1,0,0]=3 1645 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-8592172298 [0,2,0,0,0,0|1,0,0]=3 1646 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-3125760737 [0,2,0,0,0,0|1,0,1]=4 1647 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-5122302808 [0,2,0,0,0,0|1,0,1]=4 1648 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-6153263942 [0,2,0,0,0,0|1,0,1]=4 1649 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-9072241723 [0,2,0,0,0,0|1,0,1]=4 1650 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-1262352579 [0,2,0,0,0,0|1,0,1]=4 1651 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-3838347198 [0,2,0,0,0,0|1,0,1]=4 1652 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-8676148534 [0,2,0,0,0,0|1,0,1]=4 1653 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-9872369459 [0,2,0,0,0,0|1,0,1]=4 1654 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-1290049418 [0,2,0,0,0,0|1,0,1]=4 1655 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-4214642097 [0,2,0,0,0,0|1,0,1]=4 1656 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-5108123240 [0,2,0,0,0,0|1,0,1]=4 1657 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-4923497703 [0,2,0,0,0,0|1,0,1]=4 1658 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-6690848404 [0,2,0,0,0,0|1,0,1]=4 1659 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-8512874772 [0,2,0,0,0,0|1,0,1]=4 1660 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N MCULE-6159466147 [0,2,0,0,0,0|1,0,1]=4 1661 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,2,0,0,0,0|0,0,2]=4 1662 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,2,0,0,0,0|0,0,2]=4 1663 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,2,0,0,0,0|0,0,2]=4 1664 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,2,0,0,0,0|0,0,2]=4 1665 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,2,0,0,0,0|0,0,2]=4 1666 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,2,0,0,0,0|0,0,2]=4 1667 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,2,0,0,0,0|0,0,2]=4 1668 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,2,0,0,0,0|0,0,2]=4 1669 B11R0.29 NC(=S)NCCC[C@H](N)C(=O)O MCULE-9458174752 [0,2,0,0,0,0|0,1,1]=4 1670 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,2,0,0,0,0|0,0,0]=2 1671 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-7425052021 [0,2,0,0,0,0|1,0,0]=3 1672 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-8991194580 [0,2,0,0,0,0|1,0,0]=3 1673 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,2,0,0,0,0|0,0,1]=3 1674 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [0,2,0,0,0,0|0,0,0]=2 1675 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [0,2,0,0,0,0|0,0,0]=2 1676 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [0,2,0,0,0,0|0,0,0]=2 1677 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [0,2,0,0,0,0|0,0,0]=2 1678 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,2,0,0,0,0|0,0,0]=2 1679 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,2,0,0,0,0|0,0,0]=2 1680 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-1378566517 [0,2,0,0,0,0|1,0,0]=3 1681 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-2158139364 [0,2,0,0,0,0|1,0,0]=3 1682 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8839722581 [0,2,0,0,0,0|1,0,0]=3 1683 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8903543883 [0,2,0,0,0,0|1,0,0]=3 1684 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,2,0,0,0,0|0,0,1]=3 1685 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,2,0,0,0,0|0,0,1]=3 1686 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,2,0,0,0,0|0,0,0]=2 1687 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,2,0,0,0,0|0,0,0]=2 1688 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,2,0,0,0,0|0,0,1]=3 1689 B11R0.29 O=C(O)CCCCC(=O)C(=O)O MCULE-2399783714 [0,2,0,0,0,0|1,0,1]=4 1690 B11R0.29 [C@H](N)(CCCNC(=N)N)C(=O)O MCULE-3794564775 [0,2,0,0,0,0|1,0,1]=4 1691 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-1162188913 [0,2,0,0,0,0|1,0,0]=3 1692 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-3131667346 [0,2,0,0,0,0|1,0,0]=3 1693 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-4888632865 [0,2,0,0,0,0|1,0,0]=3 1694 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5391769158 [0,2,0,0,0,0|1,0,0]=3 1695 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5861402789 [0,2,0,0,0,0|1,0,0]=3 1696 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8081984411 [0,2,0,0,0,0|1,0,0]=3 1697 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8137198974 [0,2,0,0,0,0|1,0,0]=3 1698 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-1233544353 [0,2,0,0,0,0|1,0,0]=3 1699 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-3790089576 [0,2,0,0,0,0|1,0,0]=3 1700 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-8748986273 [0,2,0,0,0,0|1,0,0]=3 1701 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-9105977293 [0,2,0,0,0,0|1,0,0]=3 1702 B11R0.42 C=CCCCCOC(C)C(=O)O MCULE-8528579246 [0,2,0,0,0,0|2,0,0]=4 1703 B11R0.42 C=CCCCCO[C@H](C)C(=O)O MCULE-4315372330 [0,2,0,0,0,0|2,0,0]=4 1704 B11R0.42 C=CCCCCO[C@H](C)C(=O)O MCULE-9381984847 [0,2,0,0,0,0|2,0,0]=4 1705 B11R0.42 CCCCCCCC(C)C(=O)O MCULE-1400601550 [0,2,0,0,0,0|2,0,0]=4 1706 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [0,2,0,0,0,0|1,0,0]=3 1707 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [0,2,0,0,0,0|1,0,0]=3 1708 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [0,2,0,0,0,0|1,0,0]=3 1709 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [0,2,0,0,0,0|1,0,0]=3 1710 B11R0.42 CCCCCCOC(C)C(=O)O MCULE-5771954047 [0,2,0,0,0,0|2,0,0]=4 1711 B11R0.42 CCCCSCCC(N)C(=O)O MCULE-9943276345 [0,2,0,0,0,0|1,0,0]=3 1712 B11R0.42 CCCCSCC[C@@H](N)C(=O)O MCULE-5947369888 [0,2,0,0,0,0|1,0,0]=3 1713 B11R0.42 CCCCSCC[C@H](N)C(=O)O MCULE-6636715475 [0,2,0,0,0,0|1,0,0]=3 1714 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-1411337428 [0,2,0,0,0,0|2,0,0]=4 1715 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-9110675077 [0,2,0,0,0,0|2,0,0]=4 1716 B11R0.42 NC(CCCCNC=O)C(=O)O MCULE-1951015462 [0,2,0,0,0,0|0,0,1]=3 1717 B11R0.42 N[C@@H](CCCCN=[N+]=[N-])C(=O)O MCULE-1235238069 [0,2,0,0,0,0|1,0,0]=3 1718 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4391601903 [0,2,0,0,0,0|0,0,1]=3 1719 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4927440935 [0,2,0,0,0,0|0,0,1]=3 1720 B11R0.42 N[C@@H](CCN/C=N/NO)C(=O)O MCULE-2146073118 [0,2,0,0,0,0|1,0,1]=4 1721 B11R0.42 N[C@@H](CCN/C=N/NO)C(=O)O MCULE-7924873020 [0,2,0,0,0,0|1,0,1]=4 1722 B11R0.42 [N-]=[N+]=NCCCC[C@@H](N)C(=O)O MCULE-4439689174 [0,2,0,0,0,0|1,0,0]=3 1723 B11R0.42 [N-]=[N+]=NCCCC[C@@H]([NH3+])C(=O)O MCULE-9695888606 [0,2,0,0,0,0|1,0,1]=4 1724 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-2268932366 [0,2,0,0,0,0|1,0,0]=3 1725 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-5050271888 [0,2,0,0,0,0|1,0,0]=3 1726 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-5569498677 [0,2,0,0,0,0|1,0,0]=3 1727 B11R0.76 CCCCCCC(CC)C(=O)O MCULE-6377253083 [0,2,0,0,0,0|2,0,0]=4 1728 B11R0.76 CCCCCCC(NC)C(=O)O MCULE-7287509088 [0,2,0,0,0,0|1,0,0]=3 1729 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-6525672180 [0,2,0,0,0,0|0,0,1]=3 1730 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-9595280451 [0,2,0,0,0,0|0,0,1]=3 1731 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-3482420480 [0,2,0,0,0,0|0,0,1]=3 1732 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-4023404585 [0,2,0,0,0,0|0,0,1]=3 1733 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-7929391321 [0,2,0,0,0,0|0,0,1]=3 1734 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-8630961555 [0,2,0,0,0,0|0,0,1]=3 1735 B11R0.109 N/C(=N\CCC(N)C(=O)O)/NO MCULE-3317847954 [0,2,0,0,0,0|1,0,1]=4 1736 B11R0.109 N/C(=N\O)/NCC[C@H](N)C(=O)O MCULE-6818477347 [0,2,0,0,0,0|1,0,1]=4 1737 B11R0.109 N=C(NO)NCCC(N)C(=O)O MCULE-1136835208 [0,2,0,0,0,0|1,0,1]=4 1738 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-1084312846 [0,2,0,0,0,0|1,0,1]=4 1739 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-4376787249 [0,2,0,0,0,0|1,0,1]=4 1740 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-5014640829 [0,2,0,0,0,0|1,0,1]=4 1741 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-5651762446 [0,2,0,0,0,0|1,0,1]=4 1742 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-6461612970 [0,2,0,0,0,0|1,0,1]=4 1743 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-9060251744 [0,2,0,0,0,0|1,0,1]=4 1744 B11R0.141 CCNC(=O)CCC(N)C(=O)O MCULE-6282658853 [0,2,0,0,0,0|1,0,1]=4 1745 B11R0.141 CCNC(=O)CC[C@@H](N)C(=O)O MCULE-8097322594 [0,2,0,0,0,0|1,0,1]=4 1746 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O MCULE-6143390139 [0,2,0,0,0,0|1,0,1]=4 1747 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O MCULE-9231004806 [0,2,0,0,0,0|1,0,1]=4 1748 B11R0.141 CCOC(=O)CCC(N)C(=O)O MCULE-9823045547 [0,2,0,0,0,0|1,0,1]=4 1749 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O MCULE-8792343648 [0,2,0,0,0,0|1,0,1]=4 1750 B11R0.141 [C@H](N)(CCC(=O)OCC)C(=O)O MCULE-8568738055 [0,2,0,0,0,0|1,0,1]=4 1751 B11R0.142 CCCCCCC(Br)C(=O)OC MCULE-3994207813 [0,2,0,0,0,0|2,0,0]=4 1752 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-1398170037 [0,2,0,0,0,0|1,0,0]=3 1753 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-3295480977 [0,2,0,0,0,0|1,0,0]=3 1754 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-5212970889 [0,2,0,0,0,0|1,0,0]=3 1755 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-7851215638 [0,2,0,0,0,0|1,0,0]=3 1756 B11R0.142 CCCCNCC(C)C(=O)OC MCULE-9643286363 [0,2,0,0,0,0|2,0,0]=4 1757 B11R0.142 COCCNCC(C)C(=O)OC MCULE-7340240400 [0,2,0,0,0,0|2,0,0]=4 1758 B11R0.21 CCN(CC)CCC(N)C(=O)O MCULE-7129451802 [0,2,0,0,0,0|2,0,0]=4 1759 B11R0.150 CC(CCC(C)C(=O)O)C(=O)O MCULE-5912549588 [0,2,0,0,0,0|1,0,1]=4 1760 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,2,0,0,0,0|0,0,1]=3 1761 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,2,0,0,0,0|0,0,1]=3 1762 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,2,0,0,0,0|0,0,1]=3 1763 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,2,0,0,0,0|0,0,1]=3 1764 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,2,0,0,0,0|0,0,1]=3 1765 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,2,0,0,0,0|0,0,1]=3 1766 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,2,0,0,0,0|0,0,1]=3 1767 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O MCULE-1364640997 [0,2,0,0,0,0|1,0,1]=4 1768 B11R0.302 CCC(C)(C)SC[C@H](N)C(=O)O MCULE-7227985035 [0,2,0,0,0,0|2,0,0]=4 1769 B11R0.302 CCC(C)(C)SC[C@H](N)C(=O)O MCULE-9705479622 [0,2,0,0,0,0|2,0,0]=4 1770 B11R0.302 CCS(=O)(=O)CCC(N)C(=O)O MCULE-7170091075 [0,2,0,0,0,0|2,0,0]=4 1771 B11R0.302 NCC(F)(F)CC[C@H](N)C(=O)O MCULE-2073515907 [0,2,0,0,0,0|1,0,0]=3 1772 B11R0.155 CCCCCC(Br)C(=O)OCC MCULE-5071739287 [0,2,0,0,0,0|2,0,0]=4 1773 B11R0.155 CCOC(=O)C(N)CCCCN MCULE-6161225514 [0,2,0,0,0,0|1,0,0]=3 1774 B11R0.155 CCOC(=O)C(N)CCCCN MCULE-6784052563 [0,2,0,0,0,0|1,0,0]=3 1775 B11R0.155 CCOC(=O)C(N)CCCCN MCULE-7207725681 [0,2,0,0,0,0|1,0,0]=3 1776 B11R0.155 CCOC(=O)C(N)CCCCN MCULE-8403724896 [0,2,0,0,0,0|1,0,0]=3 1777 B11R0.155 CCOC(=O)C(N)CCCOC MCULE-5689363804 [0,2,0,0,0,0|2,0,0]=4 1778 B11R0.155 CCOC(=O)[C@@H](N)CCCCN MCULE-1818096073 [0,2,0,0,0,0|1,0,0]=3 1779 B11R0.155 CCOC(=O)[C@@H](N)CCCCN MCULE-3988865124 [0,2,0,0,0,0|1,0,0]=3 1780 B11R0.155 CCOC(=O)[C@@H](N)CCCCN MCULE-5713269112 [0,2,0,0,0,0|1,0,0]=3 1781 B11R0.155 [C@H](N)(CCCCN)C(=O)OCC MCULE-3847914782 [0,2,0,0,0,0|1,0,0]=3 1782 B11R0.155 [C@H](N)(CCCCN)C(=O)OCC MCULE-6370873846 [0,2,0,0,0,0|1,0,0]=3 1783 B11R0.78 CCCC(CCCCN)C(=O)O MCULE-1663275054 [0,2,0,0,0,0|2,0,0]=4 1784 B11R0.78 CCCC(CCCCN)C(=O)O MCULE-1979773774 [0,2,0,0,0,0|2,0,0]=4 1785 B11R0.78 CCCCCC(CCC)C(=O)O MCULE-5222815142 [0,2,0,0,0,0|2,0,0]=4 1786 B11R0.78 CCSCCC(NC=O)C(=O)O MCULE-4482021526 [0,2,0,0,0,0|2,0,0]=4 1787 B11R0.78 NCCCC[C@H](NC=O)C(=O)O MCULE-9458118624 [0,2,0,0,0,0|1,0,0]=3 1788 B11R0.153 CCCCCC(C(=O)O)C(=O)O MCULE-4295713715 [0,2,0,0,0,0|2,0,0]=4 1789 B11R0.153 CCCCCC(C(=O)O)C(C)C MCULE-3945412548 [0,2,0,0,0,0|2,0,0]=4 1790 B11R0.318 NC(CCCC(F)(F)F)C(=O)O MCULE-7789274600 [0,2,0,0,0,0|1,0,0]=3 1791 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,2,0,0,0,0|1,0,0]=3 1792 B11R0.318 NC(CCCP(=O)(O)O)C(=O)[O-] MCULE-1190482144 [0,2,0,0,0,0|1,0,1]=4 1793 B11R0.318 NC(CCCP(=O)([O-])O)C(=O)O MCULE-7628102703 [0,2,0,0,0,0|1,0,0]=3 1794 B11R0.318 NC(CCSC(F)(F)F)C(=O)O MCULE-5149524776 [0,2,0,0,0,0|2,0,0]=4 1795 B11R0.318 N[C@@H](CCCC(F)(F)F)C(=O)O MCULE-2139897277 [0,2,0,0,0,0|1,0,0]=3 1796 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,2,0,0,0,0|1,0,0]=3 1797 B11R0.318 N[C@@H](CCCP(=O)([O-])O)C(=O)O MCULE-2274115416 [0,2,0,0,0,0|1,0,0]=3 1798 B11R0.318 N[C@@H](CCSC(F)(F)F)C(=O)O MCULE-4819456039 [0,2,0,0,0,0|2,0,0]=4 1799 B11R0.318 N[C@@H](CCSC(F)(F)F)C(=O)O MCULE-9085035910 [0,2,0,0,0,0|2,0,0]=4 1800 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,2,0,0,0,0|1,0,0]=3 1801 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,2,0,0,0,0|1,0,0]=3 1802 B9R1.1 NC1CCC(CC1)CO MCULE-2058020777 [1,0,0,1,0,0|1,0,1]=4 1803 B9R1.1 NC1CCC(CC1)CO MCULE-9932194679 [1,0,0,1,0,0|1,0,1]=4 1804 B9R1.1 NC1CCC(OC1)CO MCULE-4245301257 [1,0,0,1,0,0|0,0,1]=3 1805 B9R1.1 NC1CCC(OC1)CO MCULE-4483575448 [1,0,0,1,0,0|0,0,1]=3 1806 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-5075594203 [1,0,0,1,0,0|0,0,1]=3 1807 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-6987959950 [1,0,0,1,0,0|0,0,1]=3 1808 B9R1.1 N[C@H]1CC[C@@H](CC1)CO MCULE-3217313684 [1,0,0,1,0,0|1,0,1]=4 1809 B9R1.1 N[C@H]1CC[C@@H](CC1)CO MCULE-5128673214 [1,0,0,1,0,0|1,0,1]=4 1810 B9R1.1 N[C@H]1CC[C@H](CC1)CO MCULE-4030751832 [1,0,0,1,0,0|1,0,1]=4 1811 B9R1.1 N[C@H]1CC[C@H](CC1)CO MCULE-7261455396 [1,0,0,1,0,0|1,0,1]=4 1812 B9R1.1 N[C@H]1CC[C@H](OC1)CO MCULE-2411909324 [1,0,0,1,0,0|0,0,1]=3 1813 B9R1.1 OCC1CCC(CO1)O MCULE-4333559257 [1,0,0,1,0,0|1,0,1]=4 1814 B9R1.2 CC1CCCC(C1)C=O MCULE-8003239715 [1,0,0,1,0,0|2,0,0]=4 1815 B9R1.2 CC1CCCC(N1)CO MCULE-1132392693 [1,0,0,1,0,0|1,0,1]=4 1816 B9R1.3 CC1CCCC(C1=O)C MCULE-4896844140 [1,0,0,1,0,0|2,0,0]=4 1817 B9R1.3 CN1CCCC(C1=O)N MCULE-3986588144 [1,0,0,1,0,0|2,0,0]=4 1818 B9R1.3 CN1CCCC(C1=O)N MCULE-7149075004 [1,0,0,1,0,0|2,0,0]=4 1819 B9R1.3 CN1CCCC(C1=O)N MCULE-8825003509 [1,0,0,1,0,0|2,0,0]=4 1820 B9R1.3 CN1CCCC(C1=O)N MCULE-8988509393 [1,0,0,1,0,0|2,0,0]=4 1821 B9R1.3 CN1CCCC(C1=O)O MCULE-9396895370 [1,0,0,1,0,0|2,0,0]=4 1822 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-1758642850 [1,0,0,1,0,0|2,0,0]=4 1823 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-3159461429 [1,0,0,1,0,0|2,0,0]=4 1824 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-7461179322 [1,0,0,1,0,0|2,0,0]=4 1825 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-9831345261 [1,0,0,1,0,0|2,0,0]=4 1826 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-1637263724 [1,0,0,1,0,0|2,0,0]=4 1827 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-4764518735 [1,0,0,1,0,0|2,0,0]=4 1828 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-8517113396 [1,0,0,1,0,0|2,0,0]=4 1829 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-8710321967 [1,0,0,1,0,0|2,0,0]=4 1830 B9R1.3 NC1CCCN(C1=O)O MCULE-1786572763 [1,0,0,1,0,0|1,0,0]=3 1831 B9R1.3 N[C@@H]1CCC[C@H]([C@@H]1O)O MCULE-7294484287 [1,0,0,1,0,0|0,0,1]=3 1832 B9R1.3 N[C@H]1CCC[C@@H]([C@@H]1O)O MCULE-4901407173 [1,0,0,1,0,0|0,0,1]=3 1833 B9R1.3 N[C@H]1CCC[C@H]([C@@H]1O)O MCULE-2706489441 [1,0,0,1,0,0|0,0,1]=3 1834 B9R1.3 OC1CCCC(C1O)O MCULE-2835511427 [1,0,0,1,0,0|1,0,1]=4 1835 B9R1.5 CC1CCCCCC1=O MCULE-3737709008 [1,0,0,1,0,0|2,0,0]=4 1836 B9R1.5 CC1CCCCNC1=O MCULE-6519247850 [1,0,0,1,0,0|2,0,0]=4 1837 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [1,0,0,1,0,0|1,0,0]=3 1838 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [1,0,0,1,0,0|1,0,0]=3 1839 B9R1.5 NC1CCCCCC1O MCULE-8315023618 [1,0,0,1,0,0|1,0,1]=4 1840 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [1,0,0,1,0,0|1,0,0]=3 1841 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [1,0,0,1,0,0|1,0,0]=3 1842 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [1,0,0,1,0,0|1,0,0]=3 1843 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [1,0,0,1,0,0|1,0,0]=3 1844 B9R1.5 NC1CSCCNC1=O MCULE-7770173405 [1,0,0,1,0,0|2,0,0]=4 1845 B9R1.5 NC1CSCCNC1=O MCULE-9983094521 [1,0,0,1,0,0|2,0,0]=4 1846 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-2063759577 [1,0,0,1,0,0|1,0,1]=4 1847 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-8213087274 [1,0,0,1,0,0|1,0,1]=4 1848 B9R1.5 N[C@@H]1CCCCC[C@H]1O MCULE-5613622981 [1,0,0,1,0,0|1,0,1]=4 1849 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [1,0,0,1,0,0|1,0,0]=3 1850 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [1,0,0,1,0,0|1,0,0]=3 1851 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [1,0,0,1,0,0|1,0,0]=3 1852 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [1,0,0,1,0,0|1,0,0]=3 1853 B9R1.5 N[C@@H]1COCCNC1=O MCULE-1477215870 [1,0,0,1,0,0|2,0,0]=4 1854 B9R1.5 N[C@@H]1COCCNC1=O MCULE-2338970221 [1,0,0,1,0,0|2,0,0]=4 1855 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-1397409442 [1,0,0,1,0,0|2,0,0]=4 1856 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-7600788919 [1,0,0,1,0,0|2,0,0]=4 1857 B9R1.5 N[C@H]1CCCCC[C@@H]1O MCULE-6991711117 [1,0,0,1,0,0|1,0,1]=4 1858 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2920839467 [1,0,0,1,0,0|1,0,1]=4 1859 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2969566133 [1,0,0,1,0,0|1,0,1]=4 1860 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [1,0,0,1,0,0|1,0,0]=3 1861 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [1,0,0,1,0,0|1,0,0]=3 1862 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [1,0,0,1,0,0|1,0,0]=3 1863 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [1,0,0,1,0,0|1,0,0]=3 1864 B9R1.5 N[C@H]1COCCNC1=O MCULE-2013857076 [1,0,0,1,0,0|2,0,0]=4 1865 B9R1.5 N[C@H]1COCCNC1=O MCULE-4948373035 [1,0,0,1,0,0|2,0,0]=4 1866 B9R1.5 N[C@H]1COCCNC1=O MCULE-6232646531 [1,0,0,1,0,0|2,0,0]=4 1867 B9R1.5 N[C@H]1COCCNC1=O MCULE-7847351792 [1,0,0,1,0,0|2,0,0]=4 1868 B9R1.5 N[C@H]1CSCCNC1=O MCULE-4925355772 [1,0,0,1,0,0|2,0,0]=4 1869 B9R1.5 N[C@H]1CSCCNC1=O MCULE-6049507227 [1,0,0,1,0,0|2,0,0]=4 1870 B9R1.5 N[C@H]1CSCCNC1=O MCULE-8145988653 [1,0,0,1,0,0|2,0,0]=4 1871 B9R1.5 O=C1CCCCCC1Br MCULE-8987490106 [1,0,0,1,0,0|2,0,0]=4 1872 B9R1.5 O=C1CCCCCC1Cl MCULE-8475724231 [1,0,0,1,0,0|2,0,0]=4 1873 B9R1.5 O=C1CCCCCC1F MCULE-9375666074 [1,0,0,1,0,0|2,0,0]=4 1874 B9R1.5 O=C1CCCCCC1O MCULE-1763055677 [1,0,0,1,0,0|2,0,0]=4 1875 B9R1.5 O=C1NCCCCC1Br MCULE-1879428965 [1,0,0,1,0,0|2,0,0]=4 1876 B9R1.11 C#CC(N)C1CCCO1 MCULE-8411524832 [1,0,0,1,0,0|1,0,1]=4 1877 B9R1.11 CCC(N)C1CCCO1 MCULE-7946594021 [1,0,0,1,0,0|1,0,1]=4 1878 B9R1.11 N/C(=N\O)/C1CCCO1 MCULE-2644350923 [1,0,0,1,0,0|1,0,1]=4 1879 B9R1.11 NC(CO)C1CCCC1 MCULE-3542083676 [1,0,0,1,0,0|1,0,1]=4 1880 B9R1.11 NC(CO)C1CCCC1 MCULE-5931245443 [1,0,0,1,0,0|1,0,1]=4 1881 B9R1.11 NC(CO)C1CCCO1 MCULE-1115414738 [1,0,0,1,0,0|0,0,1]=3 1882 B9R1.11 N[C@H](CO)C1CCCC1 MCULE-1672080667 [1,0,0,1,0,0|1,0,1]=4 1883 B9R1.11 N[C@H](CO)C1CCCC1 MCULE-2468572391 [1,0,0,1,0,0|1,0,1]=4 1884 B9R1.11 N[C@H](CO)C1CCCC1 MCULE-9200212417 [1,0,0,1,0,0|1,0,1]=4 1885 B9R1.21 OCC1CCC(N1)CO MCULE-1103775354 [1,0,0,1,0,0|0,0,1]=3 1886 B9R1.21 OCC1CCC(O1)CO MCULE-3334782559 [1,0,0,1,0,0|1,0,1]=4 1887 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO MCULE-5217154467 [1,0,0,1,0,0|1,0,1]=4 1888 B9R1.49 NC1CCCC(CC1)O MCULE-5371360262 [1,0,0,1,0,0|1,0,1]=4 1889 B9R1.49 NC1CCCC(CC1)O MCULE-7262958041 [1,0,0,1,0,0|1,0,1]=4 1890 B9R1.49 N[C@@H]1CCC[C@@H](CC1)O MCULE-1133973283 [1,0,0,1,0,0|1,0,1]=4 1891 B9R1.49 N[C@@H]1CCC[C@@H](CC1)O MCULE-4169090989 [1,0,0,1,0,0|1,0,1]=4 1892 B9R1.49 N[C@@H]1CCC[C@H](CC1)O MCULE-2007393276 [1,0,0,1,0,0|1,0,1]=4 1893 B9R1.49 N[C@H]1CCC[C@@H](CC1)O MCULE-2524209060 [1,0,0,1,0,0|1,0,1]=4 1894 B9R1.49 N[C@H]1CCC[C@H](CC1)O MCULE-3889106863 [1,0,0,1,0,0|1,0,1]=4 1895 B9R1.50 NC1C=CCCCCC1 MCULE-1781220815 [1,0,0,1,0,0|2,0,0]=4 1896 B9R1.50 NC1C=CCCCCC1 MCULE-9435374048 [1,0,0,1,0,0|2,0,0]=4 1897 B9R1.79 NC(CO)CC1CCC1 MCULE-2309333579 [1,0,0,1,0,0|1,0,1]=4 1898 B9R1.79 NC(CO)CC1CCC1 MCULE-6676177211 [1,0,0,1,0,0|1,0,1]=4 1899 B9R1.89 O=CC1CCCCCC1 MCULE-2750232256 [1,0,0,1,0,0|2,0,0]=4 1900 B9R1.89 O=CC1COCCOC1 MCULE-8006105385 [1,0,0,1,0,0|2,0,0]=4 1901 B9R1.89 OCC1CCCCCN1 MCULE-1586506984 [1,0,0,1,0,0|1,0,1]=4 1902 B9R1.89 OC[C@@H]1CCCCCN1 MCULE-3068262302 [1,0,0,1,0,0|1,0,1]=4 1903 B9R1.118 CC1(CCCCC1)C=O MCULE-5963131023 [1,0,0,1,0,0|2,0,0]=4 1904 B9R1.118 CC1(CCCCO1)C=O MCULE-9760251174 [1,0,0,1,0,0|1,0,0]=3 1905 B9R1.118 CC1(CCCCO1)CO MCULE-1474953219 [1,0,0,1,0,0|1,0,1]=4 1906 B9R1.118 NC1(CCCCC1)CO MCULE-5010483791 [1,0,0,1,0,0|1,0,1]=4 1907 B9R1.118 NC1(CCCCC1)CO MCULE-9568898546 [1,0,0,1,0,0|1,0,1]=4 1908 B9R1.132 CCN1CCC(C1=O)N MCULE-1999772787 [1,0,0,1,0,0|2,0,0]=4 1909 B9R1.132 CCN1CCC(C1=O)N MCULE-9509776424 [1,0,0,1,0,0|2,0,0]=4 1910 B9R1.132 CN1CCC(C1=O)CO MCULE-4783255632 [1,0,0,1,0,0|2,0,0]=4 1911 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [1,0,0,1,0,0|2,0,0]=4 1912 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [1,0,0,1,0,0|2,0,0]=4 1913 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [1,0,0,1,0,0|2,0,0]=4 1914 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [1,0,0,1,0,0|2,0,0]=4 1915 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [1,0,0,1,0,0|2,0,0]=4 1916 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [1,0,0,1,0,0|2,0,0]=4 1917 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [1,0,0,1,0,0|2,0,0]=4 1918 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [1,0,0,1,0,0|2,0,0]=4 1919 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [1,0,0,1,0,0|1,0,0]=3 1920 B9R1.6 CC(=O)C1CNCCO1 MCULE-1332213026 [1,0,0,1,0,0|2,0,0]=4 1921 B9R1.6 CC(=O)C1CNCCO1 MCULE-8599628301 [1,0,0,1,0,0|2,0,0]=4 1922 B9R1.6 CC(=O)C1COCCO1 MCULE-5168266299 [1,0,0,1,0,0|2,0,0]=4 1923 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [1,0,0,1,0,0|2,0,0]=4 1924 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [1,0,0,1,0,0|2,0,0]=4 1925 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [1,0,0,1,0,0|2,0,0]=4 1926 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [1,0,0,1,0,0|2,0,0]=4 1927 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [1,0,0,1,0,0|2,0,0]=4 1928 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [1,0,0,1,0,0|2,0,0]=4 1929 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [1,0,0,1,0,0|2,0,0]=4 1930 B9R1.6 NC(=O)C1CNCCO1 MCULE-7045289444 [1,0,0,1,0,0|2,0,0]=4 1931 B9R1.6 NC(=O)C1CNCCO1 MCULE-8403360257 [1,0,0,1,0,0|2,0,0]=4 1932 B9R1.6 NC(=O)C1CNCCO1 MCULE-8477654103 [1,0,0,1,0,0|2,0,0]=4 1933 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [1,0,0,1,0,0|2,0,0]=4 1934 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [1,0,0,1,0,0|2,0,0]=4 1935 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [1,0,0,1,0,0|1,0,0]=3 1936 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [1,0,0,1,0,0|1,0,1]=4 1937 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [1,0,0,1,0,0|0,0,2]=4 1938 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [1,0,0,1,0,0|1,0,1]=4 1939 B9R1.6 O=C(O)C1CC=CCO1 MCULE-5751437850 [1,0,0,1,0,0|0,0,2]=4 1940 B9R1.6 O=C(O)C1CCC=CO1 MCULE-6447977583 [1,0,0,1,0,0|0,0,2]=4 1941 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [1,0,0,1,0,0|1,0,0]=3 1942 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [1,0,0,1,0,0|1,0,0]=3 1943 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [1,0,0,1,0,0|1,0,0]=3 1944 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [1,0,0,1,0,0|1,0,0]=3 1945 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [1,0,0,1,0,0|1,0,0]=3 1946 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [1,0,0,1,0,0|0,0,0]=2 1947 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [1,0,0,1,0,0|0,1,0]=3 1948 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [1,0,0,1,0,0|2,0,0]=4 1949 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [1,0,0,1,0,0|2,0,0]=4 1950 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [1,0,0,1,0,0|2,0,0]=4 1951 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [1,0,0,1,0,0|2,0,0]=4 1952 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [1,0,0,1,0,0|2,0,0]=4 1953 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [1,0,0,1,0,0|2,0,0]=4 1954 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [1,0,0,1,0,0|2,0,0]=4 1955 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [1,0,0,1,0,0|2,0,0]=4 1956 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [1,0,0,1,0,0|2,0,0]=4 1957 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [1,0,0,1,0,0|2,0,0]=4 1958 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [1,0,0,1,0,0|2,0,0]=4 1959 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [1,0,0,1,0,0|2,0,0]=4 1960 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [1,0,0,1,0,0|2,0,0]=4 1961 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [1,0,0,1,0,0|2,0,0]=4 1962 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [1,0,0,1,0,0|2,0,0]=4 1963 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [1,0,0,1,0,0|2,0,0]=4 1964 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [1,0,0,1,0,0|2,0,0]=4 1965 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [1,0,0,1,0,0|2,0,0]=4 1966 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [1,0,0,1,0,0|1,0,0]=3 1967 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [1,0,0,1,0,0|1,0,0]=3 1968 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [1,0,0,1,0,0|1,0,0]=3 1969 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [1,0,0,1,0,0|1,0,0]=3 1970 B9R1.6 O=C(O)C1CNCCS1 MCULE-3981762124 [1,0,0,1,0,0|1,1,0]=4 1971 B9R1.6 O=C(O)C1CNCCS1 MCULE-4631923202 [1,0,0,1,0,0|1,1,0]=4 1972 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [1,0,0,1,0,0|2,0,0]=4 1973 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [1,0,0,1,0,0|2,0,0]=4 1974 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [1,0,0,1,0,0|1,0,0]=3 1975 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [1,0,0,1,0,0|1,0,0]=3 1976 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [1,0,0,1,0,0|2,0,0]=4 1977 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [1,0,0,1,0,0|2,0,0]=4 1978 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [1,0,0,1,0,0|1,1,0]=4 1979 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [1,0,0,1,0,0|1,1,0]=4 1980 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [1,0,0,1,0,0|1,0,0]=3 1981 B9R1.6 O=C(O)C1SCCCS1 MCULE-6447130734 [1,0,0,1,0,0|1,1,0]=4 1982 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [1,0,0,1,0,0|2,0,0]=4 1983 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [1,0,0,1,0,0|2,0,0]=4 1984 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [1,0,0,1,0,0|1,0,0]=3 1985 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [1,0,0,1,0,0|1,0,0]=3 1986 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [1,0,0,1,0,0|1,0,0]=3 1987 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [1,0,0,1,0,0|1,0,0]=3 1988 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [1,0,0,1,0,0|0,0,0]=2 1989 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [1,0,0,1,0,0|0,0,0]=2 1990 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [1,0,0,1,0,0|2,0,0]=4 1991 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [1,0,0,1,0,0|2,0,0]=4 1992 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [1,0,0,1,0,0|2,0,0]=4 1993 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [1,0,0,1,0,0|2,0,0]=4 1994 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [1,0,0,1,0,0|2,0,0]=4 1995 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [1,0,0,1,0,0|2,0,0]=4 1996 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [1,0,0,1,0,0|2,0,0]=4 1997 