0 B10R0.91 C#CCNC(=O)CCCCC MCULE-3006294888 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.91 C#CCOC(=O)NCCCC MCULE-4022249643 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.91 C=CCCC(C)CCCCC MCULE-1706757342 [0,0,0,0,0,0|2,0,1]=3 3 B10R0.91 C=CCNC(=O)NCCCC MCULE-1893923308 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.91 C=CCOC(=O)CCCCC MCULE-4870253803 [0,0,0,0,0,0|0,0,0]=0 5 B10R0.91 C=CCOC(=O)NCCCN MCULE-5470077010 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.91 C=CCOC(=O)NCCCN MCULE-6309694810 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.91 C=CCOC(=O)NCCCO MCULE-9189671280 [0,0,0,0,0,0|2,0,0]=2 8 B10R0.91 C=CCOC(=O)NCCNC MCULE-7204437968 [0,0,0,0,0,0|2,0,0]=2 9 B10R0.91 CCCCCC(=O)C=CC=O MCULE-7288937112 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.91 CCCCCC(=O)CCCC MCULE-4876992287 [0,0,0,0,0,0|1,0,2]=3 11 B10R0.91 CCCCCC(=O)OCCC MCULE-7665514505 [0,0,0,0,0,0|0,0,2]=2 12 B10R0.91 CCCCCC(=O)OCCCl MCULE-2724708346 [0,0,0,0,0,0|1,0,1]=2 13 B10R0.91 CCCCCC(C)CCC=O MCULE-9659356194 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.91 CCCCNC(=O)OCCO MCULE-9010578275 [0,0,0,0,0,0|2,0,1]=3 15 B10R0.91 CCCCOC(=O)CCCC MCULE-2693469456 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.91 CCCCOC(=O)CCCN MCULE-3820011759 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.91 CCCCOC(=O)CCCN MCULE-8110705234 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.91 CCCCOC(=O)CCCO MCULE-6438752500 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.91 CCCNCC(=O)NCCC MCULE-2310458557 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.5 C#CCCCC(=O)OCC MCULE-7331649216 [1,0,0,0,0,0|0,0,3]=4 21 B9R0.5 C/C=C/C(=O)OCCCC MCULE-3981123215 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.5 C=CCC(C)CCCCC MCULE-2730037142 [1,0,0,0,0,0|1,0,1]=3 23 B9R0.5 C=CCC(O)CCCCC MCULE-6811117459 [1,0,0,0,0,0|0,0,2]=3 24 B9R0.5 C=CCCCC(=O)OCC MCULE-6747714335 [1,0,0,0,0,0|0,0,3]=4 25 B9R0.5 C=CCN(C)CCNCC MCULE-7073350830 [1,0,0,0,0,0|3,0,0]=4 26 B9R0.5 C=CCN(C)CCNCC MCULE-8308418109 [1,0,0,0,0,0|3,0,0]=4 27 B9R0.5 C=COC(=O)CCCCC MCULE-9610448604 [1,0,0,0,0,0|0,0,0]=1 28 B9R0.5 CC/C=C/CC(=O)OCC MCULE-7234058677 [1,0,0,0,0,0|0,0,3]=4 29 B9R0.5 CC=CC(=O)OCCCC MCULE-5053011213 [1,0,0,0,0,0|1,0,2]=4 30 B9R0.5 CCC/C=C/C(=O)OCC MCULE-4832092410 [1,0,0,0,0,0|0,0,3]=4 31 B9R0.5 CCC=CCC(=O)OCC MCULE-2895347288 [1,0,0,0,0,0|0,0,3]=4 32 B9R0.5 CCCC#CC(=O)OCC MCULE-5376486364 [1,0,0,0,0,0|0,0,3]=4 33 B9R0.5 CCCC=CC(=O)OCC MCULE-6059990808 [1,0,0,0,0,0|0,0,3]=4 34 B9R0.5 CCCCCC(=O)CCC MCULE-5706146235 [1,0,0,0,0,0|0,0,2]=3 35 B9R0.5 CCCCCC(=O)OCC MCULE-5403677128 [1,0,0,0,0,0|0,0,1]=2 36 B9R0.5 CCCCCC(C)CC=O MCULE-4528527314 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.5 CCCCNC(=O)CC#N MCULE-1413338131 [1,0,0,0,0,0|2,0,1]=4 38 B9R0.5 CCCCNC(=O)CCBr MCULE-1774001181 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.5 CCCCNC(=O)CCC MCULE-7141834161 [1,0,0,0,0,0|1,0,2]=4 40 B9R0.5 CCCCNC(=O)CCN MCULE-2531611147 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.5 CCCCNC(=O)CCN MCULE-7050182017 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.5 CCCCNC(=O)CNC MCULE-1485408728 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.5 CCCCNC(=O)CNC MCULE-6940946322 [1,0,0,0,0,0|2,0,1]=4 44 B9R0.5 CCCCNC(=O)NCC MCULE-3629972521 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.5 CCCCNC(=O)OCC MCULE-8548277091 [1,0,0,0,0,0|1,0,1]=3 46 B9R0.5 CCCCOC(=O)CC#N MCULE-1510363972 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.5 CCCCOC(=O)CCC MCULE-3979612740 [1,0,0,0,0,0|1,0,2]=4 