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [1,0,0,1,0,0|2,0,0]=4 1998 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [1,0,0,1,0,0|2,0,0]=4 1999 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [1,0,0,1,0,0|2,0,0]=4 2000 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [1,0,0,1,0,0|2,0,0]=4 2001 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [1,0,0,1,0,0|2,0,0]=4 2002 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [1,0,0,1,0,0|2,0,0]=4 2003 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [1,0,0,1,0,0|1,0,0]=3 2004 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [1,0,0,1,0,0|1,0,0]=3 2005 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [1,0,0,1,0,0|1,0,0]=3 2006 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [1,0,0,1,0,0|1,0,0]=3 2007 B9R1.6 O=C(O)[C@@H]1CNCCS1 MCULE-6650545170 [1,0,0,1,0,0|1,1,0]=4 2008 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [1,0,0,1,0,0|2,0,0]=4 2009 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [1,0,0,1,0,0|2,0,0]=4 2010 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [1,0,0,1,0,0|2,0,0]=4 2011 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [1,0,0,1,0,0|2,0,0]=4 2012 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [1,0,0,1,0,0|1,0,0]=3 2013 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [1,0,0,1,0,0|1,0,0]=3 2014 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [1,0,0,1,0,0|2,0,0]=4 2015 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [1,0,0,1,0,0|2,0,0]=4 2016 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [1,0,0,1,0,0|2,0,0]=4 2017 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [1,0,0,1,0,0|1,0,0]=3 2018 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [1,0,0,1,0,0|1,0,0]=3 2019 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [1,0,0,1,0,0|1,0,0]=3 2020 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [1,0,0,1,0,0|1,0,0]=3 2021 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [1,0,0,1,0,0|0,0,0]=2 2022 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [1,0,0,1,0,0|0,0,0]=2 2023 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [1,0,0,1,0,0|2,0,0]=4 2024 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [1,0,0,1,0,0|2,0,0]=4 2025 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [1,0,0,1,0,0|2,0,0]=4 2026 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [1,0,0,1,0,0|2,0,0]=4 2027 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [1,0,0,1,0,0|2,0,0]=4 2028 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [1,0,0,1,0,0|2,0,0]=4 2029 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [1,0,0,1,0,0|2,0,0]=4 2030 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [1,0,0,1,0,0|2,0,0]=4 2031 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [1,0,0,1,0,0|2,0,0]=4 2032 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [1,0,0,1,0,0|2,0,0]=4 2033 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [1,0,0,1,0,0|2,0,0]=4 2034 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [1,0,0,1,0,0|2,0,0]=4 2035 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [1,0,0,1,0,0|2,0,0]=4 2036 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [1,0,0,1,0,0|2,0,0]=4 2037 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [1,0,0,1,0,0|1,0,0]=3 2038 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [1,0,0,1,0,0|1,0,0]=3 2039 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [1,0,0,1,0,0|1,0,0]=3 2040 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [1,0,0,1,0,0|1,0,0]=3 2041 B9R1.6 O=C(O)[C@H]1CNCCS1 MCULE-7818958113 [1,0,0,1,0,0|1,1,0]=4 2042 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [1,0,0,1,0,0|2,0,0]=4 2043 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [1,0,0,1,0,0|2,0,0]=4 2044 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [1,0,0,1,0,0|2,0,0]=4 2045 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [1,0,0,1,0,0|2,0,0]=4 2046 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [1,0,0,1,0,0|1,0,0]=3 2047 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [1,0,0,1,0,0|1,0,0]=3 2048 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [1,0,0,1,0,0|2,0,0]=4 2049 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [1,0,0,1,0,0|2,0,0]=4 2050 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [1,0,0,1,0,0|2,0,0]=4 2051 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [1,0,0,1,0,0|1,0,1]=4 2052 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [1,0,0,1,0,0|1,0,1]=4 2053 B9R1.6 O=S(O)C1CCCCC1 MCULE-2447383910 [1,0,0,1,0,0|2,0,0]=4 2054 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [1,0,0,1,0,0|2,0,0]=4 2055 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [1,0,0,1,0,0|1,0,0]=3 2056 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [1,0,0,1,0,0|1,0,0]=3 2057 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [1,0,0,1,0,0|2,0,0]=4 2058 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [1,0,0,1,0,0|2,0,0]=4 2059 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [1,0,0,1,0,0|1,0,0]=3 2060 B9R1.13 CC(=O)CC1OCCO1 MCULE-2632722648 [1,0,0,1,0,0|2,0,0]=4 2061 B9R1.13 CC(=O)OC1CCCO1 MCULE-9160883410 [1,0,0,1,0,0|2,0,0]=4 2062 B9R1.13 NC(=O)CC1CCCC1 MCULE-2082339108 [1,0,0,1,0,0|2,0,0]=4 2063 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [1,0,0,1,0,0|2,0,0]=4 2064 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [1,0,0,1,0,0|2,0,0]=4 2065 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [1,0,0,1,0,0|2,0,0]=4 2066 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [1,0,0,1,0,0|2,0,0]=4 2067 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [1,0,0,1,0,0|2,0,0]=4 2068 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [1,0,0,1,0,0|2,0,0]=4 2069 B9R1.13 NC(=S)CC1CCCO1 MCULE-7256451681 [1,0,0,1,0,0|1,1,0]=4 2070 B9R1.13 O=C(Cl)CC1CCCC1 MCULE-1532102571 [1,0,0,1,0,0|2,0,0]=4 2071 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [1,0,0,1,0,0|1,0,0]=3 2072 B9R1.13 O=C(O)CC1=CCCC1 MCULE-5115478269 [1,0,0,1,0,0|1,0,1]=4 2073 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [1,0,0,1,0,0|1,0,1]=4 2074 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [1,0,0,1,0,0|1,0,0]=3 2075 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [1,0,0,1,0,0|1,0,0]=3 2076 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [1,0,0,1,0,0|1,0,0]=3 2077 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [1,0,0,1,0,0|0,0,0]=2 2078 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [1,0,0,1,0,0|2,0,0]=4 2079 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [1,0,0,1,0,0|2,0,0]=4 2080 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [1,0,0,1,0,0|2,0,0]=4 2081 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [1,0,0,1,0,0|2,0,0]=4 2082 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [1,0,0,1,0,0|1,1,0]=4 2083 B9R1.13 O=C(O)CC1OCCO1 MCULE-2253063465 [1,0,0,1,0,0|1,0,0]=3 2084 B9R1.13 O=C(O)CN1CCCC1 MCULE-3979513963 [1,0,0,1,0,0|2,0,0]=4 2085 B9R1.13 O=C(O)CN1CCCC1 MCULE-4046939568 [1,0,0,1,0,0|2,0,0]=4 2086 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [1,0,0,1,0,0|1,0,0]=3 2087 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [1,0,0,1,0,0|1,0,0]=3 2088 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [1,0,0,1,0,0|1,0,0]=3 2089 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [1,0,0,1,0,0|0,0,0]=2 2090 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [1,0,0,1,0,0|2,0,0]=4 2091 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [1,0,0,1,0,0|2,0,0]=4 2092 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [1,0,0,1,0,0|2,0,0]=4 2093 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [1,0,0,1,0,0|2,0,0]=4 2094 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [1,0,0,1,0,0|2,0,0]=4 2095 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [1,0,0,1,0,0|2,0,0]=4 2096 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [1,0,0,1,0,0|1,0,0]=3 2097 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [1,0,0,1,0,0|1,0,0]=3 2098 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [1,0,0,1,0,0|1,0,0]=3 2099 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [1,0,0,1,0,0|1,0,0]=3 2100 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [1,0,0,1,0,0|2,0,0]=4 2101 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [1,0,0,1,0,0|2,0,0]=4 2102 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [1,0,0,1,0,0|2,0,0]=4 2103 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [1,0,0,1,0,0|2,0,0]=4 2104 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [1,0,0,1,0,0|2,0,0]=4 2105 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [1,0,0,1,0,0|2,0,0]=4 2106 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [1,0,0,1,0,0|1,0,0]=3 2107 B9R1.24 O=S1(=O)CCCC1CO MCULE-2122998276 [1,0,0,1,0,0|1,0,1]=4 2108 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [1,0,0,1,0,0|2,0,0]=4 2109 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [1,0,0,1,0,0|1,0,0]=3 2110 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [1,0,0,1,0,0|2,0,0]=4 2111 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [1,0,0,1,0,0|2,0,0]=4 2112 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [1,0,0,1,0,0|2,0,0]=4 2113 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [1,0,0,1,0,0|2,0,0]=4 2114 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [1,0,0,1,0,0|2,0,0]=4 2115 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [1,0,0,1,0,0|2,0,0]=4 2116 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [1,0,0,1,0,0|2,0,0]=4 2117 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [1,0,0,1,0,0|2,0,0]=4 2118 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [1,0,0,1,0,0|2,0,0]=4 2119 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [1,0,0,1,0,0|2,0,0]=4 2120 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [1,0,0,1,0,0|2,0,0]=4 2121 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [1,0,0,1,0,0|2,0,0]=4 2122 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [1,0,0,1,0,0|2,0,0]=4 2123 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [1,0,0,1,0,0|2,0,0]=4 2124 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [1,0,0,1,0,0|2,0,0]=4 2125 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [1,0,0,1,0,0|2,0,0]=4 2126 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [1,0,0,1,0,0|2,0,0]=4 2127 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [1,0,0,1,0,0|2,0,0]=4 2128 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [1,0,0,1,0,0|2,0,0]=4 2129 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [1,0,0,1,0,0|2,0,0]=4 2130 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [1,0,0,1,0,0|2,0,0]=4 2131 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [1,0,0,1,0,0|2,0,0]=4 2132 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [1,0,0,1,0,0|2,0,0]=4 2133 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [1,0,0,1,0,0|2,0,0]=4 2134 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [1,0,0,1,0,0|2,0,0]=4 2135 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [1,0,0,1,0,0|2,0,0]=4 2136 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [1,0,0,1,0,0|2,0,0]=4 2137 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [1,0,0,1,0,0|2,0,0]=4 2138 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [1,0,0,1,0,0|2,0,0]=4 2139 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [1,0,0,1,0,0|2,0,0]=4 2140 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [1,0,0,1,0,0|2,0,0]=4 2141 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [1,0,0,1,0,0|2,0,0]=4 2142 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [1,0,0,1,0,0|2,0,0]=4 2143 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [1,0,0,1,0,0|2,0,0]=4 2144 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [1,0,0,1,0,0|2,0,0]=4 2145 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [1,0,0,1,0,0|2,0,0]=4 2146 B9R1.41 NC(=O)C1CCCC1N MCULE-5593863466 [1,0,0,1,0,0|2,0,0]=4 2147 B9R1.41 NC(=O)C1CCCC1N MCULE-7208597206 [1,0,0,1,0,0|2,0,0]=4 2148 B9R1.41 NC(=O)C1NCCC1O MCULE-1947851170 [1,0,0,1,0,0|2,0,0]=4 2149 B9R1.41 NC(=O)C1NCCC1O MCULE-8983481897 [1,0,0,1,0,0|2,0,0]=4 2150 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-1275176642 [1,0,0,1,0,0|2,0,0]=4 2151 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2107283008 [1,0,0,1,0,0|2,0,0]=4 2152 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2865532845 [1,0,0,1,0,0|2,0,0]=4 2153 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-3874121291 [1,0,0,1,0,0|2,0,0]=4 2154 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [1,0,0,1,0,0|1,0,0]=3 2155 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-1119399523 [1,0,0,1,0,0|2,0,0]=4 2156 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-4733398267 [1,0,0,1,0,0|2,0,0]=4 2157 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8085547151 [1,0,0,1,0,0|2,0,0]=4 2158 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8491779714 [1,0,0,1,0,0|2,0,0]=4 2159 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [1,0,0,1,0,0|1,0,0]=3 2160 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [1,0,0,1,0,0|1,0,0]=3 2161 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [1,0,0,1,0,0|2,0,0]=4 2162 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [1,0,0,1,0,0|2,0,0]=4 2163 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [1,0,0,1,0,0|2,0,0]=4 2164 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [1,0,0,1,0,0|2,0,0]=4 2165 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [1,0,0,1,0,0|2,0,0]=4 2166 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [1,0,0,1,0,0|2,0,0]=4 2167 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [1,0,0,1,0,0|1,0,0]=3 2168 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [1,0,0,1,0,0|1,0,0]=3 2169 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [1,0,0,1,0,0|1,0,0]=3 2170 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [1,0,0,1,0,0|1,0,0]=3 2171 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [1,0,0,1,0,0|1,0,0]=3 2172 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [1,0,0,1,0,0|1,0,0]=3 2173 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [1,0,0,1,0,0|1,0,0]=3 2174 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [1,0,0,1,0,0|1,0,0]=3 2175 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [1,0,0,1,0,0|2,0,0]=4 2176 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [1,0,0,1,0,0|2,0,0]=4 2177 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [1,0,0,1,0,0|2,0,0]=4 2178 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [1,0,0,1,0,0|2,0,0]=4 2179 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [1,0,0,1,0,0|2,0,0]=4 2180 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [1,0,0,1,0,0|2,0,0]=4 2181 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [1,0,0,1,0,0|1,0,0]=3 2182 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [1,0,0,1,0,0|1,0,0]=3 2183 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [1,0,0,1,0,0|1,0,0]=3 2184 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [1,0,0,1,0,0|1,0,0]=3 2185 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [1,0,0,1,0,0|1,0,0]=3 2186 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [1,0,0,1,0,0|1,0,0]=3 2187 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [1,0,0,1,0,0|1,0,0]=3 2188 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [1,0,0,1,0,0|1,0,0]=3 2189 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [1,0,0,1,0,0|1,0,0]=3 2190 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [1,0,0,1,0,0|1,0,0]=3 2191 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [1,0,0,1,0,0|2,0,0]=4 2192 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [1,0,0,1,0,0|2,0,0]=4 2193 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [1,0,0,1,0,0|2,0,0]=4 2194 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [1,0,0,1,0,0|2,0,0]=4 2195 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [1,0,0,1,0,0|0,0,2]=4 2196 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [1,0,0,1,0,0|0,0,0]=2 2197 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [1,0,0,1,0,0|1,0,0]=3 2198 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [1,0,0,1,0,0|1,0,0]=3 2199 B9R1.41 O=C(O)C1COCC1F MCULE-8830875984 [1,0,0,1,0,0|2,0,0]=4 2200 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [1,0,0,1,0,0|2,0,0]=4 2201 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [1,0,0,1,0,0|2,0,0]=4 2202 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [1,0,0,1,0,0|1,0,0]=3 2203 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [1,0,0,1,0,0|1,0,0]=3 2204 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [1,0,0,1,0,0|1,0,0]=3 2205 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [1,0,0,1,0,0|2,0,0]=4 2206 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [1,0,0,1,0,0|2,0,0]=4 2207 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [1,0,0,1,0,0|1,0,0]=3 2208 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [1,0,0,1,0,0|1,0,0]=3 2209 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [1,0,0,1,0,0|1,0,0]=3 2210 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [1,0,0,1,0,0|1,0,0]=3 2211 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [1,0,0,1,0,0|1,0,0]=3 2212 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [1,0,0,1,0,0|2,0,0]=4 2213 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [1,0,0,1,0,0|2,0,0]=4 2214 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [1,0,0,1,0,0|1,0,0]=3 2215 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [1,0,0,1,0,0|1,0,0]=3 2216 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [1,0,0,1,0,0|1,0,0]=3 2217 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [1,0,0,1,0,0|1,0,0]=3 2218 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [1,0,0,1,0,0|1,0,0]=3 2219 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [1,0,0,1,0,0|0,0,0]=2 2220 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [1,0,0,1,0,0|2,0,0]=4 2221 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [1,0,0,1,0,0|2,0,0]=4 2222 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [1,0,0,1,0,0|2,0,0]=4 2223 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [1,0,0,1,0,0|2,0,0]=4 2224 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [1,0,0,1,0,0|1,0,0]=3 2225 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [1,0,0,1,0,0|1,0,0]=3 2226 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [1,0,0,1,0,0|1,0,0]=3 2227 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [1,0,0,1,0,0|2,0,0]=4 2228 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [1,0,0,1,0,0|1,0,0]=3 2229 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [1,0,0,1,0,0|1,0,0]=3 2230 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [1,0,0,1,0,0|1,0,0]=3 2231 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [1,0,0,1,0,0|1,0,0]=3 2232 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [1,0,0,1,0,0|1,0,0]=3 2233 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [1,0,0,1,0,0|1,0,0]=3 2234 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [1,0,0,1,0,0|1,0,0]=3 2235 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [1,0,0,1,0,0|1,0,0]=3 2236 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [1,0,0,1,0,0|1,0,0]=3 2237 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [1,0,0,1,0,0|2,0,0]=4 2238 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [1,0,0,1,0,0|2,0,0]=4 2239 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [1,0,0,1,0,0|2,0,0]=4 2240 B9R1.48 O=C1CCCCC(=O)O1 MCULE-7893102377 [1,0,0,1,0,0|0,0,2]=4 2241 B9R1.48 O=C1CCCCC(N1)O MCULE-6756895418 [1,0,0,1,0,0|1,0,0]=3 2242 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [1,0,0,1,0,0|1,0,0]=3 2243 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [1,0,0,1,0,0|1,0,0]=3 2244 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [1,0,0,1,0,0|1,0,0]=3 2245 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [1,0,0,1,0,0|1,0,0]=3 2246 B9R1.59 CCOC1CC1C(=O)O MCULE-2083001018 [1,0,0,1,0,0|2,0,0]=4 2247 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O MCULE-4372225112 [1,0,0,1,0,0|2,0,0]=4 2248 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O MCULE-5085446325 [1,0,0,1,0,0|2,0,0]=4 2249 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [1,0,0,1,0,0|2,0,0]=4 2250 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [1,0,0,1,0,0|1,0,0]=3 2251 B9R1.84 O=C(O)CCN1CCC1 MCULE-6537917818 [1,0,0,1,0,0|2,0,0]=4 2252 B9R1.84 O=C(O)CNC1CCC1 MCULE-3999560243 [1,0,0,1,0,0|2,0,0]=4 2253 B9R1.84 O=C(O)COC1CCC1 MCULE-3354883487 [1,0,0,1,0,0|2,0,0]=4 2254 B9R1.85 O=C(O)CCCC1CC1 MCULE-4019156455 [1,0,0,1,0,0|1,0,0]=3 2255 B9R1.85 O=C(O)CCNC1CC1 MCULE-2302148090 [1,0,0,1,0,0|2,0,0]=4 2256 B9R1.85 O=C(O)CCNC1CC1 MCULE-5027011962 [1,0,0,1,0,0|2,0,0]=4 2257 B9R1.85 O=C(O)CCOC1CC1 MCULE-6940104376 [1,0,0,1,0,0|2,0,0]=4 2258 B9R1.85 O=C(O)CCSC1CC1 MCULE-5319803876 [1,0,0,1,0,0|2,0,0]=4 2259 B9R1.85 O=C(O)CNCC1CC1 MCULE-2914571109 [1,0,0,1,0,0|2,0,0]=4 2260 B9R1.85 O=C(O)CNCC1CC1 MCULE-8479764724 [1,0,0,1,0,0|2,0,0]=4 2261 B9R1.85 O=C(O)COCC1CC1 MCULE-1838251623 [1,0,0,1,0,0|2,0,0]=4 2262 B9R1.85 O=C(O)CSCC1CC1 MCULE-7765855577 [1,0,0,1,0,0|2,0,0]=4 2263 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [1,0,0,1,0,0|1,0,0]=3 2264 B9R1.96 C1(NCC1CC)C(=O)O MCULE-9517338987 [1,0,0,1,0,0|2,0,0]=4 2265 B9R1.96 CC(=O)N1CCC1CO MCULE-2554026906 [1,0,0,1,0,0|2,0,0]=4 2266 B9R1.96 CCC1CNC1C(=O)O MCULE-5561702986 [1,0,0,1,0,0|2,0,0]=4 2267 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-1585063492 [1,0,0,1,0,0|2,0,0]=4 2268 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-7143773936 [1,0,0,1,0,0|2,0,0]=4 2269 B9R1.96 CCN1CCC1C(=O)O MCULE-9616158921 [1,0,0,1,0,0|2,0,0]=4 2270 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-1971461514 [1,0,0,1,0,0|2,0,0]=4 2271 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-4762142431 [1,0,0,1,0,0|2,0,0]=4 2272 B9R1.96 N#CC1CCC1C(=O)O MCULE-1939970378 [1,0,0,1,0,0|1,0,1]=4 2273 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [1,0,0,1,0,0|0,0,0]=2 2274 B9R1.96 O=C([O-])C1CCC1CO MCULE-8666321081 [1,0,0,1,0,0|0,0,1]=3 2275 B9R1.23 CN1CC(OC1=O)CO MCULE-5538633197 [1,0,0,1,0,0|2,0,0]=4 2276 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4135827262 [1,0,0,1,0,0|2,0,0]=4 2277 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4222195719 [1,0,0,1,0,0|2,0,0]=4 2278 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-5673899033 [1,0,0,1,0,0|2,0,0]=4 2279 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-7788246551 [1,0,0,1,0,0|2,0,0]=4 2280 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [1,0,0,1,0,0|2,0,0]=4 2281 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [1,0,0,1,0,0|2,0,0]=4 2282 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [1,0,0,1,0,0|0,0,2]=4 2283 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [1,0,0,1,0,0|0,0,2]=4 2284 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [1,0,0,1,0,0|2,0,0]=4 2285 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [1,0,0,1,0,0|1,0,0]=3 2286 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [1,0,0,1,0,0|0,0,0]=2 2287 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [1,0,0,1,0,0|0,0,0]=2 2288 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [1,0,0,1,0,0|1,0,0]=3 2289 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [1,0,0,1,0,0|2,0,0]=4 2290 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [1,0,0,1,0,0|2,0,0]=4 2291 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [1,0,0,1,0,0|2,0,0]=4 2292 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [1,0,0,1,0,0|1,0,0]=3 2293 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [1,0,0,1,0,0|1,0,0]=3 2294 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [1,0,0,1,0,0|2,0,0]=4 2295 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [1,0,0,1,0,0|2,0,0]=4 2296 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [1,0,0,1,0,0|2,0,0]=4 2297 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [1,0,0,1,0,0|2,0,0]=4 2298 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [1,0,0,1,0,0|2,0,0]=4 2299 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [1,0,0,1,0,0|2,0,0]=4 2300 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [1,0,0,1,0,0|2,0,0]=4 2301 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [1,0,0,1,0,0|2,0,0]=4 2302 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [1,0,0,1,0,0|0,0,0]=2 2303 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [1,0,0,1,0,0|0,0,0]=2 2304 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [1,0,0,1,0,0|1,0,0]=3 2305 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [1,0,0,1,0,0|1,0,0]=3 2306 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [1,0,0,1,0,0|0,0,0]=2 2307 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [1,0,0,1,0,0|0,0,0]=2 2308 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [1,0,0,1,0,0|0,0,0]=2 2309 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [1,0,0,1,0,0|0,0,0]=2 2310 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [1,0,0,1,0,0|0,0,0]=2 2311 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [1,0,0,1,0,0|0,0,0]=2 2312 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [1,0,0,1,0,0|2,0,0]=4 2313 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [1,0,0,1,0,0|2,0,0]=4 2314 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [1,0,0,1,0,0|2,0,0]=4 2315 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [1,0,0,1,0,0|2,0,0]=4 2316 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [1,0,0,1,0,0|0,0,0]=2 2317 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [1,0,0,1,0,0|0,0,0]=2 2318 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [1,0,0,1,0,0|0,0,0]=2 2319 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [1,0,0,1,0,0|0,0,0]=2 2320 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [1,0,0,1,0,0|2,0,0]=4 2321 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [1,0,0,1,0,0|2,0,0]=4 2322 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [1,0,0,1,0,0|2,0,0]=4 2323 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [1,0,0,1,0,0|2,0,0]=4 2324 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [1,0,0,1,0,0|2,0,0]=4 2325 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [1,0,0,1,0,0|2,0,0]=4 2326 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [1,0,0,1,0,0|2,0,0]=4 2327 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [1,0,0,1,0,0|2,0,0]=4 2328 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [1,0,0,1,0,0|2,0,0]=4 2329 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [1,0,0,1,0,0|2,0,0]=4 2330 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [1,0,0,1,0,0|2,0,0]=4 2331 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [1,0,0,1,0,0|2,0,0]=4 2332 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [1,0,0,1,0,0|2,0,0]=4 2333 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [1,0,0,1,0,0|2,0,0]=4 2334 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [1,0,0,1,0,0|2,0,0]=4 2335 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [1,0,0,1,0,0|2,0,0]=4 2336 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [1,0,0,1,0,0|2,0,0]=4 2337 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [1,0,0,1,0,0|2,0,0]=4 2338 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [1,0,0,1,0,0|2,0,0]=4 2339 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [1,0,0,1,0,0|2,0,0]=4 2340 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [1,0,0,1,0,0|2,0,0]=4 2341 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [1,0,0,1,0,0|2,0,0]=4 2342 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [1,0,0,1,0,0|2,0,0]=4 2343 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [1,0,0,1,0,0|2,0,0]=4 2344 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [1,0,0,1,0,0|1,0,1]=4 2345 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [1,0,0,1,0,0|2,0,0]=4 2346 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [1,0,0,1,0,0|2,0,0]=4 2347 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [1,0,0,1,0,0|2,0,0]=4 