48 B9R0.5 CCCCOC(=O)CCS MCULE-4889334808 [1,0,0,0,0,0|2,0,1]=4 49 B9R0.5 CCCCOC(=O)CON MCULE-1664882724 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.5 CCCNCC(=O)OCC MCULE-1614665340 [1,0,0,0,0,0|1,0,1]=3 51 B9R0.5 CCNC(=O)CCCCO MCULE-9325293372 [1,0,0,0,0,0|2,0,1]=4 52 B9R0.5 CCNCCC(=O)NCC MCULE-6441681901 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.5 CCNCCC(=O)OCC MCULE-5511872214 [1,0,0,0,0,0|1,0,1]=3 54 B9R0.5 CCOC(=N)CCCCBr MCULE-4651734827 [1,0,0,0,0,0|2,0,1]=4 55 B9R0.5 CCOC(=O)CCCC#N MCULE-3543261727 [1,0,0,0,0,0|1,0,2]=4 56 B9R0.5 CCOC(=O)CCCC=O MCULE-3082074155 [1,0,0,0,0,0|1,0,2]=4 57 B9R0.5 CCOC(=O)CCCCBr MCULE-9188586817 [1,0,0,0,0,0|1,0,1]=3 58 B9R0.5 CCOC(=O)CCCCCl MCULE-8211485770 [1,0,0,0,0,0|1,0,1]=3 59 B9R0.5 CCOC(=O)CCCCI MCULE-9427602912 [1,0,0,0,0,0|1,0,1]=3 60 B9R0.5 CCOC(=O)CCCCN MCULE-3254365356 [1,0,0,0,0,0|1,0,1]=3 61 B9R0.5 CCOC(=O)CCCCN MCULE-6113178932 [1,0,0,0,0,0|1,0,1]=3 62 B9R0.5 CCOC(=O)CCCCO MCULE-3157415426 [1,0,0,0,0,0|1,0,1]=3 63 B9R0.5 CCOC(=O)CNCCN MCULE-5162250475 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.5 CCOC(=O)CNCCN MCULE-6793281928 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.5 CCOC(=O)COCCBr MCULE-4604862482 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.5 CCOC(=O)COCCCl MCULE-9218281344 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.5 CCOC(=O)COCCI MCULE-7705777158 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.5 CCOC(=O)COCCN MCULE-7738890913 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.5 CCOC(=O)COCCN MCULE-8436568303 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.5 CCOC(=O)COCOC MCULE-9141216887 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.5 CCOC(=O)CSCCN MCULE-9316167874 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.5 CCOCCC(=O)OCC MCULE-8331611688 [1,0,0,0,0,0|1,0,1]=3 73 B9R0.18 C=CCCC(=O)CCC=C MCULE-6901053555 [1,0,0,0,0,0|1,0,2]=4 74 B9R0.18 C=CCNC(=O)NCCC MCULE-8298491756 [1,0,0,0,0,0|2,0,0]=3 75 B9R0.18 C=CCOC(=O)CCCBr MCULE-8146290867 [1,0,0,0,0,0|1,0,0]=2 76 B9R0.18 C=CCOC(=O)NCCBr MCULE-6576440406 [1,0,0,0,0,0|2,0,0]=3 77 B9R0.18 C=CCOC(=O)NCCN MCULE-6421369037 [1,0,0,0,0,0|2,0,0]=3 78 B9R0.18 C=CCOC(=O)NCCN MCULE-6961623399 [1,0,0,0,0,0|2,0,0]=3 79 B9R0.18 C=CCOC(=O)NCCO MCULE-4702516756 [1,0,0,0,0,0|2,0,0]=3 80 B9R0.18 C=CCOC(=O)NNCC MCULE-4151293991 [1,0,0,0,0,0|2,0,0]=3 81 B9R0.18 C=CCOC(=O)OCC=C MCULE-3422395320 [1,0,0,0,0,0|1,0,2]=4 82 B9R0.18 CCCCC(=O)CCCC MCULE-6886826396 [1,0,0,0,0,0|1,0,2]=4 83 B9R0.18 CCCCC(=O)OCCC MCULE-9801353359 [1,0,0,0,0,0|0,0,2]=3 84 B9R0.18 CCCOC(=O)OCCC MCULE-9166999585 [1,0,0,0,0,0|1,0,2]=4 85 B9R0.45 C(=CCCCC=C)CC=C MCULE-3670824396 [1,0,0,0,0,0|1,0,2]=4 86 B9R0.45 C=CC/C=C\CCCC=C MCULE-9571175453 [1,0,0,0,0,0|1,0,2]=4 87 B9R0.45 C=CCCCCCCCBr MCULE-6324921683 [1,0,0,0,0,0|2,0,1]=4 88 B9R0.45 C=CCCCCCCCC MCULE-1391753135 [1,0,0,0,0,0|1,0,1]=3 89 B9R0.45 C=CCCCCCCCCl MCULE-3438052360 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.45 C=CCCCCCCCN MCULE-5068886534 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.45 C=CCCCCCCCN MCULE-7639889154 [1,0,0,0,0,0|2,0,1]=4 92 B9R0.45 C=CCCCCCCCO MCULE-9611510472 [1,0,0,0,0,0|2,0,1]=4 93 B9R0.45 C=CCCNCCCCO MCULE-4909275740 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.45 C=CCOCCOCCO MCULE-8770253790 [1,0,0,0,0,0|2,0,1]=4 95 B9R0.45 CCCCC/C=C\CCO MCULE-4434068395 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.45 CCCCCC=CCCO MCULE-4969061256 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.45 CCCCCCCCC=O MCULE-9888879952 [1,0,0,0,0,0|2,0,1]=4 98 