2348 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [1,0,0,1,0,0|2,0,0]=4 2349 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [1,0,0,1,0,0|1,0,0]=3 2350 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [1,0,0,1,0,0|2,0,0]=4 2351 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [1,0,0,1,0,0|2,0,0]=4 2352 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [1,0,0,1,0,0|1,0,0]=3 2353 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [1,0,0,1,0,0|1,0,0]=3 2354 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [1,0,0,1,0,0|1,0,0]=3 2355 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [1,0,0,1,0,0|2,0,0]=4 2356 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [1,0,0,1,0,0|2,0,0]=4 2357 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [1,0,0,1,0,0|2,0,0]=4 2358 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [1,0,0,1,0,0|2,0,0]=4 2359 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [1,0,0,1,0,0|2,0,0]=4 2360 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [1,0,0,1,0,0|2,0,0]=4 2361 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [1,0,0,1,0,0|2,0,0]=4 2362 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [1,0,0,1,0,0|2,0,0]=4 2363 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [1,0,0,1,0,0|2,0,0]=4 2364 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [1,0,0,1,0,0|1,0,0]=3 2365 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [1,0,0,1,0,0|1,0,0]=3 2366 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [1,0,0,1,0,0|1,0,0]=3 2367 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [1,0,0,1,0,0|2,0,0]=4 2368 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [1,0,0,1,0,0|2,0,0]=4 2369 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [1,0,0,1,0,0|2,0,0]=4 2370 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [1,0,0,1,0,0|2,0,0]=4 2371 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [1,0,0,1,0,0|2,0,0]=4 2372 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [1,0,0,1,0,0|2,0,0]=4 2373 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [1,0,0,1,0,0|2,0,0]=4 2374 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [1,0,0,1,0,0|2,0,0]=4 2375 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [1,0,0,1,0,0|2,0,0]=4 2376 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [1,0,0,1,0,0|0,0,2]=4 2377 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [1,0,0,1,0,0|0,0,2]=4 2378 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [1,0,0,1,0,0|0,0,2]=4 2379 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [1,0,0,1,0,0|0,0,2]=4 2380 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [1,0,0,1,0,0|0,0,2]=4 2381 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [1,0,0,1,0,0|0,0,2]=4 2382 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [1,0,0,1,0,0|0,0,2]=4 2383 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [1,0,0,1,0,0|2,0,0]=4 2384 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [1,0,0,1,0,0|2,0,0]=4 2385 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [1,0,0,1,0,0|2,0,0]=4 2386 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [1,0,0,1,0,0|2,0,0]=4 2387 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [1,0,0,1,0,0|0,0,2]=4 2388 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [1,0,0,1,0,0|2,0,0]=4 2389 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [1,0,0,1,0,0|1,0,0]=3 2390 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [1,0,0,1,0,0|0,0,2]=4 2391 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [1,0,0,1,0,0|0,0,0]=2 2392 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [1,0,0,1,0,0|1,0,0]=3 2393 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [1,0,0,1,0,0|1,0,0]=3 2394 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [1,0,0,1,0,0|2,0,0]=4 2395 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [1,0,0,1,0,0|2,0,0]=4 2396 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [1,0,0,1,0,0|2,0,0]=4 2397 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [1,0,0,1,0,0|2,0,0]=4 2398 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [1,0,0,1,0,0|2,0,0]=4 2399 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [1,0,0,1,0,0|2,0,0]=4 2400 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [1,0,0,1,0,0|2,0,0]=4 2401 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [1,0,0,1,0,0|2,0,0]=4 2402 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [1,0,0,1,0,0|2,0,0]=4 2403 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [1,0,0,1,0,0|2,0,0]=4 2404 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [1,0,0,1,0,0|2,0,0]=4 2405 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [1,0,0,1,0,0|2,0,0]=4 2406 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [1,0,0,1,0,0|1,0,0]=3 2407 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [1,0,0,1,0,0|1,0,0]=3 2408 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [1,0,0,1,0,0|1,0,0]=3 2409 B9R1.95 O=C([O-])[C@H]1C[C@@H](C1)CO MCULE-8717273234 [1,0,0,1,0,0|1,0,1]=4 2410 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [1,0,0,1,0,0|0,0,0]=2 2411 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [1,0,0,1,0,0|1,0,0]=3 2412 B9R1.110 C=C(C(=O)O)C1CCC1 MCULE-2578265979 [1,0,0,1,0,0|1,0,1]=4 2413 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [1,0,0,1,0,0|1,0,0]=3 2414 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [1,0,0,1,0,0|1,0,0]=3 2415 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [1,0,0,1,0,0|1,0,0]=3 2416 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-3425038216 [1,0,0,1,0,0|2,0,0]=4 2417 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-8368638713 [1,0,0,1,0,0|2,0,0]=4 2418 B9R1.110 CC(C(=O)O)C1COC1 MCULE-1438881074 [1,0,0,1,0,0|2,0,0]=4 2419 B9R1.110 CC(C(=O)O)N1CCC1 MCULE-9923940575 [1,0,0,1,0,0|2,0,0]=4 2420 B9R1.110 NC(=O)C(N)C1CCC1 MCULE-3518352563 [1,0,0,1,0,0|1,0,0]=3 2421 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [1,0,0,1,0,0|0,0,0]=2 2422 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [1,0,0,1,0,0|0,0,0]=2 2423 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [1,0,0,1,0,0|1,0,0]=3 2424 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [1,0,0,1,0,0|0,0,0]=2 2425 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [1,0,0,1,0,0|0,0,0]=2 2426 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [1,0,0,1,0,0|0,0,0]=2 2427 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [1,0,0,1,0,0|0,0,0]=2 2428 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [1,0,0,1,0,0|1,0,0]=3 2429 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [1,0,0,1,0,0|1,0,0]=3 2430 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [1,0,0,1,0,0|0,0,0]=2 2431 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [1,0,0,1,0,0|0,0,0]=2 2432 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [1,0,0,1,0,0|0,0,0]=2 2433 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [1,0,0,1,0,0|1,0,0]=3 2434 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [1,0,0,1,0,0|1,0,0]=3 2435 B9R1.110 O=C(O)C(=O)C1CCC1 MCULE-3680158952 [1,0,0,1,0,0|1,0,1]=4 2436 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [1,0,0,1,0,0|1,0,0]=3 2437 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [1,0,0,1,0,0|1,0,0]=3 2438 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [1,0,0,1,0,0|1,0,0]=3 2439 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [1,0,0,1,0,0|1,0,0]=3 2440 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [1,0,0,1,0,0|1,0,0]=3 2441 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [1,0,0,1,0,0|1,0,0]=3 2442 B9R1.112 CC(SC1CC1)C(=O)O MCULE-6918133296 [1,0,0,1,0,0|2,0,0]=4 2443 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [1,0,0,1,0,0|2,0,0]=4 2444 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [1,0,0,1,0,0|2,0,0]=4 2445 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-3167502244 [1,0,0,1,0,0|1,0,0]=3 2446 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-8140131300 [1,0,0,1,0,0|1,0,0]=3 2447 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-4142673004 [1,0,0,1,0,0|1,0,0]=3 2448 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-6535973441 [1,0,0,1,0,0|1,0,0]=3 2449 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [1,0,0,1,0,0|0,0,0]=2 2450 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [1,0,0,1,0,0|0,0,0]=2 2451 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [1,0,0,1,0,0|0,0,0]=2 2452 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [1,0,0,1,0,0|0,0,0]=2 2453 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [1,0,0,1,0,0|0,0,0]=2 2454 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [1,0,0,1,0,0|0,0,0]=2 2455 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [1,0,0,1,0,0|0,0,0]=2 2456 B9R1.112 O=C(O)C(=O)CC1CC1 MCULE-2914009662 [1,0,0,1,0,0|1,0,1]=4 2457 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [1,0,0,1,0,0|1,0,0]=3 2458 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [1,0,0,1,0,0|1,0,0]=3 2459 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [1,0,0,1,0,0|1,0,0]=3 2460 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [1,0,0,1,0,0|1,0,0]=3 2461 B9R1.163 CC(=O)C1(CCCC1)C MCULE-7946764519 [1,0,0,1,0,0|2,0,0]=4 2462 B9R1.163 CC(=O)C1(CCCC1)N MCULE-1766488888 [1,0,0,1,0,0|1,0,0]=3 2463 B9R1.163 CC(=O)C1(CCCC1)N MCULE-2390313394 [1,0,0,1,0,0|1,0,0]=3 2464 B9R1.163 CC(=O)C1(CCCC1)O MCULE-4607553416 [1,0,0,1,0,0|2,0,0]=4 2465 B9R1.163 CC(=O)C1(CCCO1)C MCULE-3832225855 [1,0,0,1,0,0|2,0,0]=4 2466 B9R1.163 CC1(CCCC1)C(=O)Cl MCULE-6905026517 [1,0,0,1,0,0|2,0,0]=4 2467 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [1,0,0,1,0,0|1,0,0]=3 2468 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [1,0,0,1,0,0|2,0,0]=4 2469 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [1,0,0,1,0,0|2,0,0]=4 2470 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [1,0,0,1,0,0|2,0,0]=4 2471 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [1,0,0,1,0,0|2,0,0]=4 2472 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [1,0,0,1,0,0|2,0,0]=4 2473 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [1,0,0,1,0,0|1,0,0]=3 2474 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [1,0,0,1,0,0|1,1,0]=4 2475 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [1,0,0,1,0,0|2,0,0]=4 2476 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [1,0,0,1,0,0|2,0,0]=4 2477 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [1,0,0,1,0,0|2,0,0]=4 2478 B9R1.163 CC1(OCCO1)C(=O)O MCULE-6576803543 [1,0,0,1,0,0|2,0,0]=4 2479 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [1,0,0,1,0,0|2,0,0]=4 2480 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [1,0,0,1,0,0|2,0,0]=4 2481 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [1,0,0,1,0,0|2,0,0]=4 2482 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [1,0,0,1,0,0|2,0,0]=4 2483 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [1,0,0,1,0,0|1,0,0]=3 2484 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [1,0,0,1,0,0|2,0,0]=4 2485 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [1,0,0,1,0,0|2,0,0]=4 2486 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [1,0,0,1,0,0|2,0,0]=4 2487 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [1,0,0,1,0,0|2,0,0]=4 2488 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [1,0,0,1,0,0|2,0,0]=4 2489 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [1,0,0,1,0,0|2,0,0]=4 2490 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [1,0,0,1,0,0|2,0,0]=4 2491 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [1,0,0,1,0,0|1,0,0]=3 2492 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [1,0,0,1,0,0|2,0,0]=4 2493 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [1,0,0,1,0,0|2,0,0]=4 2494 B9R1.163 NC(=O)C1(CCCC1)N MCULE-1603183997 [1,0,0,1,0,0|1,0,0]=3 2495 B9R1.163 NC(=O)C1(CCCC1)N MCULE-6535833155 [1,0,0,1,0,0|1,0,0]=3 2496 B9R1.163 NC(=O)C1(CCCC1)O MCULE-7750018506 [1,0,0,1,0,0|2,0,0]=4 2497 B9R1.163 NC(=O)C1(CCSC1)N MCULE-1255795217 [1,0,0,1,0,0|2,0,0]=4 2498 B9R1.163 NC(=S)C1(CCCC1)N MCULE-1374309481 [1,0,0,1,0,0|1,1,0]=4 2499 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-1445980877 [1,0,0,1,0,0|0,0,2]=4 2500 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-5381827504 [1,0,0,1,0,0|0,0,2]=4 2501 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [1,0,0,1,0,0|0,0,0]=2 2502 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [1,0,0,1,0,0|1,0,0]=3 2503 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [1,0,0,1,0,0|1,0,0]=3 2504 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [1,0,0,1,0,0|1,0,0]=3 2505 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [1,0,0,1,0,0|1,0,0]=3 2506 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [1,0,0,1,0,0|1,0,0]=3 2507 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [1,0,0,1,0,0|1,0,0]=3 2508 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [1,0,0,1,0,0|1,0,0]=3 2509 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [1,0,0,1,0,0|1,0,0]=3 2510 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [1,0,0,1,0,0|1,0,0]=3 2511 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [1,0,0,1,0,0|1,0,0]=3 2512 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [1,0,0,1,0,0|1,0,0]=3 2513 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [1,0,0,1,0,0|1,0,0]=3 2514 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [1,0,0,1,0,0|1,0,0]=3 2515 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [1,0,0,1,0,0|1,0,0]=3 2516 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [1,0,0,1,0,0|1,0,0]=3 2517 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [1,0,0,1,0,0|1,0,0]=3 2518 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [1,0,0,1,0,0|1,0,0]=3 2519 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [1,0,0,1,0,0|1,0,0]=3 2520 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [1,0,0,1,0,0|1,0,0]=3 2521 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [1,0,0,1,0,0|2,0,0]=4 2522 