B9R0.45 CCCCCCOCCCl MCULE-5675234570 [1,0,0,0,0,0|1,0,2]=4 99 B9R0.45 CCCCCCOCCO MCULE-1339769602 [1,0,0,0,0,0|1,0,2]=4 100 B11R0.5 C=CCCC(=O)CC(=O)OCC MCULE-2994774008 [0,1,0,0,0,0|2,0,1]=4 101 B11R0.11 C=CCOC(=O)[C@@H](N)CCSC MCULE-5823564209 [0,1,0,0,0,0|1,0,0]=2 102 B11R0.11 C=CCOC(=O)[C@@H](N)CCSC MCULE-7442118411 [0,1,0,0,0,0|1,0,0]=2 103 B11R0.11 C=CCOC(=O)[C@@H](N)CCSC MCULE-8729684781 [0,1,0,0,0,0|1,0,0]=2 104 B11R0.11 C=CCOC(=O)[C@@H](N)CCSC MCULE-9056107478 [0,1,0,0,0,0|1,0,0]=2 105 B11R0.11 CCCCC(=O)C(O)CCCC MCULE-4001361196 [0,1,0,0,0,0|1,0,2]=4 106 B11R0.46 C=C(Br)CNC(=O)NCCCC MCULE-8441624498 [0,1,0,0,0,0|2,0,0]=3 107 B11R0.46 C=C(C)CCC(C)CCCCC MCULE-6425071148 [0,1,0,0,0,0|2,0,1]=4 108 B11R0.46 CCCCCC(=O)CCC(=O)O MCULE-5964650416 [0,1,0,0,0,0|2,0,0]=3 109 B11R0.46 CCCCCC(=O)NCC(=O)O MCULE-3960557642 [0,1,0,0,0,0|2,0,0]=3 110 B11R0.46 CCCCCC(=O)NNC(=S)N MCULE-1523802646 [0,1,0,0,0,0|3,0,0]=4 111 B11R0.46 CCCCCC(=O)OCC(C)C MCULE-1038002118 [0,1,0,0,0,0|0,0,2]=3 112 B11R0.46 CCCCNC(=O)CCC(=O)O MCULE-8929331080 [0,1,0,0,0,0|3,0,0]=4 113 B11R0.46 CCCCOC(=O)CCC(=O)C MCULE-7095079350 [0,1,0,0,0,0|2,0,1]=4 114 B11R0.81 C=CCOC(=O)CCCCCC MCULE-3528769589 [0,1,0,0,0,0|0,0,0]=1 115 B11R0.81 C=CCOC(=O)CCCN=N#N MCULE-8809275060 [0,1,0,0,0,0|2,0,0]=3 116 B11R0.81 C=CCOC(=O)NCCCCN MCULE-2829122630 [0,1,0,0,0,0|1,0,0]=2 117 B11R0.81 C=CCOC(=O)NCCCCN MCULE-3149407077 [0,1,0,0,0,0|1,0,0]=2 118 B11R0.81 C=CCOC(=O)NCCCCO MCULE-7383999879 [0,1,0,0,0,0|1,0,0]=2 119 B11R0.81 CCCCCCC(=O)C=CC=O MCULE-3978841928 [0,1,0,0,0,0|2,0,1]=4 120 B11R0.81 CCCCCCC(=O)CCCC MCULE-3791343950 [0,1,0,0,0,0|1,0,2]=4 121 B11R0.81 CCCCCCC(=O)NCCO MCULE-7382167098 [0,1,0,0,0,0|2,0,1]=4 122 B11R0.81 CCCCCCC(=O)OCCC MCULE-6309887109 [0,1,0,0,0,0|0,0,2]=3 123 B11R0.81 CCCCCOC(=O)CCCC MCULE-4804815950 [0,1,0,0,0,0|1,0,2]=4 124 B11R0.81 NCCCCCC(=O)NCCO MCULE-1491906118 [0,1,0,0,0,0|2,0,1]=4 125 B11R0.140 C/C=C/C=C/C(=O)OCCCC MCULE-7596477709 [0,1,0,0,0,0|2,0,1]=4 126 B11R0.140 CC=CC=CC(=O)OCCCC MCULE-6356312398 [0,1,0,0,0,0|2,0,1]=4 127 B11R0.140 CCCCCC(=O)CCCCC MCULE-5966055848 [0,1,0,0,0,0|1,0,2]=4 128 B11R0.140 CCCCCC(=O)OCCCC MCULE-7438606212 [0,1,0,0,0,0|0,0,2]=3 129 B11R0.140 CCCCNC(=O)OCC#CI MCULE-7832679591 [0,1,0,0,0,0|1,0,2]=4 130 B11R0.140 CCCCOC(=O)OCCCC MCULE-2535127433 [0,1,0,0,0,0|1,0,2]=4 131 B11R0.147 C=CCCC(=O)CCCC(=O)O MCULE-5745610877 [0,1,0,0,0,0|2,0,1]=4 132 B11R0.147 C=CCNC(=O)CCCC(=O)O MCULE-3745239449 [0,1,0,0,0,0|2,0,1]=4 133 B11R0.155 CCCCCC(=O)C(C)CCC MCULE-1482856846 [0,1,0,0,0,0|1,0,2]=4 134 B11R1.5 C#CCN1CCCCCC1=O MCULE-4157890671 [0,0,0,1,0,0|1,0,2]=4 135 B11R1.5 NCCN1CCCCCC1=O MCULE-6085364731 [0,0,0,1,0,0|2,0,1]=4 136 B11R1.5 O=C1CCCCCN1CCO MCULE-2748237095 [0,0,0,1,0,0|2,0,1]=4 137 B11R1.17 CCCCC1NCCNC1=O MCULE-8504158690 [0,0,0,1,0,0|2,0,1]=4 138 B11R1.28 CCCCCC1=CC=CC=C1 MCULE-8118768843 [0,0,0,1,0,0|2,0,1]=4 139 B11R1.28 CCCCCC1=CC=CC=N1 MCULE-5660438217 [0,0,0,1,0,0|2,0,1]=4 140 B11R1.28 CCCCCC1=CC=CN=C1 MCULE-2009971983 [0,0,0,1,0,0|3,0,0]=4 141 B11R1.28 CCCCCC1=NC=CN=C1 MCULE-9693233081 [0,0,0,1,0,0|3,0,0]=4 142 B11R1.29 C#CCCC(=O)C1CCCC1 MCULE-9611362726 [0,0,0,1,0,0|1,0,2]=4 143 B11R1.29 C=CCCC(=O)C1CCCN1 MCULE-6002841535 [0,0,0,1,0,0|2,0,0]=3 144 B11R1.29 C=CCCC(=O)C1CCCN1 MCULE-8478134082 [0,0,0,1,0,0|2,0,0]=3 145 B11R1.29 C=CCCC(=O)C1CCCO1 MCULE-8572124228 [0,0,0,1,0,0|2,0,0]=3 146 B11R1.29 C=CCNC(=O)C1CCCC1 MCULE-6766998118 [0,0,0,1,0,0|1,0,0]=2 147 B11R1.29 C=CCNC(=O)C1CCCN1 MCULE-3209298336 [0,0,0,1,0,0|2,0,0]=3 148 B11R1.29 C=CCNC(=O)C1CCCN1 MCULE-5013098067 [0,0,0,1,0,0|2,0,0]=3 149 B11R1.29 C=CCNC(=O)C1CCOC1 MCULE-7871409194 [0,0,0,1,0,0|2,0,0]=3 150 B11R1.29 C=CCNC(=O)N1CCCC1 MCULE-8483843495 [0,0,0,1,0,0|2,0,0]=3 151 B11R1.29 C=CCSC(=S)N1CCCC1 MCULE-5321634142 [0,0,0,1,0,0|1,2,0]=4 152 B11R1.29 CCCCC(=O)C1CCCC1 MCULE-1868643843 [0,0,0,1,0,0|1,0,2]=4 153 B11R1.29 NCCNC(=O)C1CCCC1 MCULE-1685609750 [0,0,0,1,0,0|2,0,1]=4 154 B11R1.29 NCCNC(=O)C1CCCC1 MCULE-6083328043 [0,0,0,1,0,0|2,0,1]=4 155 B11R1.29 O=C(NCCCl)C1CCCC1 MCULE-9862592905 [0,0,0,1,0,0|2,0,1]=4 156 B11R1.101 O=C1CCCCCCCCC1 MCULE-7431354983 [0,0,0,1,0,0|1,0,2]=4 157 B11R1.101 O=C1CCCCCCCCN1 MCULE-4805310836 [0,0,0,1,0,0|1,0,2]=4 158 B11R1.465 CCCCC1=C(CCC1=O)C MCULE-3854801059 [0,0,0,1,0,0|1,0,2]=4 159 B11R1.605 COCC1C(=O)CCCC1C MCULE-4444498649 [0,0,0,1,0,0|2,0,1]=4 160 B11R1.900 C=CCOC1(CCNCC1)C MCULE-5758466148 [0,0,0,1,0,0|2,0,1]=4 161 B11R1.900 C=CCOC1(CCNCC1)C MCULE-6648912366 [0,0,0,1,0,0|2,0,1]=4 162 B8R0.1 C/C=C/C(=O)CCCC MCULE-6753420308 [2,0,0,0,0,0|0,0,2]=4 163 B8R0.1 C=CCC(=O)CCCC MCULE-4100882049 [2,0,0,0,0,0|0,0,0]=2 164 B8R0.1 C=CCC(O)CCCC MCULE-4055894447 [2,0,0,0,0,0|0,0,2]=4 165 B8R0.1 C=CCCC(=O)CCC MCULE-9846709255 [2,0,0,0,0,0|1,0,0]=3 166 B8R0.1 C=CCCC(=O)OCC MCULE-4147956319 [2,0,0,0,0,0|2,0,0]=4 167 B8R0.1 C=CCNC(=O)CCCl MCULE-6677973884 [2,0,0,0,0,0|2,0,0]=4 168 B8R0.1 C=CCNC(=O)CCN MCULE-3047926848 [2,0,0,0,0,0|2,0,0]=4 169 B8R0.1 C=CCNC(=O)CCN MCULE-3311649144 [2,0,0,0,0,0|2,0,0]=4 170 B8R0.1 C=CCNC(=O)CNC MCULE-3751200138 [2,0,0,0,0,0|2,0,0]=4 171 B8R0.1 C=CCNC(=O)CNC MCULE-7358806932 [2,0,0,0,0,0|2,0,0]=4 172 B8R0.1 C=CCOC(=O)/C=C/C MCULE-8988055269 [2,0,0,0,0,0|0,0,2]=4 173 B8R0.1 C=CCOC(=O)CC#N MCULE-6302930659 [2,0,0,0,0,0|1,0,1]=4 174 B8R0.1 C=CCOC(=O)CCC MCULE-7209016839 [2,0,0,0,0,0|0,0,0]=2 175 B8R0.1 C=CCOC(=O)OCC MCULE-4897941593 [2,0,0,0,0,0|1,0,0]=3 176 B8R0.1 CC=CC(=O)CCCC MCULE-2281679965 [2,0,0,0,0,0|0,0,2]=4 177 B8R0.1 CCCC(=O)OCCCl MCULE-8469083528 [2,0,0,0,0,0|1,0,1]=4 178 B8R0.1 CCCC(=O)OCCO MCULE-5942976945 [2,0,0,0,0,0|1,0,1]=4 179 B8R0.1 CCCCC(=N)OCC MCULE-3866961773 [2,0,0,0,0,0|1,0,1]=4 180 B8R0.1 CCCCC(=N)OCC MCULE-6116145724 [2,0,0,0,0,0|1,0,1]=4 181 B8R0.1 CCCCC(=O)CCC MCULE-5459540473 [2,0,0,0,0,0|0,0,2]=4 182 B8R0.1 CCCCC(=O)COC MCULE-7059597173 [2,0,0,0,0,0|1,0,1]=4 183 B8R0.1 CCCCC(=O)OCC MCULE-1219537918 [2,0,0,0,0,0|0,0,1]=3 184 B8R0.1 CCCCC(=O)OCCl MCULE-1974449433 [2,0,0,0,0,0|1,0,0]=3 185 B8R0.1 CCCOC(=O)CCC MCULE-7673125406 [2,0,0,0,0,0|0,0,2]=4 186 B8R0.1 CCCOC(=O)OCCl MCULE-7435813375 [2,0,0,0,0,0|2,0,0]=4 187 B8R0.1 CCNCC(=O)OCC MCULE-7972358572 [2,0,0,0,0,0|1,0,1]=4 188 B8R0.1 CCNCC(=O)OCC MCULE-8893227629 [2,0,0,0,0,0|1,0,1]=4 189 B8R0.1 CCOC(=O)CCCBr MCULE-5001503693 [2,0,0,0,0,0|1,0,1]=4 190 B8R0.1 CCOC(=O)CCCCl MCULE-4945067440 [2,0,0,0,0,0|1,0,1]=4 191 B8R0.1 CCOC(=O)CCCI MCULE-3229549270 [2,0,0,0,0,0|1,0,1]=4 192 B8R0.1 CCOC(=O)CCCN MCULE-3396270547 [2,0,0,0,0,0|1,0,1]=4 193 B8R0.1 CCOC(=O)CCCO MCULE-6165580365 [2,0,0,0,0,0|1,0,1]=4 194 B8R0.1 CCOC(=O)CCCS MCULE-6616511520 [2,0,0,0,0,0|1,0,1]=4 195 B8R0.1 CCOC(=O)CCC[NH3+] MCULE-4462126494 [2,0,0,0,0,0|1,0,1]=4 196 B8R0.1 CCOC(=O)CCNC MCULE-2052970996 [2,0,0,0,0,0|1,0,1]=4 197 B8R0.1 CCOC(=O)CCNC MCULE-5442289273 [2,0,0,0,0,0|1,0,1]=4 198 B8R0.1 CCOC(=O)CCOC MCULE-5983048130 [2,0,0,0,0,0|1,0,1]=4 199 B8R0.1 CCOC(=O)CCSC MCULE-6834820952 [2,0,0,0,0,0|1,0,1]=4 200 B8R0.1 CCOC(=O)CSCC MCULE-5930366300 [2,0,0,0,0,0|1,0,1]=4 201 B8R0.1 CCOCC(=O)OCC MCULE-5439289896 [2,0,0,0,0,0|1,0,1]=4 202 B8R0.4 C=CCCCCCCBr MCULE-6451772855 [2,0,0,0,0,0|1,0,1]=4 203 B8R0.4 C=CCCCCCCC MCULE-8103203416 [2,0,0,0,0,0|0,0,1]=3 204 B8R0.4 