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [1,0,0,1,0,0|2,0,0]=4 2523 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [1,0,0,1,0,0|2,0,0]=4 2524 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [1,0,0,1,0,0|2,0,0]=4 2525 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [1,0,0,1,0,0|2,0,0]=4 2526 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [1,0,0,1,0,0|2,0,0]=4 2527 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [1,0,0,1,0,0|2,0,0]=4 2528 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [1,0,0,1,0,0|2,0,0]=4 2529 B11R1.43 O=C(O)CN1CCC(C1)CO MCULE-3062534752 [0,0,0,1,0,1|2,0,0]=4 2530 B11R1.43 O=C(O)N[C@H]1CN[C@@H](C1)CO MCULE-5452070148 [0,0,0,1,0,1|2,0,0]=4 2531 B11R1.43 O=C(O)N[C@H]1CN[C@@H](C1)CO MCULE-7337827798 [0,0,0,1,0,1|2,0,0]=4 2532 B11R1.77 CC(CC(=O)O)C1CCCO1 MCULE-2191602537 [0,0,0,1,0,1|1,0,0]=3 2533 B11R1.77 NC(CC(=O)O)C1CCCC1 MCULE-4991554039 [0,0,0,1,0,1|1,0,0]=3 2534 B11R1.77 NC(CC(=O)O)C1CCCC1 MCULE-7905241188 [0,0,0,1,0,1|1,0,0]=3 2535 B11R1.77 NC(CC(=O)O)C1CCCO1 MCULE-4387592760 [0,0,0,1,0,1|0,0,0]=2 2536 B11R1.77 NC(CC(=O)O)C1CCOC1 MCULE-1008314255 [0,0,0,1,0,1|2,0,0]=4 2537 B11R1.77 NC(CC(=O)O)C1CCOC1 MCULE-1132574665 [0,0,0,1,0,1|2,0,0]=4 2538 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 MCULE-1747031827 [0,0,0,1,0,1|1,0,0]=3 2539 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 MCULE-4983113984 [0,0,0,1,0,1|1,0,0]=3 2540 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 MCULE-5728767560 [0,0,0,1,0,1|1,0,0]=3 2541 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 MCULE-6540379516 [0,0,0,1,0,1|1,0,0]=3 2542 B11R1.77 O=C(O)CC(O)C1CCCC1 MCULE-9385191452 [0,0,0,1,0,1|2,0,0]=4 2543 B11R1.143 NC1CCCCCC1C(=O)O MCULE-8944650297 [0,0,0,1,0,1|1,0,0]=3 2544 B11R1.143 NC1CCCCCC1C(=O)O MCULE-9787960494 [0,0,0,1,0,1|1,0,0]=3 2545 B11R1.157 CC1CCCC(C1)CC(=O)O MCULE-8177394227 [0,0,0,1,0,1|2,0,0]=4 2546 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [0,0,0,1,0,1|0,0,2]=4 2547 B11R1.157 O=C(O)CN1CCCC(C1)O MCULE-4186047458 [0,0,0,1,0,1|2,0,0]=4 2548 B11R1.157 O=C(O)CN1CCC[C@@H](C1)O MCULE-3402932405 [0,0,0,1,0,1|2,0,0]=4 2549 B11R1.157 O=C(O)CN1CCC[C@H](C1)O MCULE-4870964189 [0,0,0,1,0,1|2,0,0]=4 2550 B11R1.230 CCCCC1OC(=O)CC1C MCULE-2892818509 [0,0,0,1,0,1|2,0,0]=4 2551 B11R1.742 CC(=O)CC1CCCCCN1 MCULE-2355996760 [0,0,0,1,0,1|2,0,0]=4 2552 B11R1.742 O=C(O)CC1CCCCCC1 MCULE-3247091796 [0,0,0,1,0,1|2,0,0]=4 2553 B11R1.928 CC1(CCCCC1)CC(=O)O MCULE-7882506747 [0,0,0,1,0,1|2,0,0]=4 2554 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4039201792 [0,0,0,1,0,1|2,0,0]=4 2555 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4397477502 [0,0,0,1,0,1|2,0,0]=4 2556 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-1663310557 [0,0,0,1,0,1|1,0,0]=3 2557 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-2879076377 [0,0,0,1,0,1|1,0,0]=3 2558 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-5652559264 [0,0,0,1,0,1|2,0,0]=4 2559 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-6139247914 [0,0,0,1,0,1|2,0,0]=4 2560 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-1850281708 [0,0,0,1,0,1|2,0,0]=4 2561 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-2706982629 [0,0,0,1,0,1|2,0,0]=4 2562 B11R1.928 NC1(CCSCC1)CC(=O)O MCULE-9758860021 [0,0,0,1,0,1|2,0,0]=4 2563 B11R1.928 O=C(O)CC1(CCCCC1)O MCULE-3422507323 [0,0,0,1,0,1|2,0,0]=4 2564 B11R1.35 CC(CC1CCCC1)C(=O)O MCULE-4740416028 [0,1,0,1,0,0|2,0,0]=4 2565 B11R1.35 CC(CC1CCCO1)C(=O)O MCULE-7589073159 [0,1,0,1,0,0|1,0,0]=3 2566 B11R1.35 CC(CN1CCCC1)C(=O)O MCULE-4567347321 [0,1,0,1,0,0|2,0,0]=4 2567 B11R1.35 CC(CN1CCCC1)C(=O)O MCULE-5119784094 [0,1,0,1,0,0|2,0,0]=4 2568 B11R1.35 CC(OC1CCCC1)C(=O)O MCULE-1939663211 [0,1,0,1,0,0|2,0,0]=4 2569 B11R1.35 CC(SC1CCCC1)C(=O)O MCULE-8601302391 [0,1,0,1,0,0|2,0,0]=4 2570 B11R1.35 C[C@H](NC1CCCC1)C(=O)O MCULE-2121383669 [0,1,0,1,0,0|2,0,0]=4 2571 B11R1.35 NC(CC1=CCCC1)C(=O)O MCULE-1666440268 [0,1,0,1,0,0|1,0,0]=3 2572 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-2541402745 [0,1,0,1,0,0|1,0,0]=3 2573 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-3851918025 [0,1,0,1,0,0|1,0,0]=3 2574 B11R1.35 NC(CC1CCCO1)C(=O)O MCULE-3710409199 [0,1,0,1,0,0|0,0,0]=2 2575 B11R1.35 NC(CC1CCNC1)C(=O)O MCULE-9242342673 [0,1,0,1,0,0|1,0,0]=3 2576 B11R1.35 NC(CC1CCOC1)C(=O)O MCULE-2796794328 [0,1,0,1,0,0|0,0,0]=2 2577 B11R1.35 NC(CC1CCOC1)C(=O)O MCULE-3511340633 [0,1,0,1,0,0|0,0,0]=2 2578 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-1528714518 [0,1,0,1,0,0|1,0,0]=3 2579 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-5537876142 [0,1,0,1,0,0|1,0,0]=3 2580 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-1482788952 [0,1,0,1,0,0|1,0,0]=3 2581 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-8118301255 [0,1,0,1,0,0|1,0,0]=3 2582 B11R1.35 N[C@@H](CC1CCNC1)C(=O)O MCULE-9017826833 [0,1,0,1,0,0|1,0,0]=3 2583 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-5950406860 [0,1,0,1,0,0|0,0,0]=2 2584 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-6688710534 [0,1,0,1,0,0|0,0,0]=2 2585 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-7951834658 [0,1,0,1,0,0|0,0,0]=2 2586 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-2021631405 [0,1,0,1,0,0|1,0,0]=3 2587 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-6544324630 [0,1,0,1,0,0|1,0,0]=3 2588 B11R1.35 N[C@H](CC1CCNC1)C(=O)O MCULE-1596977678 [0,1,0,1,0,0|1,0,0]=3 2589 B11R1.35 N[C@H](CC1CCOC1)C(=O)O MCULE-1362869168 [0,1,0,1,0,0|0,0,0]=2 2590 B11R1.35 O=C(O)C(F)CC1CCCC1 MCULE-9273579138 [0,1,0,1,0,0|2,0,0]=4 2591 B11R1.74 CC1CC(CC(C1)C(=O)O)C MCULE-4414065035 [0,1,0,1,0,0|2,0,0]=4 2592 B11R1.74 C[C@@H]1CC(C[C@@H](C1)C)C(=O)O MCULE-8476320504 [0,1,0,1,0,0|2,0,0]=4 2593 B11R1.74 C[C@@H]1C[C@@H](C[C@@H](C1)C)C(=O)O MCULE-7313940085 [0,1,0,1,0,0|2,0,0]=4 2594 B11R1.124 C#CCC1CNC(C1)C(=O)O MCULE-1007702144 [0,1,0,1,0,0|1,0,1]=4 2595 B11R1.124 C#CCC1CNC(C1)C(=O)O MCULE-8985950522 [0,1,0,1,0,0|1,0,1]=4 2596 B11R1.124 C#CC[C@H]1CN[C@@H](C1)C(=O)O MCULE-1204374334 [0,1,0,1,0,0|1,0,1]=4 2597 B11R1.124 C#CC[C@H]1CN[C@@H](C1)C(=O)O MCULE-1775730985 [0,1,0,1,0,0|1,0,1]=4 2598 B11R1.124 C#CC[C@H]1CN[C@@H](C1)C(=O)O MCULE-2867557338 [0,1,0,1,0,0|1,0,1]=4 2599 B11R1.124 C#CC[C@H]1CN[C@@H](C1)C(=O)O MCULE-9622349016 [0,1,0,1,0,0|1,0,1]=4 2600 B11R1.124 C=CC[C@H]1CN[C@@H](C1)C(=O)O MCULE-7811782520 [0,1,0,1,0,0|1,0,1]=4 2601 B11R1.124 C=CC[C@H]1CN[C@@H](C1)C(=O)O MCULE-8003555600 [0,1,0,1,0,0|1,0,1]=4 2602 B11R1.124 CCCC1NC(CS1)C(=O)O MCULE-9232736607 [0,1,0,1,0,0|1,0,0]=3 2603 B11R1.497 NC1CCCCC(C1)C(=O)O MCULE-6764464855 [0,1,0,1,0,0|2,0,0]=4 2604 B11R1.497 O=C(O)C1CCCCC(C1)O MCULE-8775414897 [0,1,0,1,0,0|1,0,0]=3 2605 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,1,0,1,0,0|1,0,1]=4 2606 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [0,1,0,1,0,0|0,0,1]=3 2607 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [0,1,0,1,0,0|0,0,2]=4 2608 B11R1.667 CC1(CC(CCO1)N)C(=O)O MCULE-4479358294 [0,1,0,1,0,0|1,0,0]=3 2609 B11R1.667 CC1(CC(CCO1)N)C(=O)O MCULE-7328807092 [0,1,0,1,0,0|1,0,0]=3 2610 B11R1.667 CC1CC(CCO1)(N)C(=O)O MCULE-2481658934 [0,1,0,1,0,0|2,0,0]=4 2611 B11R1.667 CC1CC(CCO1)(N)C(=O)O MCULE-5146905630 [0,1,0,1,0,0|2,0,0]=4 2612 B11R1.667 CC1CCCC(C1)(N)C(=O)N MCULE-1803408408 [0,1,0,1,0,0|2,0,0]=4 2613 B11R1.667 CC1CCCC(C1)(N)C(=O)O MCULE-7952794030 [0,1,0,1,0,0|1,0,0]=3 2614 B11R1.1112 CC1(CCC1)C[C@@H](N)C(=O)O MCULE-4705541348 [0,1,0,1,0,0|1,0,0]=3 2615 B11R1.1112 CC1(CCC1)C[C@H](N)C(=O)O MCULE-5586490325 [0,1,0,1,0,0|1,0,0]=3 2616 B11R1.173 CC(C)(C(=O)O)C1CCCC1 MCULE-5248636717 [0,1,0,1,0,0|2,0,0]=4 2617 B11R1.173 CC(C)(C(=O)O)C1CCCO1 MCULE-3286369410 [0,1,0,1,0,0|1,0,0]=3 2618 B11R1.173 O=C(O)C(F)(F)C1CCCC1 MCULE-3335249357 [0,1,0,1,0,0|2,0,0]=4 2619 B11R1.715 CC(C)(CC1CCC1)C(=O)O MCULE-2835120909 [0,1,0,1,0,0|2,0,0]=4 2620 B11R1.737 CC1(CCCCCC1)C(=O)O MCULE-3584192725 [0,1,0,1,0,0|2,0,0]=4 2621 B11R1.737 NC(=O)C1(CCCCCC1)N MCULE-6163613760 [0,1,0,1,0,0|2,0,0]=4 2622 B11R1.737 NC1(CCCCCC1)C(=O)O MCULE-6498749639 [0,1,0,1,0,0|1,0,0]=3 2623 B11R1.737 NC1(CCCNCC1)C(=O)O MCULE-7153988486 [0,1,0,1,0,0|1,0,0]=3 2624 B11R1.737 O=C(O)C1(CCCCCC1)O MCULE-7470096721 [0,1,0,1,0,0|2,0,0]=4 2625 B11R1.1229 CCC1CCC(C1)(O)C(=O)O MCULE-3641341110 [0,1,0,1,0,0|2,0,0]=4 2626 B11R1.36 CC(C(=O)O)C1CCCCC1 MCULE-7073762782 [0,1,0,1,0,0|2,0,0]=4 2627 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-1056232308 [0,1,0,1,0,0|2,0,0]=4 2628 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-9936644185 [0,1,0,1,0,0|2,0,0]=4 2629 B11R1.36 CC(C(=O)O)C1CCOCC1 MCULE-2495920353 [0,1,0,1,0,0|2,0,0]=4 2630 B11R1.36 CC(C(=O)O)N1CCCCC1 MCULE-8781256011 [0,1,0,1,0,0|2,0,0]=4 2631 B11R1.36 CC(C(=O)O)N1CCCCC1 MCULE-9082142746 [0,1,0,1,0,0|2,0,0]=4 2632 B11R1.36 C[C@@H](C(=O)O)C1CCCCC1 MCULE-1380670662 [0,1,0,1,0,0|2,0,0]=4 2633 B11R1.36 C[C@H](C(=O)O)C1CCCCC1 MCULE-6704404403 [0,1,0,1,0,0|2,0,0]=4 2634 B11R1.36 NC(=O)C(N)C1CCCCC1 MCULE-4289358018 [0,1,0,1,0,0|2,0,0]=4 2635 B11R1.36 NC(C(=O)O)C1CC=CCC1 MCULE-8998480466 [0,1,0,1,0,0|1,0,1]=4 2636 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-1846014205 [0,1,0,1,0,0|1,0,0]=3 2637 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-2033801873 [0,1,0,1,0,0|1,0,0]=3 2638 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-4412820367 [0,1,0,1,0,0|1,0,0]=3 2639 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-6865831162 [0,1,0,1,0,0|1,0,0]=3 2640 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-4787612648 [0,1,0,1,0,0|1,0,0]=3 2641 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-7916436523 [0,1,0,1,0,0|1,0,0]=3 2642 B11R1.36 NC(C(=O)O)C1CCCNC1 MCULE-5536275038 [0,1,0,1,0,0|1,0,0]=3 2643 B11R1.36 NC(C(=O)O)C1CCCOC1 MCULE-6641388094 [0,1,0,1,0,0|0,0,0]=2 2644 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-3326635011 [0,1,0,1,0,0|1,0,0]=3 2645 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-5860428330 [0,1,0,1,0,0|1,0,0]=3 2646 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-9241993616 [0,1,0,1,0,0|1,0,0]=3 2647 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-3443210425 [0,1,0,1,0,0|1,0,0]=3 2648 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-4731070853 [0,1,0,1,0,0|1,0,0]=3 2649 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6698336499 [0,1,0,1,0,0|1,0,0]=3 2650 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6855404620 [0,1,0,1,0,0|1,0,0]=3 2651 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4067475583 [0,1,0,1,0,0|1,0,0]=3 2652 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4605949678 [0,1,0,1,0,0|1,0,0]=3 2653 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-7160845829 [0,1,0,1,0,0|1,0,0]=3 2654 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-8127248642 [0,1,0,1,0,0|1,0,0]=3 2655 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1545974835 [0,1,0,1,0,0|1,0,0]=3 2656 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1933038118 [0,1,0,1,0,0|1,0,0]=3 2657 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-2164840222 [0,1,0,1,0,0|1,0,0]=3 2658 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9858528992 [0,1,0,1,0,0|1,0,0]=3 2659 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9914793144 [0,1,0,1,0,0|1,0,0]=3 2660 B11R1.36 N[C@H](C(=O)O)C1CCNCC1 MCULE-3998200055 [0,1,0,1,0,0|1,0,0]=3 2661 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-2693360453 [0,1,0,1,0,0|1,0,0]=3 2662 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-5518278339 [0,1,0,1,0,0|1,0,0]=3 2663 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-9024352263 [0,1,0,1,0,0|1,0,0]=3 2664 B11R1.36 O=C(O)C(F)C1CCCCC1 MCULE-1489080540 [0,1,0,1,0,0|2,0,0]=4 2665 B11R1.36 O=C(O)C(F)C1CCOCC1 MCULE-4691952590 [0,1,0,1,0,0|2,0,0]=4 2666 B11R1.36 O=C(O)C(O)C1CCCCC1 MCULE-1137791149 [0,1,0,1,0,0|2,0,0]=4 2667 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-1767872209 [0,1,0,1,0,0|2,0,0]=4 2668 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-6745265789 [0,1,0,1,0,0|2,0,0]=4 2669 B11R1.36 O=C(O)C(O)C1CCOCC1 MCULE-5923962415 [0,1,0,1,0,0|2,0,0]=4 2670 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 MCULE-2724503390 [0,1,0,1,0,0|2,0,0]=4 2671 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 MCULE-6659758826 [0,1,0,1,0,0|2,0,0]=4 2672 B11R1.36 O=C(O)[C@@H](O)C1CCOCC1 MCULE-6979522096 [0,1,0,1,0,0|2,0,0]=4 2673 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 MCULE-2949323528 [0,1,0,1,0,0|2,0,0]=4 2674 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 MCULE-3804932181 [0,1,0,1,0,0|2,0,0]=4 2675 B11R1.36 [C@@H]1(CCCNC1)C(N)C(=O)O MCULE-6149074850 [0,1,0,1,0,0|1,0,0]=3 2676 B11R1.36 [C@@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7684614655 [0,1,0,1,0,0|1,0,0]=3 2677 B11R1.36 [C@@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-3256486770 [0,1,0,1,0,0|1,0,0]=3 2678 B11R1.36 [C@H](N)(C(=O)O)C1CCCCC1 MCULE-2416228483 [0,1,0,1,0,0|1,0,0]=3 2679 B11R1.36 [C@H]1(CCCNC1)C(N)C(=O)O MCULE-3096261009 [0,1,0,1,0,0|1,0,0]=3 2680 B11R1.36 [C@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7922011516 [0,1,0,1,0,0|1,0,0]=3 2681 B11R1.36 [C@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-6518139620 [0,1,0,1,0,0|1,0,0]=3 2682 B11R1.211 CCCCC1CC(C1)C(=O)O MCULE-5371999709 [0,1,0,1,0,0|2,0,0]=4 2683 B11R1.211 CCCOC1CC(C1)C(=O)O MCULE-9981862132 [0,1,0,1,0,0|2,0,0]=4 2684 B11R1.211 O=C(O)C1CC(C1)OCCF MCULE-4299775378 [0,1,0,1,0,0|2,0,0]=4 2685 B11R1.266 CCC1CC(CCO1)C(=O)O MCULE-2078111514 [0,1,0,1,0,0|2,0,0]=4 2686 B11R1.266 CCC1CCCC(N1)C(=O)O MCULE-7713794654 [0,1,0,1,0,0|1,0,0]=3 2687 B11R1.266 CCN1CCCC(C1)C(=O)O MCULE-6025646187 [0,1,0,1,0,0|2,0,0]=4 2688 B11R1.266 CCN1CCCC(C1)C(=O)O MCULE-9624023787 [0,1,0,1,0,0|2,0,0]=4 2689 B11R1.266 COC1CCCC(C1)C(=O)O MCULE-5456384162 [0,1,0,1,0,0|1,0,0]=3 2690 B11R1.266 COC1CCNC(C1)C(=O)O MCULE-4331709048 [0,1,0,1,0,0|2,0,0]=4 2691 B11R1.266 COC1CCNC(C1)C(=O)O MCULE-4664523841 [0,1,0,1,0,0|2,0,0]=4 2692 B11R1.266 