C=CCCCCCCCl MCULE-2359680024 [2,0,0,0,0,0|1,0,1]=4 205 B8R0.4 C=CCCCCCCI MCULE-2548377676 [2,0,0,0,0,0|1,0,1]=4 206 B8R0.4 C=CCCCCCCN MCULE-3465800348 [2,0,0,0,0,0|1,0,1]=4 207 B8R0.4 C=CCCCCCCN MCULE-9820466293 [2,0,0,0,0,0|1,0,1]=4 208 B8R0.4 C=CCCCCCCO MCULE-8561904793 [2,0,0,0,0,0|1,0,1]=4 209 B8R0.4 C=CCCCCCNC MCULE-9487840122 [2,0,0,0,0,0|1,0,1]=4 210 B8R0.4 C=CCOCCCCO MCULE-6517087003 [2,0,0,0,0,0|1,0,0]=3 211 B8R0.4 CCCCC/C=C/C=O MCULE-9410244042 [2,0,0,0,0,0|1,0,1]=4 212 B8R0.4 CCCCC/C=C/CO MCULE-2538979274 [2,0,0,0,0,0|2,0,0]=4 213 B8R0.4 CCCCCC=CC=O MCULE-7640230490 [2,0,0,0,0,0|1,0,1]=4 214 B8R0.4 CCCCCC=CCO MCULE-7026544339 [2,0,0,0,0,0|2,0,0]=4 215 B8R0.4 CCCCCCCC=O MCULE-7111365457 [2,0,0,0,0,0|1,0,1]=4 216 B8R0.4 CCCCCCOC=O MCULE-1329787181 [2,0,0,0,0,0|1,0,1]=4 217 B8R0.4 CCCCCNOCC MCULE-5426574695 [2,0,0,0,0,0|1,0,1]=4 218 B8R0.4 CCCCCNOCC MCULE-6155853359 [2,0,0,0,0,0|1,0,1]=4 219 B8R0.4 CCCCCOCCO MCULE-3393695257 [2,0,0,0,0,0|1,0,1]=4 220 B8R0.4 CCOCCOCC=O MCULE-4431979706 [2,0,0,0,0,0|2,0,0]=4 221 B8R0.6 C#CCCCC(=O)OC MCULE-1834140672 [2,0,0,0,0,0|0,0,2]=4 222 B8R0.6 C=CC(=O)CCCCC MCULE-9094274880 [2,0,0,0,0,0|0,0,0]=2 223 B8R0.6 C=CC(=O)NCCCC MCULE-9365109925 [2,0,0,0,0,0|1,0,0]=3 224 B8R0.6 C=CC(=O)NCCOC MCULE-1939884493 [2,0,0,0,0,0|2,0,0]=4 225 B8R0.6 C=CC(=O)OCCCC MCULE-6944090543 [2,0,0,0,0,0|1,0,0]=3 226 B8R0.6 C=CC(=O)OCCCO MCULE-7957370216 [2,0,0,0,0,0|2,0,0]=4 227 B8R0.6 C=CC(=O)OCCOC MCULE-6865078247 [2,0,0,0,0,0|2,0,0]=4 228 B8R0.6 C=CC(O)CCCCC MCULE-3974016765 [2,0,0,0,0,0|0,0,2]=4 229 B8R0.6 C=CCCCC(=O)OC MCULE-4913183131 [2,0,0,0,0,0|0,0,2]=4 230 B8R0.6 CCC/C=C/C(=O)OC MCULE-6273561448 [2,0,0,0,0,0|0,0,2]=4 231 B8R0.6 CCC=CCC(=O)OC MCULE-6432541061 [2,0,0,0,0,0|0,0,2]=4 232 B8R0.6 CCCC#CC(=O)OC MCULE-1573744334 [2,0,0,0,0,0|0,0,2]=4 233 B8R0.6 CCCC=CC(=O)OC MCULE-1227063444 [2,0,0,0,0,0|0,0,2]=4 234 B8R0.6 CCCCCC(=O)CBr MCULE-6642335283 [2,0,0,0,0,0|1,0,0]=3 235 B8R0.6 CCCCCC(=O)CC MCULE-2012071553 [2,0,0,0,0,0|0,0,1]=3 236 B8R0.6 CCCCCC(=O)NN MCULE-3138841743 [2,0,0,0,0,0|2,0,0]=4 237 B8R0.6 CCCCCC(=O)NO MCULE-8432990947 [2,0,0,0,0,0|2,0,0]=4 238 B8R0.6 CCCCCC(=O)OC MCULE-2317616388 [2,0,0,0,0,0|0,0,0]=2 239 B8R0.6 CCCCNC(=O)CBr MCULE-4128795630 [2,0,0,0,0,0|2,0,0]=4 240 B8R0.6 CCCCNC(=O)CC MCULE-3176114265 [2,0,0,0,0,0|1,0,1]=4 241 B8R0.6 CCCCNC(=O)CCl MCULE-6162581938 [2,0,0,0,0,0|2,0,0]=4 242 B8R0.6 CCCCNC(=O)CN MCULE-2730890796 [2,0,0,0,0,0|2,0,0]=4 243 B8R0.6 CCCCNC(=O)CN MCULE-8794795131 [2,0,0,0,0,0|2,0,0]=4 244 B8R0.6 CCCCNC(=O)NC MCULE-7920588549 [2,0,0,0,0,0|2,0,0]=4 245 B8R0.6 CCCCOC(=O)C=O MCULE-1707513945 [2,0,0,0,0,0|2,0,0]=4 246 B8R0.6 CCCCOC(=O)CBr MCULE-8883996630 [2,0,0,0,0,0|2,0,0]=4 247 B8R0.6 CCCCOC(=O)CC MCULE-4622389592 [2,0,0,0,0,0|1,0,1]=4 248 B8R0.6 CCCCOC(=O)CCl MCULE-1608118057 [2,0,0,0,0,0|2,0,0]=4 249 B8R0.6 CCCCOC(=O)CF MCULE-1355274212 [2,0,0,0,0,0|2,0,0]=4 250 B8R0.6 CCCCOC(=O)CN MCULE-9168260466 [2,0,0,0,0,0|2,0,0]=4 251 B8R0.6 CCCCOC(=O)CN MCULE-9585888268 [2,0,0,0,0,0|2,0,0]=4 252 B8R0.6 CCCCOC(=O)CO MCULE-4016266350 [2,0,0,0,0,0|2,0,0]=4 253 B8R0.6 CCCCOC(=O)CS MCULE-4331308025 [2,0,0,0,0,0|2,0,0]=4 254 B8R0.6 CCCNCC(=O)NC MCULE-4750972571 [2,0,0,0,0,0|2,0,0]=4 255 B8R0.6 CCCNCC(=O)OC MCULE-3321545319 [2,0,0,0,0,0|1,0,0]=3 256 B8R0.6 CCCNCC(=O)OC MCULE-5989619684 [2,0,0,0,0,0|1,0,0]=3 257 B8R0.6 CCCSCC(=O)OC MCULE-3865642484 [2,0,0,0,0,0|1,0,0]=3 258 B8R0.6 CCNCCC(=O)NC MCULE-8230774906 [2,0,0,0,0,0|2,0,0]=4 259 B8R0.6 CCNCCC(=O)NC MCULE-9131674592 [2,0,0,0,0,0|2,0,0]=4 260 B8R0.6 CCNCCC(=O)OC MCULE-4846173976 [2,0,0,0,0,0|1,0,0]=3 261 B8R0.6 CCOCCC(=N)OC MCULE-1143058685 [2,0,0,0,0,0|2,0,0]=4 262 B8R0.6 CCOCCC(=N)OC MCULE-1528455249 [2,0,0,0,0,0|2,0,0]=4 263 B8R0.6 CCSCCC(=O)OC MCULE-5773388371 [2,0,0,0,0,0|1,0,0]=3 264 B8R0.6 CNCCCC(=O)OC MCULE-2437073705 [2,0,0,0,0,0|1,0,0]=3 265 B8R0.6 CNCCCC(=O)OC MCULE-6776715081 [2,0,0,0,0,0|1,0,0]=3 266 B8R0.6 COC(=O)CCCC#N MCULE-9088492518 [2,0,0,0,0,0|1,0,1]=4 267 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [2,0,0,0,0,0|1,0,1]=4 268 B8R0.6 COC(=O)CCCCBr MCULE-8354790214 [2,0,0,0,0,0|1,0,0]=3 269 B8R0.6 COC(=O)CCCCCl MCULE-7057883989 [2,0,0,0,0,0|1,0,0]=3 270 B8R0.6 COC(=O)CCCCI MCULE-1527923255 [2,0,0,0,0,0|1,0,0]=3 271 B8R0.6 COC(=O)CCCCN MCULE-3452725442 [2,0,0,0,0,0|1,0,0]=3 272 B8R0.6 COC(=O)CCCCN MCULE-8816545129 [2,0,0,0,0,0|1,0,0]=3 273 B8R0.6 COC(=O)CCCCO MCULE-2443996181 [2,0,0,0,0,0|1,0,0]=3 274 B8R0.6 COC(=O)CCCCS MCULE-5194099368 [2,0,0,0,0,0|1,0,0]=3 275 B8R0.6 COC(=O)CCCON MCULE-1522874324 [2,0,0,0,0,0|2,0,0]=4 276 B8R0.6 COC(=O)CCCON MCULE-4748610058 [2,0,0,0,0,0|2,0,0]=4 277 B8R0.6 COC(=O)CCCSC MCULE-7320944174 [2,0,0,0,0,0|1,0,0]=3 278 B8R0.6 COC(=O)COCCCl MCULE-4344602258 [2,0,0,0,0,0|2,0,0]=4 279 B8R0.6 COC(=O)COCCN MCULE-5090944064 [2,0,0,0,0,0|2,0,0]=4 280 B8R0.6 COC(=O)COCCN MCULE-6748820855 [2,0,0,0,0,0|2,0,0]=4 281 B8R0.6 COC(=O)COCCO MCULE-7869619911 [2,0,0,0,0,0|2,0,0]=4 282 B8R0.6 COC(=O)CSCCN MCULE-5578128958 [2,0,0,0,0,0|2,0,0]=4 283 B8R0.6 COC(=O)CSCCN MCULE-6891143571 [2,0,0,0,0,0|2,0,0]=4 284 B8R0.6 COCCCC(=O)OC MCULE-4109110804 [2,0,0,0,0,0|1,0,0]=3 285 B8R0.6 CONCCC(=O)OC MCULE-8622619087 [2,0,0,0,0,0|2,0,0]=4 286 B10R0.1 C#CCCCCC(=O)OCC MCULE-4159925776 [1,1,0,0,0,0|0,0,2]=4 287 B10R0.1 C=CCC(C)CCCCCC MCULE-9669056285 [1,1,0,0,0,0|1,0,1]=4 288 B10R0.1 C=CCCCCC(=O)OCC MCULE-4796834258 [1,1,0,0,0,0|0,0,2]=4 289 B10R0.1 CC=CCCCC(=O)OCC MCULE-9997629917 [1,1,0,0,0,0|0,0,2]=4 290 B10R0.1 CCCCC#CC(=O)OCC MCULE-4077079917 [1,1,0,0,0,0|0,0,2]=4 291 B10R0.1 CCCCCCC(=O)CCC MCULE-1716736963 [1,1,0,0,0,0|0,0,2]=4 292 B10R0.1 CCCCCCC(=O)OCC MCULE-9137582636 [1,1,0,0,0,0|0,0,1]=3 293 B10R0.1 CCCCCNC(=O)CC#N MCULE-8873285405 [1,1,0,0,0,0|1,0,1]=4 294 B10R0.1 CCCCCNC(=O)CCC MCULE-7374835979 [1,1,0,0,0,0|0,0,2]=4 295 B10R0.1 CCCCCOC(=O)CC#N MCULE-2626707454 [1,1,0,0,0,0|1,0,1]=4 296 B10R0.1 CCCCCOC(=O)CCC MCULE-8850994391 [1,1,0,0,0,0|0,0,2]=4 297 B10R0.1 CCCCNCC(=O)OCC MCULE-9216905823 [1,1,0,0,0,0|0,0,1]=3 298 B10R0.1 CCCNCCC(=O)NCC MCULE-2244073736 [1,1,0,0,0,0|1,0,1]=4 299 B10R0.1 CCCNCCC(=O)OCC MCULE-7490328359 [1,1,0,0,0,0|0,0,1]=3 300 B10R0.1 CCOC(=O)CCCCC#N MCULE-4576520215 [1,1,0,0,0,0|0,0,2]=4 301 B10R0.1 CCOC(=O)CCCCC=O MCULE-7732334617 [1,1,0,0,0,0|0,0,2]=4 302 B10R0.1 CCOC(=O)CCCCCBr MCULE-8003265411 [1,1,0,0,0,0|0,0,1]=3 303 B10R0.1 CCOC(=O)CCCCCCl MCULE-4088253059 [1,1,0,0,0,0|0,0,1]=3 304 B10R0.1 CCOC(=O)CCCCCI MCULE-9635955061 [1,1,0,0,0,0|0,0,1]=3 305 B10R0.1 CCOC(=O)CCCCCN MCULE-3923374138 [1,1,0,0,0,0|0,0,1]=3 306 B10R0.1 CCOC(=O)CCCCCN MCULE-5512054492 [1,1,0,0,0,0|0,0,1]=3 307 B10R0.1 CCOC(=O)CCCCCO MCULE-3245932025 [1,1,0,0,0,0|0,0,1]=3 308 B10R0.1 CCOC(=O)CCSCCO MCULE-8638992281 [1,1,0,0,0,0|1,0,1]=4 309 B10R0.1 CCOC(=O)CNCCOC MCULE-2646976797 [1,1,0,0,0,0|1,0,1]=4 310 B10R0.1 CCOC(=O)COCCCCl MCULE-4550907435 [1,1,0,0,0,0|1,0,1]=4 311 B10R0.1 CCOC(=O)COCCCO MCULE-9785348075 [1,1,0,0,0,0|1,0,1]=4 312 B10R0.1 CCOCCCC(=O)OCC MCULE-9855302324 [1,1,0,0,0,0|0,0,1]=3 313 B10R0.2 CCCC(=O)CC(=O)OCC MCULE-5166823353 [1,1,0,0,0,0|0,0,2]=4 314 B10R0.2 CCCC(C)CC(=O)OCC MCULE-8935140518 [1,1,0,0,0,0|0,0,1]=3 315 B10R0.2 CCCC(N)CC(=O)OCC MCULE-1001870682 [1,1,0,0,0,0|0,0,1]=3 