CO[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-3625899999 [0,1,0,1,0,0|2,0,0]=4 2693 B11R1.266 CO[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5992517897 [0,1,0,1,0,0|2,0,0]=4 2694 B11R1.266 CO[C@H]1CCC[C@H](C1)C(=O)O MCULE-4087120684 [0,1,0,1,0,0|1,0,0]=3 2695 B11R1.266 CO[C@H]1CCN[C@@H](C1)C(=O)O MCULE-9935444947 [0,1,0,1,0,0|2,0,0]=4 2696 B11R1.266 CO[C@H]1CCN[C@H](C1)C(=O)O MCULE-1244366233 [0,1,0,1,0,0|2,0,0]=4 2697 B11R1.266 O=C(O)C1CCCC(=NO)C1 MCULE-8609222770 [0,1,0,1,0,0|1,0,1]=4 2698 B11R1.266 O=C(O)C1CCCC(C1)CO MCULE-5244716212 [0,1,0,1,0,0|1,0,0]=3 2699 B11R1.333 N[C@@H](CSCC1CC1)C(=O)O MCULE-9207009799 [0,1,0,1,0,0|1,0,0]=3 2700 B11R1.421 CC1(CNCC1CO)C(=O)O MCULE-1211332040 [0,1,0,1,0,0|1,0,0]=3 2701 B11R1.421 CCC1CCCC1(C)C(=O)O MCULE-6788329721 [0,1,0,1,0,0|2,0,0]=4 2702 B11R1.421 CCC1CNCC1(C)C(=O)O MCULE-6125923217 [0,1,0,1,0,0|2,0,0]=4 2703 B11R1.520 CC1CCCCC1(N)C(=O)O MCULE-7674467260 [0,1,0,1,0,0|1,0,0]=3 2704 B11R1.520 CC1CCCCC1(O)C(=O)O MCULE-4831471383 [0,1,0,1,0,0|2,0,0]=4 2705 B11R1.520 CN1CCCCC1(C)C(=O)O MCULE-8543610232 [0,1,0,1,0,0|2,0,0]=4 2706 B11R1.706 O=C(O)C1CCCCCCC1 MCULE-7220278799 [0,1,0,1,0,0|2,0,0]=4 2707 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [0,1,0,1,0,0|1,0,0]=3 2708 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [0,1,0,1,0,0|1,0,0]=3 2709 B11R1.314 C[C@H]1C=C[C@@H](O1)[C@H](N)C(=O)O MCULE-9150126296 [0,1,0,1,0,0|0,0,2]=4 2710 B11R1.314 NC(C(=O)O)C1CC(=NO1)Cl MCULE-6867984598 [0,1,0,1,0,0|1,0,1]=4 2711 B11R1.314 N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl MCULE-8014869234 [0,1,0,1,0,0|1,0,1]=4 2712 B11R1.314 N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl MCULE-8912888459 [0,1,0,1,0,0|1,0,1]=4 2713 B11R1.314 [C@H]1(CC(=NO1)Cl)[C@H](N)C(=O)O MCULE-3772225791 [0,1,0,1,0,0|1,0,1]=4 2714 B11R1.3 CCC1CCC(CC1)C(=O)O MCULE-3132418894 [0,1,0,1,0,0|2,0,0]=4 2715 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)O MCULE-6485034715 [0,1,0,1,0,0|2,0,0]=4 2716 B11R1.3 NCC1CCC(CC1)C(=O)O MCULE-6116475175 [0,1,0,1,0,0|2,0,0]=4 2717 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(=O)O MCULE-6087008336 [0,1,0,1,0,0|2,0,0]=4 2718 B11R1.3 NC[C@H]1CC[C@H](CC1)C(=O)O MCULE-1914632389 [0,1,0,1,0,0|2,0,0]=4 2719 B11R1.3 NC[C@H]1CC[C@H](CC1)C(=O)O MCULE-6012248882 [0,1,0,1,0,0|2,0,0]=4 2720 B11R1.3 O=C(O)C1CCC(CC1)CBr MCULE-1483354720 [0,1,0,1,0,0|2,0,0]=4 2721 B11R1.3 O=C(O)C1CCC(CC1)CO MCULE-2678326595 [0,1,0,1,0,0|1,0,0]=3 2722 B11R1.3 O=C(O)[C@H]1CC[C@@H](CC1)CO MCULE-5678408450 [0,1,0,1,0,0|1,0,0]=3 2723 B11R1.3 O=C(O)[C@H]1CC[C@H](CC1)CO MCULE-8982391334 [0,1,0,1,0,0|1,0,0]=3 2724 B11R1.21 CC1CCC(CC1C)C(=O)O MCULE-5819111297 [0,1,0,1,0,0|2,0,0]=4 2725 B11R1.21 CC1CCC(CC1N)C(=O)O MCULE-3503061214 [0,1,0,1,0,0|2,0,0]=4 2726 B11R1.21 N[C@H]1CC[C@H](C[C@@H]1O)C(=O)O MCULE-5165144051 [0,1,0,1,0,0|1,0,0]=3 2727 B11R1.21 N[C@H]1CC[C@H](C[C@@H]1O)C(=O)O MCULE-9735389419 [0,1,0,1,0,0|1,0,0]=3 2728 B11R1.21 N[C@H]1C[C@@H](CC[C@@H]1O)C(=O)O MCULE-8546749927 [0,1,0,1,0,0|2,0,0]=4 2729 B11R1.21 N[C@H]1C[C@@H](CC[C@@H]1O)C(=O)O MCULE-9445334860 [0,1,0,1,0,0|2,0,0]=4 2730 B11R1.220 CC1(CCC(CC1)O)C(=O)O MCULE-4694168525 [0,1,0,1,0,0|2,0,0]=4 2731 B11R1.220 CC1CCC(CC1)(C)C(=O)O MCULE-7822016719 [0,1,0,1,0,0|2,0,0]=4 2732 B11R1.220 CC1CCC(CC1)(F)C(=O)O MCULE-8829791353 [0,1,0,1,0,0|2,0,0]=4 2733 B11R1.220 CC1CCC(CC1)(N)C(=O)N MCULE-1630564728 [0,1,0,1,0,0|2,0,0]=4 2734 B11R1.220 CC1CCC(CC1)(N)C(=O)O MCULE-7735898604 [0,1,0,1,0,0|1,0,0]=3 2735 B11R1.220 CC1CCC(CC1)(O)C(=O)O MCULE-2392362320 [0,1,0,1,0,0|2,0,0]=4 2736 B11R1.220 CN1CCC(CC1)(N)C(=O)O MCULE-7077088205 [0,1,0,1,0,0|2,0,0]=4 2737 B11R1.220 CN1CCC(CC1)(N)C(=O)O MCULE-9740380672 [0,1,0,1,0,0|2,0,0]=4 2738 B11R1.220 C[C@@]1(CC[C@@H](CC1)O)C(=O)O MCULE-5793928535 [0,1,0,1,0,0|2,0,0]=4 2739 B11R1.220 NC1(CCC(=O)CC1)C(=O)O MCULE-6857901798 [0,1,0,1,0,0|1,0,1]=4 2740 B11R1.220 NC1CCC(CC1)(O)C(=O)O MCULE-8309786604 [0,1,0,1,0,0|2,0,0]=4 2741 B11R1.226 O=C1O[C@@H](C[C@H]1O)[C@H](O)CO MCULE-2087599071 [0,1,0,1,0,0|1,0,0]=3 2742 B11R1.744 CC1(N=N1)CC[C@H](N)C(=O)O MCULE-7373043217 [0,1,0,1,0,0|2,0,0]=4 2743 B11R1.23 COC(=O)C1CC(CCN1)O MCULE-1497004684 [0,1,0,1,0,0|2,0,0]=4 2744 B11R1.23 COC(=O)C1CC(CCN1)O MCULE-7170666495 [0,1,0,1,0,0|2,0,0]=4 2745 B11R1.23 COC(=O)C1CCCC(=O)N1 MCULE-8690572370 [0,1,0,1,0,0|0,0,2]=4 2746 B11R1.23 COC(=O)C1CCCC(C1)C MCULE-4272190031 [0,1,0,1,0,0|2,0,0]=4 2747 B11R1.23 COC(=O)C1CCCC(C1)N MCULE-2634773813 [0,1,0,1,0,0|2,0,0]=4 2748 B11R1.23 COC(=O)C1CCCC(C1)N MCULE-5676579524 [0,1,0,1,0,0|2,0,0]=4 2749 B11R1.23 COC(=O)C1CCCC(C1)O MCULE-7531952837 [0,1,0,1,0,0|1,0,0]=3 2750 B11R1.23 COC(=O)C1CCCC(N1)C MCULE-7945233826 [0,1,0,1,0,0|1,0,0]=3 2751 B11R1.23 COC(=O)C1CNCC(C1)O MCULE-8962874525 [0,1,0,1,0,0|2,0,0]=4 2752 B11R1.23 COC(=O)C1CNCC(C1)O MCULE-9903585063 [0,1,0,1,0,0|2,0,0]=4 2753 B11R1.23 COC(=O)C1COCC(C1)O MCULE-1450615868 [0,1,0,1,0,0|2,0,0]=4 2754 B11R1.23 COC(=O)C1COCC(N1)C MCULE-5531646699 [0,1,0,1,0,0|2,0,0]=4 2755 B11R1.23 COC(=O)N1CCCC(C1)O MCULE-2922700960 [0,1,0,1,0,0|2,0,0]=4 2756 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)C MCULE-1409445255 [0,1,0,1,0,0|2,0,0]=4 2757 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)N MCULE-1032335921 [0,1,0,1,0,0|2,0,0]=4 2758 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)N MCULE-4186486646 [0,1,0,1,0,0|2,0,0]=4 2759 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)N MCULE-4922382608 [0,1,0,1,0,0|2,0,0]=4 2760 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)N MCULE-6734699447 [0,1,0,1,0,0|2,0,0]=4 2761 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)O MCULE-2826570915 [0,1,0,1,0,0|1,0,0]=3 2762 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)O MCULE-5275681878 [0,1,0,1,0,0|1,0,0]=3 2763 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N MCULE-2795807911 [0,1,0,1,0,0|2,0,0]=4 2764 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N MCULE-4127929384 [0,1,0,1,0,0|2,0,0]=4 2765 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N MCULE-4717498053 [0,1,0,1,0,0|2,0,0]=4 2766 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N MCULE-9372091760 [0,1,0,1,0,0|2,0,0]=4 2767 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)O MCULE-1752010928 [0,1,0,1,0,0|1,0,0]=3 2768 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)O MCULE-3751397536 [0,1,0,1,0,0|1,0,0]=3 2769 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O MCULE-1560155771 [0,1,0,1,0,0|2,0,0]=4 2770 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O MCULE-4264457030 [0,1,0,1,0,0|2,0,0]=4 2771 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O MCULE-6232000722 [0,1,0,1,0,0|2,0,0]=4 2772 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O MCULE-8711787558 [0,1,0,1,0,0|2,0,0]=4 2773 B11R1.23 COC(=O)[C@@H]1C[C@H](CCN1)O MCULE-4467656117 [0,1,0,1,0,0|2,0,0]=4 2774 B11R1.23 COC(=O)[C@@H]1C[C@H](CCN1)O MCULE-5992101405 [0,1,0,1,0,0|2,0,0]=4 2775 B11R1.23 COC(=O)[C@@H]1C[C@H](CCN1)O MCULE-6317611644 [0,1,0,1,0,0|2,0,0]=4 2776 B11R1.23 COC(=O)[C@@H]1C[C@H](CCN1)O MCULE-6996533131 [0,1,0,1,0,0|2,0,0]=4 2777 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 MCULE-8974857056 [0,1,0,1,0,0|0,0,2]=4 2778 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)C MCULE-8236622513 [0,1,0,1,0,0|2,0,0]=4 2779 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)N MCULE-2543113082 [0,1,0,1,0,0|2,0,0]=4 2780 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)N MCULE-6222782588 [0,1,0,1,0,0|2,0,0]=4 2781 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)N MCULE-6374651784 [0,1,0,1,0,0|2,0,0]=4 2782 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)N MCULE-9189210669 [0,1,0,1,0,0|2,0,0]=4 2783 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)O MCULE-1036732191 [0,1,0,1,0,0|1,0,0]=3 2784 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)O MCULE-7022445698 [0,1,0,1,0,0|1,0,0]=3 2785 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)N MCULE-1272125797 [0,1,0,1,0,0|2,0,0]=4 2786 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)N MCULE-3188707822 [0,1,0,1,0,0|2,0,0]=4 2787 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)N MCULE-4975583110 [0,1,0,1,0,0|2,0,0]=4 2788 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)N MCULE-8631497838 [0,1,0,1,0,0|2,0,0]=4 2789 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)O MCULE-2298116384 [0,1,0,1,0,0|1,0,0]=3 2790 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)O MCULE-4413710460 [0,1,0,1,0,0|1,0,0]=3 2791 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)O MCULE-9938371951 [0,1,0,1,0,0|1,0,0]=3 2792 B11R1.23 COC(=O)[C@H]1C[C@@H](CCN1)O MCULE-3855809627 [0,1,0,1,0,0|2,0,0]=4 2793 B11R1.23 COC(=O)[C@H]1C[C@@H](CCN1)O MCULE-9652933218 [0,1,0,1,0,0|2,0,0]=4 2794 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-5894001253 [0,1,0,1,0,0|2,0,0]=4 2795 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-7416859347 [0,1,0,1,0,0|2,0,0]=4 2796 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-7542782600 [0,1,0,1,0,0|2,0,0]=4 2797 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-7582287818 [0,1,0,1,0,0|2,0,0]=4 2798 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-8181619832 [0,1,0,1,0,0|2,0,0]=4 2799 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-9706236638 [0,1,0,1,0,0|2,0,0]=4 2800 B11R1.23 [C@H]1(CCN[C@H](C1)C(=O)OC)O MCULE-1156229977 [0,1,0,1,0,0|2,0,0]=4 2801 B11R1.23 [C@H]1(CCN[C@H](C1)C(=O)OC)O MCULE-8722743074 [0,1,0,1,0,0|2,0,0]=4 2802 B11R1.31 COC(=O)C(C)C1CCCC1 MCULE-4841672900 [0,1,0,1,0,0|2,0,0]=4 2803 B11R1.31 COC(=O)C(C)C1CCCN1 MCULE-1524613145 [0,1,0,1,0,0|2,0,0]=4 2804 B11R1.31 COC(=O)C(N)C1CCCC1 MCULE-4213535965 [0,1,0,1,0,0|1,0,0]=3 2805 B11R1.31 COC(=O)C(N)C1CCCC1 MCULE-6167515870 [0,1,0,1,0,0|1,0,0]=3 2806 B11R1.31 COC(=O)C(N)C1CCCC1 MCULE-6719639183 [0,1,0,1,0,0|1,0,0]=3 2807 B11R1.31 COC(=O)C(N)C1CCCC1 MCULE-7926864071 [0,1,0,1,0,0|1,0,0]=3 2808 B11R1.31 COC(=O)C(N)C1CCOC1 MCULE-1634235544 [0,1,0,1,0,0|2,0,0]=4 2809 B11R1.31 COC(=O)C(N)C1CCOC1 MCULE-3769216024 [0,1,0,1,0,0|2,0,0]=4 2810 B11R1.31 COC(=O)C(O)C1CCCC1 MCULE-6965741792 [0,1,0,1,0,0|2,0,0]=4 2811 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 MCULE-2292985211 [0,1,0,1,0,0|1,0,0]=3 2812 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 MCULE-3432908332 [0,1,0,1,0,0|1,0,0]=3 2813 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 MCULE-8427321685 [0,1,0,1,0,0|1,0,0]=3 2814 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 MCULE-9146063080 [0,1,0,1,0,0|1,0,0]=3 2815 B11R1.31 COC(=O)[C@H](N)C1CCCC1 MCULE-1467270284 [0,1,0,1,0,0|1,0,0]=3 2816 B11R1.31 COC(=O)[C@H](N)C1CCCC1 MCULE-2474754377 [0,1,0,1,0,0|1,0,0]=3 2817 B11R1.31 COC(=O)[C@H](N)C1CCCC1 MCULE-5418704124 [0,1,0,1,0,0|1,0,0]=3 2818 B11R1.31 COC(=O)[C@H](N)C1CCCC1 MCULE-8183193765 [0,1,0,1,0,0|1,0,0]=3 2819 B11R1.44 C=C[C@@H]1CC[C@H](N1)C(=O)OC MCULE-2836646200 [0,1,0,1,0,0|1,0,1]=4 2820 B11R1.44 C=C[C@@H]1CC[C@H](N1)C(=O)OC MCULE-7974121882 [0,1,0,1,0,0|1,0,1]=4 2821 B11R1.44 C=C[C@@H]1CC[C@H](N1)C(=O)OC MCULE-8123742816 [0,1,0,1,0,0|1,0,1]=4 2822 B11R1.44 C=C[C@H]1CC[C@H](N1)C(=O)OC MCULE-6756537247 [0,1,0,1,0,0|1,0,1]=4 2823 B11R1.44 C=C[C@H]1CC[C@H](N1)C(=O)OC MCULE-9486071582 [0,1,0,1,0,0|1,0,1]=4 2824 B11R1.44 CCC1NC(CS1)C(=O)OC MCULE-1701505709 [0,1,0,1,0,0|2,0,0]=4 2825 B11R1.44 CCC1NC(CS1)C(=O)OC MCULE-4067585600 [0,1,0,1,0,0|2,0,0]=4 2826 B11R1.44 COC(=O)C1CCC(C1)CBr MCULE-4959141432 [0,1,0,1,0,0|2,0,0]=4 2827 B11R1.44 COC(=O)C1CCC(C1)CN MCULE-2495305998 [0,1,0,1,0,0|2,0,0]=4 2828 B11R1.44 COC(=O)C1CCC(C1)CN MCULE-5766901556 [0,1,0,1,0,0|2,0,0]=4 2829 B11R1.44 COC(=O)C1CCC(C1)CO MCULE-8674331081 [0,1,0,1,0,0|1,0,0]=3 2830 B11R1.44 COC(=O)C1CCC(N1)CO MCULE-1203357587 [0,1,0,1,0,0|0,0,0]=2 2831 B11R1.44 COC(=O)C1CCC(N1)CO MCULE-1340753915 [0,1,0,1,0,0|0,0,0]=2 2832 B11R1.44 COC(=O)C1CCC(O1)CN MCULE-5591033668 [0,1,0,1,0,0|2,0,0]=4 2833 B11R1.44 COC(=O)C1CCC(O1)CN MCULE-7617283509 [0,1,0,1,0,0|2,0,0]=4 2834 B11R1.44 COC(=O)N1CCC(C1)CO MCULE-3856580907 [0,1,0,1,0,0|2,0,0]=4 2835 B11R1.44 COC(=O)[C@@H]1CC[C@@H](C1)CO MCULE-6652319072 [0,1,0,1,0,0|1,0,0]=3 2836 B11R1.44 COC(=O)[C@@H]1CC[C@@H](C1)CO MCULE-7077024997 [0,1,0,1,0,0|1,0,0]=3 2837 B11R1.44 COC(=O)[C@@H]1CC[C@@H](O1)CN MCULE-2133616198 [0,1,0,1,0,0|2,0,0]=4 2838 B11R1.44 COC(=O)[C@@H]1CC[C@@H](O1)CN MCULE-8998799282 [0,1,0,1,0,0|2,0,0]=4 2839 B11R1.293 COC(=O)C(N)CC1CCC1 MCULE-7478674001 [0,1,0,1,0,0|1,0,0]=3 2840 B11R1.293 COC(=O)C(N)CC1CCC1 MCULE-8730301026 [0,1,0,1,0,0|1,0,0]=3 2841 B11R1.293 COC(=O)[C@H](O)CC1CCC1 MCULE-4317162673 [0,1,0,1,0,0|2,0,0]=4 2842 B11R1.852 CNC(=O)C1CCCCCN1 MCULE-7805616586 [0,1,0,1,0,0|2,0,0]=4 2843 B11R1.852 COC(=O)C1CCCCCC1 MCULE-8003000735 [0,1,0,1,0,0|2,0,0]=4 2844 B11R1.852 COC(=O)C1CCCCCN1 MCULE-8548406183 [0,1,0,1,0,0|1,0,0]=3 2845 B11R1.852 COC(=O)C1CCCCCN1 MCULE-9755218906 [0,1,0,1,0,0|1,0,0]=3 2846 B11R1.852 COC(=O)C1CCCCNC1 MCULE-5033307999 [0,1,0,1,0,0|2,0,0]=4 2847 B11R1.852 COC(=O)C1CCCCNC1 MCULE-5999850816 [0,1,0,1,0,0|2,0,0]=4 2848 B11R1.852 COC(=O)C1CNCCCN1 MCULE-4382038267 [0,1,0,1,0,0|2,0,0]=4 2849 B11R1.852 COC(=O)C1CNCCOC1 MCULE-3087165562 [0,1,0,1,0,0|2,0,0]=4 2850 B11R1.852 COC(=O)C1CNCCOC1 MCULE-3586722287 [0,1,0,1,0,0|2,0,0]=4 2851 B11R1.852 COC(=O)[C@@H]1CCCCCN1 MCULE-2832726026 [0,1,0,1,0,0|1,0,0]=3 2852 B11R1.852 COC(=O)[C@@H]1CCCCCN1 MCULE-6917033588 [0,1,0,1,0,0|1,0,0]=3 2853 B11R1.852 COC(=O)[C@H]1CCCCCN1 MCULE-1594353042 [0,1,0,1,0,0|1,0,0]=3 2854 B11R1.852 COC(=O)[C@H]1CCCCCN1 MCULE-7957773860 [0,1,0,1,0,0|1,0,0]=3 2855 B11R1.878 CC1(CCCCO1)C(=O)NN MCULE-1107519638 [0,1,0,1,0,0|2,0,0]=4 2856 B11R1.878 CNC(=O)C1(CCCCC1)N MCULE-1205176044 [0,1,0,1,0,0|2,0,0]=4 2857 B11R1.878 CNC(=O)C1(CCCCC1)N MCULE-5586151094 [0,1,0,1,0,0|2,0,0]=4 2858 B11R1.878 COC(=O)C1(CCCCC1)Br MCULE-1324398852 [0,1,0,1,0,0|2,0,0]=4 2859 B11R1.878 COC(=O)C1(CCCCC1)C MCULE-1116173481 [0,1,0,1,0,0|2,0,0]=4 2860 B11R1.878 COC(=O)C1(CCCCC1)N MCULE-2077713130 [0,1,0,1,0,0|1,0,0]=3 2861 B11R1.878 COC(=O)C1(CCCCC1)N MCULE-5529190912 [0,1,0,1,0,0|1,0,0]=3 2862 B11R1.878 COC(=O)C1(CCCCC1)O MCULE-7312981015 [0,1,0,1,0,0|2,0,0]=4 2863 B11R1.878 COC(=O)C1(CCCCN1)C MCULE-1190264508 [0,1,0,1,0,0|2,0,0]=4 2864 B11R1.878 COC(=O)C1(CCCCN1)C MCULE-3258376100 [0,1,0,1,0,0|2,0,0]=4 2865 B11R1.878 COC(=O)C1(CCCCO1)C MCULE-4831752163 [0,1,0,1,0,0|1,0,0]=3 2866 B11R1.878 COC(=O)C1(CCNCC1)N MCULE-7457516879 [0,1,0,1,0,0|2,0,0]=4 2867 B11R1.878 COC(=O)C1(CCNCC1)N MCULE-8838613115 [0,1,0,1,0,0|2,0,0]=4 2868 B11R1.878 COC(=O)C1(CCOCC1)N MCULE-2933369256 [0,1,0,1,0,0|2,0,0]=4 2869 B11R1.878 COC(=O)C1(CCOCC1)N MCULE-5766956671 [0,1,0,1,0,0|2,0,0]=4 2870 B11R1.878 COC(=O)C1(CCOCC1)N MCULE-6987517348 [0,1,0,1,0,0|2,0,0]=4 2871 B11R1.878 COC(=O)C1(CCSCC1)N MCULE-3245318067 [0,1,0,1,0,0|2,0,0]=4 2872 B11R1.878 COC(=O)C1(CCSCC1)N MCULE-5736843966 [0,1,0,1,0,0|2,0,0]=4 2873 B11R1.878 COC(=O)C1(CNCCO1)C MCULE-2710510669 [0,1,0,1,0,0|2,0,0]=4 2874 B11R1.878 COC(=O)C1(CNCCO1)C MCULE-6281859428 [0,1,0,1,0,0|2,0,0]=4 2875 B11R1.878 COC(=O)[C@@]1(CCCCN1)C MCULE-9054004047 [0,1,0,1,0,0|2,0,0]=4 2876 B11R1.878 O=C(CO)C1(CCCCC1)O MCULE-4883134314 [0,1,0,1,0,0|2,0,0]=4 2877 B11R1.159 CN1C(=O)CCCC1C(=O)O MCULE-2434427513 [0,1,0,1,0,0|0,0,2]=4 2878 B11R1.159 O=C(O)C1CCCC(C1=O)Br MCULE-3186177717 [0,1,0,1,0,0|2,0,0]=4 2879 B11R1.298 CNC(C(=O)O)C1CCCC1 MCULE-4311551882 [0,1,0,1,0,0|1,0,0]=3 2880 B11R1.298 CNC(C(=O)O)C1CCCC1 MCULE-9246811149 [0,1,0,1,0,0|1,0,0]=3 2881 B11R1.298 CN[C@H](C(=O)O)C1CCCC1 MCULE-5322905424 [0,1,0,1,0,0|1,0,0]=3 2882 B11R1.298 COC(C(=O)O)C1CCCC1 MCULE-3859410444 [0,1,0,1,0,0|2,0,0]=4 2883 B11R1.298 NCC(C(=O)O)C1CCCC1 MCULE-1744116697 [0,1,0,1,0,0|1,0,0]=3 2884 B11R1.298 NCC(C(=O)O)C1CCCC1 MCULE-9731662154 [0,1,0,1,0,0|1,0,0]=3 2885 B11R1.298 NCC(C(=O)O)N1CCCC1 MCULE-6610512684 [0,1,0,1,0,0|2,0,0]=4 2886 B11R1.1016 CCC(CC1CCC1)C(=O)O MCULE-3425899429 [0,1,0,1,0,0|2,0,0]=4 2887 B11R1.1074 CCC1(CCCCC1)C(=O)O MCULE-1239882099 [0,1,0,1,0,0|2,0,0]=4 2888 B11R1.1074 CCC1(CCCCN1)C(=O)O MCULE-3363810836 [0,1,0,1,0,0|2,0,0]=4 2889 B11R1.1074 CCC1(CCCCN1)C(=O)O MCULE-3511835420 [0,1,0,1,0,0|2,0,0]=4 2890 B11R1.1074 CNC1(CCCCC1)C(=O)O MCULE-7399184595 [0,1,0,1,0,0|1,0,0]=3 2891 B11R1.1074 CNC1(CCOCC1)C(=O)O MCULE-3359408926 [0,1,0,1,0,0|2,0,0]=4 2892 B11R1.1074 CNC1(CCOCC1)C(=O)O MCULE-4436067730 [0,1,0,1,0,0|2,0,0]=4 2893 B11R1.1074 CNC1(CCSCC1)C(=O)O MCULE-5303303431 [0,1,0,1,0,0|2,0,0]=4 2894 B11R1.1074 COC1(CCCCC1)C(=O)O MCULE-1591494554 [0,1,0,1,0,0|2,0,0]=4 2895 B11R1.1074 N#CC1(CCCCC1)C(=O)O MCULE-2346110250 [0,1,0,1,0,0|1,0,1]=4 2896 B11R1.1074 NCC1(CCCCC1)C(=O)O MCULE-6540997661 [0,1,0,1,0,0|1,0,0]=3 2897 B11R1.1074 NCC1(CCCCC1)C(=O)O MCULE-8691521129 [0,1,0,1,0,0|1,0,0]=3 2898 B11R1.1074 NCC1(CCCOC1)C(=O)O MCULE-1802610214 [0,1,0,1,0,0|2,0,0]=4 2899 B11R1.1074 NCC1(CCCOC1)C(=O)O MCULE-5207801423 [0,1,0,1,0,0|2,0,0]=4 2900 B11R1.1074 NCC1(CCOCC1)C(=O)O MCULE-3943984495 [0,1,0,1,0,0|2,0,0]=4 2901 B11R1.1074 NCC1(CCOCC1)C(=O)O MCULE-4788693444 [0,1,0,1,0,0|2,0,0]=4 2902 B11R1.1074 O=C(O)C1(CCCCC1)CO MCULE-2836039300 [0,1,0,1,0,0|2,0,0]=4 2903 B11R1.175 CC(C)C1NC(CS1)C(=O)O MCULE-7579342031 [0,1,0,1,0,0|2,0,0]=4 2904 B11R1.175 CC(C)C1NC(CS1)C(=O)O MCULE-7799535472 [0,1,0,1,0,0|2,0,0]=4 2905 B11R1.175 O=C(O)C1CCC(C1)C(=O)O MCULE-5582697343 [0,1,0,1,0,0|1,0,1]=4 2906 B11R1.175 O=C(O)C1CCC(O1)C(=O)O MCULE-3136124682 [0,1,0,1,0,0|1,0,1]=4 2907 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,1,0,1,0,0|1,0,1]=4 2908 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,1,0,1,0,0|0,0,1]=3 2909 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-5651042358 [0,1,0,1,0,0|1,0,1]=4 2910 B11R1.175 O=C(O)[C@@H]1CC[C@H](C1)C(=O)O MCULE-4158551450 [0,1,0,1,0,0|1,0,1]=4 2911 B11R1.175 O=C(O)[C@H]1CC[C@@H](C1)C(=O)O MCULE-1705160233 [0,1,0,1,0,0|1,0,1]=4 2912 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O MCULE-9410279128 [0,1,0,1,0,0|1,0,1]=4 2913 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,1,0,1,0,0|0,0,1]=3 2914 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,1,0,1,0,0|0,0,1]=3 2915 B11R1.704 [C@@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-9452045165 [0,1,0,1,0,0|0,0,1]=3 2916 B11R1.704 [C@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-8026317060 [0,1,0,1,0,0|0,0,1]=3 2917 B11R1.730 CC1(CCCC(C1)C(=O)O)C MCULE-1597122526 [0,1,0,1,0,0|2,0,0]=4 2918 B11R1.730 CC1(CCCC(O1)C(=O)O)C MCULE-6134883479 [0,1,0,1,0,0|2,0,0]=4 2919 B11R1.730 CC1(COCC(N1)C(=O)O)C MCULE-9878578908 [0,1,0,1,0,0|2,0,0]=4 2920 B11R1.730 O=C(O)C1CCCC(C1)(F)F MCULE-2685730195 [0,1,0,1,0,0|2,0,0]=4 2921 B11R1.743 CC(C)C[C@H]1C[C@H](C1)C(=O)O MCULE-8065891945 [0,1,0,1,0,0|2,0,0]=4 2922 B11R1.1386 CC1(CCCC1(F)F)C(=O)O MCULE-7245083168 [0,1,0,1,0,0|2,0,0]=4 2923 B11R1.1386 CC1(CCCC1(N)C(=O)O)C MCULE-4148753420 [0,1,0,1,0,0|1,0,0]=3 2924 B11R2.141 O=C(O)C1CC12CCCC2 MCULE-6285352175 [0,0,0,2,0,0|2,0,0]=4 2925 B11R2.814 O=C(O)C1CC2C1CCC2 MCULE-6814629609 [0,0,0,2,0,0|2,0,0]=4 2926 B11R2.845 CC(=O)C1CC2CCC1O2 MCULE-7697954858 [0,0,0,2,0,0|2,0,0]=4 2927 B11R2.845 NC(=O)C1NC2CCC1C2 MCULE-7224845065 [0,0,0,2,0,0|2,0,0]=4 2928 B11R2.845 O=C(O)C1CC2CCC1C2 MCULE-2105378214 [0,0,0,2,0,0|2,0,0]=4 2929 B11R2.845 O=C(O)C1CC2CCC1C2 MCULE-5033425758 [0,0,0,2,0,0|2,0,0]=4 2930 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-3189710002 [0,0,0,2,0,0|2,0,0]=4 2931 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-8256813957 [0,0,0,2,0,0|2,0,0]=4 2932 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-8443317854 [0,0,0,2,0,0|2,0,0]=4 2933 B11R2.845 O=C(O)C1CC2CCC1O2 MCULE-9965391385 [0,0,0,2,0,0|1,0,0]=3 2934 B11R2.845 O=C(O)C1CC2CNC1C2 MCULE-4741023802 [0,0,0,2,0,0|2,0,0]=4 2935 B11R2.845 O=C(O)C1CC2CNC1C2 MCULE-8094602403 [0,0,0,2,0,0|2,0,0]=4 2936 B11R2.845 O=C(O)C1NC2C=CC1C2 MCULE-7774584904 [0,0,0,2,0,0|1,0,1]=4 2937 B11R2.845 O=C(O)C1NC2CCC1C2 MCULE-2419483992 [0,0,0,2,0,0|1,0,0]=3 2938 B11R2.845 O=C(O)C1NC2CCC1C2 MCULE-4216750988 [0,0,0,2,0,0|1,0,0]=3 2939 B11R2.845 O=C(O)C1NC2CCC1C2 MCULE-7576433397 [0,0,0,2,0,0|1,0,0]=3 2940 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 MCULE-6313349669 [0,0,0,2,0,0|1,0,0]=3 2941 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 MCULE-3955948018 [0,0,0,2,0,0|1,0,0]=3 2942 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 MCULE-8797585481 [0,0,0,2,0,0|1,0,0]=3 2943 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@H]1O2 MCULE-4412449728 [0,0,0,2,0,0|1,0,0]=3 2944 B11R2.845 O=C(O)[C@@H]1NC2C=CC1C2 MCULE-9481484347 [0,0,0,2,0,0|1,0,1]=4 2945 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 MCULE-1749677274 [0,0,0,2,0,0|1,0,0]=3 2946 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 MCULE-6361507980 [0,0,0,2,0,0|1,0,0]=3 2947 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@H]1C2 MCULE-8988709359 [0,0,0,2,0,0|1,0,0]=3 2948 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1O2 MCULE-5321903258 [0,0,0,2,0,0|1,0,0]=3 2949 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 MCULE-4397167204 [0,0,0,2,0,0|2,0,0]=4 2950 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 MCULE-6144728165 [0,0,0,2,0,0|2,0,0]=4 2951 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 MCULE-7927159067 [0,0,0,2,0,0|2,0,0]=4 2952 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@H]1O2 MCULE-4984104670 [0,0,0,2,0,0|1,0,0]=3 2953 B11R2.845 O=C(O)[C@H]1NC2C=CC1C2 MCULE-6527585752 [0,0,0,2,0,0|1,0,1]=4 2954 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 MCULE-5294641154 [0,0,0,2,0,0|1,0,0]=3 2955 B11R2.845 [C@@H]12CC[C@@H](C1)C(C2)C(=O)O MCULE-7685177551 [0,0,0,2,0,0|2,0,0]=4 2956 B11R2.845 [C@@H]12CC[C@@H](C1)C(C2)C(=O)O MCULE-9283430685 [0,0,0,2,0,0|2,0,0]=4 2957 B11R2.845 [C@@H]12CC[C@@H](N1)C[C@@H]2C(=O)O MCULE-1580122090 [0,0,0,2,0,0|2,0,0]=4 2958 B11R2.845 [C@@H]12CC[C@@H](N1)C[C@@H]2C(=O)O MCULE-2737672800 [0,0,0,2,0,0|2,0,0]=4 2959 B11R2.845 [C@@H]12CC[C@@H](O1)[C@@H](C2)C(=O)O MCULE-7503285059 [0,0,0,2,0,0|1,0,0]=3 2960 B11R2.845 [C@@H]12CC[C@@H](O1)[C@H](C2)C(=O)O MCULE-4865345596 [0,0,0,2,0,0|1,0,0]=3 2961 B11R2.845 [C@@H]12CC[C@H](C1)[C@H](N2)C(=O)O MCULE-2373068137 [0,0,0,2,0,0|1,0,0]=3 2962 B11R2.845 [C@H]12CC[C@H](C1)C(N2)C(=O)N MCULE-5892501301 [0,0,0,2,0,0|2,0,0]=4 2963 B11R2.845 [C@H]12CC[C@H](C1)N[C@@H]2C(=O)O MCULE-2807014544 [0,0,0,2,0,0|1,0,0]=3 2964 B11R2.845 [C@H]12CC[C@H](C1)N[C@@H]2C(=O)O MCULE-8789224031 [0,0,0,2,0,0|1,0,0]=3 2965 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](C2)C(=O)O MCULE-5848404845 [0,0,0,2,0,0|2,0,0]=4 2966 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-6558374948 [0,0,0,2,0,0|1,0,0]=3 2967 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-6979068312 [0,0,0,2,0,0|1,0,0]=3 2968 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-7785103775 [0,0,0,2,0,0|1,0,0]=3 2969 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-9975397997 [0,0,0,2,0,0|1,0,0]=3 2970 B11R2.162 O=C1CC2CC1CC2CO MCULE-5306151281 [0,0,0,2,0,0|2,0,0]=4 2971 B11R2.201 O=C1OC(=O)C2CCC1N2 MCULE-1779580563 [0,0,0,2,0,0|0,0,2]=4 2972 B11R2.564 NC1C2C1CC(C2)C(=O)O MCULE-3977960580 [0,0,0,2,0,0|2,0,0]=4 2973 B11R2.564 NC1C2C1CC(C2)C(=O)O MCULE-6176990589 [0,0,0,2,0,0|2,0,0]=4 2974 B11R2.564 NC1C2C1CC(C2)C(=O)O MCULE-9184232184 [0,0,0,2,0,0|2,0,0]=4 2975 B11R2.822 O=C(O)C1NCC2C1CC2 MCULE-1771587431 [0,0,0,2,0,0|1,0,0]=3 2976 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CC2 MCULE-2762293004 [0,0,0,2,0,0|1,0,0]=3 2977 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CC2 MCULE-7115056217 [0,0,0,2,0,0|1,0,0]=3 2978 B11R2.822 [C@H]12CC[C@H]1CN[C@@H]2C(=O)O MCULE-5715089354 [0,0,0,2,0,0|1,0,0]=3 2979 B11R2.822 [C@H]12CC[C@H]1CN[C@@H]2C(=O)O MCULE-5720996089 [0,0,0,2,0,0|1,0,0]=3 2980 B11R2.822 [C@H]12CC[C@H]1CN[C@H]2C(=O)O MCULE-6325799801 [0,0,0,2,0,0|1,0,0]=3 2981 B11R2.822 [C@H]12CC[C@H]1CN[C@H]2C(=O)O MCULE-9154008612 [0,0,0,2,0,0|1,0,0]=3 2982 B11R2.842 O=C(O)C1CC2CCC2C1 MCULE-9918842821 [0,0,0,2,0,0|2,0,0]=4 2983 B11R2.1839 NC(=O)C12CCC(N1)CC2 MCULE-9139917072 [0,0,0,2,0,0|2,0,0]=4 2984 B11R2.1839 O=C(O)C12CCC(C1)CC2 MCULE-6630732907 [0,0,0,2,0,0|2,0,0]=4 2985 B11R2.1839 O=C(O)C12CCC(C1)CN2 MCULE-5678506531 [0,0,0,2,0,0|2,0,0]=4 2986 B11R2.1839 O=C(O)C12CCC(C1)CN2 MCULE-7284735604 [0,0,0,2,0,0|2,0,0]=4 2987 B11R2.1839 O=C(O)C12CCC(N1)CC2 MCULE-3118230770 [0,0,0,2,0,0|1,0,0]=3 2988 B11R2.1839 O=C(O)C12CCC(N1)CC2 MCULE-9332995177 [0,0,0,2,0,0|1,0,0]=3 2989 B11R2.1839 O=C(O)C12CCC(O1)CC2 MCULE-3125021989 [0,0,0,2,0,0|2,0,0]=4 2990 B11R2.1868 O=C(O)C1CCC2(C1)CC2 MCULE-1181145196 [0,0,0,2,0,0|2,0,0]=4 2991 B11R2.848 O=C(O)C1CC(C1)C2CC2 MCULE-9389568617 [0,0,0,2,0,0|2,0,0]=4 2992 B11R2.1826 O=C(O)C12CC(C1)CCN2 MCULE-2027717821 [0,0,0,2,0,0|2,0,0]=4 2993 B11R2.1826 O=C(O)C12CC(C1)CCN2 MCULE-3937212667 [0,0,0,2,0,0|2,0,0]=4 2994 B11R2.1826 O=C(O)C12CCCC(C1)C2 MCULE-1931429837 [0,0,0,2,0,0|2,0,0]=4 2995 B11R2.1867 O=C(O)C1CC2(C1)CCC2 MCULE-4385009096 [0,0,0,2,0,0|2,0,0]=4 2996 B11R2.411 N[C@@H]1C[C@H]2C[C@]2(C1)C(=O)O MCULE-2111082325 [0,0,0,2,0,0|2,0,0]=4 2997 B11R2.411 N[C@@H]1C[C@H]2C[C@]2(C1)C(=O)O MCULE-4355305095 [0,0,0,2,0,0|2,0,0]=4 2998 B11R2.839 O=C(O)C1CCC2CC2C1 MCULE-9539219207 [0,0,0,2,0,0|2,0,0]=4 2999 B11R2.1837 O=C(O)C1CCCC2C1C2 MCULE-3545310305 [0,0,0,2,0,0|2,0,0]=4 3000 B11R2.1837 O=C(O)C1NCCC2C1C2 MCULE-7549040679 [0,0,0,2,0,0|1,0,0]=3 3001 B11R2.1837 O=C(O)C1NCCC2C1C2 MCULE-8003320761 [0,0,0,2,0,0|1,0,0]=3 3002 B11R2.1837 O=C(O)[C@@H]1NCC[C@H]2[C@@H]1C2 MCULE-5605484677 [0,0,0,2,0,0|1,0,0]=3 3003 B11R2.1837 O=C(O)[C@@H]1NCC[C@H]2[C@@H]1C2 MCULE-8372319730 [0,0,0,2,0,0|1,0,0]=3 3004 B11R2.1837 O=C(O)[C@H]1NCC[C@@H]2[C@H]1C2 MCULE-3959784629 [0,0,0,2,0,0|1,0,0]=3 3005 B11R2.1837 O=C(O)[C@H]1NCC[C@@H]2[C@H]1C2 MCULE-9660720209 [0,0,0,2,0,0|1,0,0]=3 3006 B11R2.1837 O=C(O)[C@H]1NCC[C@H]2[C@@H]1C2 MCULE-2415102953 [0,0,0,2,0,0|1,0,0]=3 3007 B11R2.1837 O=C(O)[C@H]1NCC[C@H]2[C@@H]1C2 MCULE-3447611520 [0,0,0,2,0,0|1,0,0]=3 3008 B11R2.1837 [C@@H]12CCNC([C@@H]1C2)C(=O)O MCULE-1481596159 [0,0,0,2,0,0|1,0,0]=3 3009 B11R2.1837 [C@@H]12CCNC([C@@H]1C2)C(=O)O MCULE-3526088768 [0,0,0,2,0,0|1,0,0]=3 3010 B11R2.1837 [C@H]12CCNC([C@@H]1C2)C(=O)O MCULE-1555944016 [0,0,0,2,0,0|1,0,0]=3 3011 B11R2.1837 [C@H]12CCNC([C@@H]1C2)C(=O)O MCULE-5915776174 [0,0,0,2,0,0|1,0,0]=3 3012 B11R2.1837 [C@H]12CCN[C@H]([C@H]1C2)C(=O)O MCULE-8519514554 [0,0,0,2,0,0|1,0,0]=3 3013 B11R2.1837 [C@H]12CCN[C@H]([C@H]1C2)C(=O)O MCULE-8683744573 [0,0,0,2,0,0|1,0,0]=3 3014 B11R2.457 CC1CC1C2CC2C(=O)O MCULE-7712338823 [0,0,0,2,0,0|2,0,0]=4 3015 B11R2.813 O=C(O)C12CC1CCCN2 MCULE-4247938910 [0,0,0,2,0,0|1,0,0]=3 3016 B11R2.813 O=C(O)C12CC1CCCN2 MCULE-4913986428 [0,0,0,2,0,0|1,0,0]=3 3017 B11R2.813 O=C(O)C12CCCCC1C2 MCULE-8164847486 [0,0,0,2,0,0|2,0,0]=4 3018 B11R2.813 O=C(O)C12CNCCC1C2 MCULE-3253248385 [0,0,0,2,0,0|2,0,0]=4 3019 B11R2.813 O=C(O)C12CNCCC1C2 MCULE-4328236690 [0,0,0,2,0,0|2,0,0]=4 3020 B11R2.1024 O=C1N[C@@H](C[C@@H]2[C@H]1C2)CO MCULE-1767119996 [0,0,0,2,0,0|2,0,0]=4 3021 B11R2.1024 O=C1N[C@@H](C[C@@H]2[C@H]1C2)CO MCULE-8969389314 [0,0,0,2,0,0|2,0,0]=4 3022 B11R2.1836 O=C(O)[C@@H]1C[C@H]1C2CCC2 MCULE-4653275903 [0,0,0,2,0,0|2,0,0]=4 3023 B11R2.1852 O=C(O)C1C2C1CCCC2 MCULE-2502533102 [0,0,0,2,0,0|2,0,0]=4 3024 B11R2.1852 O=C(O)C1C2C1OCCO2 MCULE-7832629497 [0,0,0,2,0,0|2,0,0]=4 3025 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1CCCC2 MCULE-2721847322 [0,0,0,2,0,0|2,0,0]=4 3026 B11R2.48 O=C1OC2CCCC1CC2 MCULE-9400840522 [0,0,0,2,0,0|2,0,0]=4 3027 B11R2.679 CC12CCC(CC1)OC2=O MCULE-5263749123 [0,0,0,2,0,0|2,0,0]=4 3028 B11R2.1850 CC1(CC2CC2C1)C(=O)O MCULE-5006077474 [0,0,0,2,0,0|2,0,0]=4 3029 B11R2.819 O=C(O)C12CCC1CNC2 MCULE-5440576235 [0,0,0,2,0,0|2,0,0]=4 3030 B11R2.819 O=C(O)C12CCC1CNC2 MCULE-7903679300 [0,0,0,2,0,0|2,0,0]=4 3031 B11R0.46 CCCCCC(C)CCC(=O)O MCULE-3703948906 [0,0,0,0,0,2|2,0,0]=4 3032 B11R0.46 CCCCCC(O)/C=C/C(=O)O MCULE-9091234698 [0,0,0,0,0,2|2,0,0]=4 3033 B11R0.46 CCCCCC(O)C=CC(=O)O MCULE-5393476184 [0,0,0,0,0,2|2,0,0]=4