316 B10R0.2 CCCC(N)CC(=O)OCC MCULE-1944209512 [1,1,0,0,0,0|0,0,1]=3 317 B10R0.2 CCCC(O)CC(=O)OCC MCULE-5905342292 [1,1,0,0,0,0|0,0,1]=3 318 B10R0.2 CCC[C@H](O)CC(=O)OCC MCULE-9017403904 [1,1,0,0,0,0|0,0,1]=3 319 B10R0.2 CCNC(C)CC(=O)OCC MCULE-2058750344 [1,1,0,0,0,0|1,0,1]=4 320 B10R0.2 CCOC(=O)CC(C)SCC MCULE-2636596878 [1,1,0,0,0,0|1,0,1]=4 321 B10R0.2 CCOC(=O)CC(O)CCN MCULE-1248900915 [1,1,0,0,0,0|1,0,1]=4 322 B10R0.2 CCOC(=O)CC(O)CCN MCULE-3855586387 [1,1,0,0,0,0|1,0,1]=4 323 B10R0.2 CCOC(=O)C[C@H](O)CCN MCULE-2186128767 [1,1,0,0,0,0|1,0,1]=4 324 B10R0.2 CCOC(=O)C[C@H](O)CCN MCULE-2862289323 [1,1,0,0,0,0|1,0,1]=4 325 B10R0.2 [C@@H](O)(CCN)CC(=O)OCC MCULE-5946205626 [1,1,0,0,0,0|1,0,1]=4 326 B10R0.2 [C@@H](O)(CCN)CC(=O)OCC MCULE-8503181083 [1,1,0,0,0,0|1,0,1]=4 327 B10R0.3 C=C(C)CCCC(=O)OCC MCULE-8269913859 [1,1,0,0,0,0|0,0,2]=4 328 B10R0.3 CC(C)CCCC(=O)OCCl MCULE-8902704823 [1,1,0,0,0,0|1,0,0]=3 329 B10R0.3 CCOC(=O)CCCC(=O)C MCULE-7629371322 [1,1,0,0,0,0|0,0,2]=4 330 B10R0.3 CCOC(=O)CCCC(C)C MCULE-5911402423 [1,1,0,0,0,0|0,0,1]=3 331 B10R0.3 CCOC(=O)CCCC(C)O MCULE-4085625939 [1,1,0,0,0,0|0,0,1]=3 332 B10R0.3 CCOC(=O)CCCN(C)C MCULE-7611481357 [1,1,0,0,0,0|1,0,1]=4 333 B10R0.3 CCOC(=O)CCNC(C)C MCULE-3306500848 [1,1,0,0,0,0|1,0,1]=4 334 B10R0.3 CCOC(=O)CCNC(C)C MCULE-7144839681 [1,1,0,0,0,0|1,0,1]=4 335 B10R0.3 CCOC(=O)CNCC(C)C MCULE-6992318383 [1,1,0,0,0,0|1,0,1]=4 336 B10R0.3 CCOC(=O)CNCC(C)C MCULE-7092441665 [1,1,0,0,0,0|1,0,1]=4 337 B10R0.3 CCOC(=O)COCC(C)C MCULE-2087571280 [1,1,0,0,0,0|1,0,1]=4 338 B10R0.6 C=C(C)CC(C)CCCCC MCULE-9311251673 [1,1,0,0,0,0|1,0,1]=4 339 B10R0.6 CCCCCC(=O)CC(=O)C MCULE-8236892696 [1,1,0,0,0,0|0,0,1]=3 340 B10R0.6 CCCCCC(=O)NC(=S)N MCULE-2245655459 [1,1,0,0,0,0|2,0,0]=4 341 B10R0.6 CCCCCC(=O)OC(C)C MCULE-8358011398 [1,1,0,0,0,0|0,0,1]=3 342 B10R0.6 CCCCNC(=O)CC(=O)C MCULE-6483428410 [1,1,0,0,0,0|1,0,1]=4 343 B10R0.6 CCCCOC(=O)CC(=O)C MCULE-4579556378 [1,1,0,0,0,0|1,0,1]=4 344 B10R0.6 CCCOCC(=O)OC(C)C MCULE-1754769634 [1,1,0,0,0,0|1,0,1]=4 345 B10R0.19 CCCCC(=O)C(=O)OCC MCULE-8276085890 [1,1,0,0,0,0|0,0,2]=4 346 B10R0.19 CCCCC(Br)C(=O)OCC MCULE-3410486181 [1,1,0,0,0,0|0,0,1]=3 347 B10R0.19 CCCCC(N)C(=O)OCC MCULE-5403085036 [1,1,0,0,0,0|0,0,1]=3 348 B10R0.19 CCCCC(O)C(=O)OCC MCULE-4503955337 [1,1,0,0,0,0|0,0,1]=3 349 B10R0.19 CCOC(=O)C(Br)CCCBr MCULE-3762513838 [1,1,0,0,0,0|1,0,1]=4 350 B10R0.19 CCOC(=O)C(N)CCCN MCULE-2555939527 [1,1,0,0,0,0|1,0,1]=4 351 B10R0.19 CCOC(=O)C(N)CCCN MCULE-4082808351 [1,1,0,0,0,0|1,0,1]=4 352 B10R0.19 CCOC(=O)C(N)CCCN MCULE-5372876457 [1,1,0,0,0,0|1,0,1]=4 353 B10R0.19 CCOC(=O)C(N)CCCN MCULE-8592429166 [1,1,0,0,0,0|1,0,1]=4 354 B10R0.19 CCOC(=O)C(N)CCSC MCULE-3027327514 [1,1,0,0,0,0|1,0,1]=4 355 B10R0.19 CCOC(=O)C(N)CCSC MCULE-5873613959 [1,1,0,0,0,0|1,0,1]=4 356 B10R0.19 CCOC(=O)C(N)CCSC MCULE-6683307625 [1,1,0,0,0,0|1,0,1]=4 357 B10R0.19 CCOC(=O)C(N)CCSC MCULE-9963255300 [1,1,0,0,0,0|1,0,1]=4 358 B10R0.19 CCOC(=O)C(O)CCSC MCULE-5087273039 [1,1,0,0,0,0|1,0,1]=4 359 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-1256058333 [1,1,0,0,0,0|1,0,1]=4 360 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-1955429029 [1,1,0,0,0,0|1,0,1]=4 361 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-5817990493 [1,1,0,0,0,0|1,0,1]=4 362 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-6543729272 [1,1,0,0,0,0|1,0,1]=4 363 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-6712624243 [1,1,0,0,0,0|1,0,1]=4 364 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-2603296581 [1,1,0,0,0,0|1,0,1]=4 365 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6126904564 [1,1,0,0,0,0|1,0,1]=4 366 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6254414481 [1,1,0,0,0,0|1,0,1]=4 367 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6350339090 [1,1,0,0,0,0|1,0,1]=4 368 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-4024487209 [1,1,0,0,0,0|1,0,1]=4 369 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-4906972094 [1,1,0,0,0,0|1,0,1]=4 370 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-5780620225 [1,1,0,0,0,0|1,0,1]=4 371 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-6331108043 [1,1,0,0,0,0|1,0,1]=4 372 B10R0.24 C=CCC(CC)CCCCC MCULE-3685970860 [1,1,0,0,0,0|1,0,1]=4 373 B10R0.83 CCCCCC(=O)C(C)CC MCULE-8709917766 [1,1,0,0,0,0|0,0,2]=4 374 B10R0.83 CCCCCC(=O)C(N)CO MCULE-3102740681 [1,1,0,0,0,0|1,0,1]=4 375 B10R0.83 CCCCCC(=O)C(N)CO MCULE-5960330140 [1,1,0,0,0,0|1,0,1]=4 376 B10R0.108 CCOC(=O)CCC(=O)CC MCULE-8002220473 [1,1,0,0,0,0|0,0,2]=4 377 B10R0.18 C=CCNC(=O)NC(C)CC MCULE-3554530196 [1,1,0,0,0,0|2,0,0]=4 378 B10R0.18 C=CCOC(=O)N[C@@H](C)CO MCULE-7216393499 [1,1,0,0,0,0|2,0,0]=4 379 B10R0.18 C=CCOC(=O)N[C@H](C)CO MCULE-1796568907 [1,1,0,0,0,0|2,0,0]=4 380 B10R0.78 C=CCOC(=O)CCC(=O)O MCULE-8268614483 [1,1,0,0,0,0|1,0,1]=4 381 B10R0.78 CCCCC(=O)CCC(=O)O MCULE-7337930692 [1,1,0,0,0,0|2,0,0]=4 382 B10R0.78 CCCCC(=O)NCC(=O)O MCULE-9839707919 [1,1,0,0,0,0|2,0,0]=4 383 B10R0.78 CCCCC(=O)OCC(C)C MCULE-8939238983 [1,1,0,0,0,0|0,0,2]=4 384 B10R0.4 C=C(Br)CCCCCCCC MCULE-6632348327 [1,1,0,0,0,0|1,0,1]=4 385 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [1,1,0,0,0,0|1,0,1]=4 386 B10R0.4 C=C(Cl)CCCCCCCC MCULE-5745154351 [1,1,0,0,0,0|1,0,1]=4 387 B10R0.4 C=CCCCCCCC(C)O MCULE-8946172514 [1,1,0,0,0,0|1,0,1]=4 388 B10R0.4 C=CCCCCCC[C@@H](C)O MCULE-8592463039 [1,1,0,0,0,0|1,0,1]=4 389 B10R0.4 C=CCCCCCC[C@@H](C)O MCULE-9140993826 [1,1,0,0,0,0|1,0,1]=4 390 B10R0.4 C=CCCCCCC[C@H](C)O MCULE-8109598857 [1,1,0,0,0,0|1,0,1]=4 391 B10R0.4 C=CCOCCOCC(C)C MCULE-3979163974 [1,1,0,0,0,0|1,0,1]=4 392 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [1,1,0,0,0,0|2,0,0]=4 393 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [1,1,0,0,0,0|2,0,0]=4 394 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [1,1,0,0,0,0|1,0,1]=4 395 B10R0.71 C=CC=CC=CCCCCC MCULE-9947050551 [1,1,0,0,0,0|1,0,1]=4 396 B10R0.71 C=CCCCCCCCCBr MCULE-9645873151 [1,1,0,0,0,0|1,0,1]=4 397 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [1,1,0,0,0,0|1,0,1]=4 398 B10R0.71 C=CCCCCCCCCI MCULE-5534023915 [1,1,0,0,0,0|1,0,1]=4 399 B10R0.71 C=CCCCCCCCCN MCULE-2867070960 [1,1,0,0,0,0|1,0,1]=4 400 B10R0.71 C=CCCCCCCCCN MCULE-6734552056 [1,1,0,0,0,0|1,0,1]=4 401 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [1,1,0,0,0,0|1,0,1]=4 402 B10R0.71 C=CCCCCSCCCC MCULE-9557499584 [1,1,0,0,0,0|1,0,1]=4 403 B10R0.71 C=CCOCCOCCOC MCULE-4173919087 [1,1,0,0,0,0|1,0,1]=4 404 B10R0.71 C=CCOCCSCCCC MCULE-5814639814 [1,1,0,0,0,0|0,0,1]=3 405 B10R0.71 C=COCCCCCCCC MCULE-9207967577 [1,1,0,0,0,0|1,0,1]=4 406 B10R0.71 CCCCC/C=C/C=C/C=O MCULE-8478423084 [1,1,0,0,0,0|1,0,1]=4 407 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [1,1,0,0,0,0|1,0,1]=4 408 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [1,1,0,0,0,0|1,0,1]=4 409 B10R0.71 CCCCCC=CC=CC=O MCULE-9055179345 [1,1,0,0,0,0|1,0,1]=4 410 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [1,1,0,0,0,0|1,0,1]=4 411 B10R0.74 C=CC(=O)OCCCCCC MCULE-5221212930 [1,1,0,0,0,0|0,0,2]=4 412 B10R0.74 C=CC(O)CCCCCCC MCULE-2034118054 [1,1,0,0,0,0|1,0,1]=4 413 B10R0.74 C=CCCCCCC(C)CC MCULE-1533986474 [1,1,0,0,0,0|1,0,1]=4 414 B12R0.239 CC=CCCC(=O)CC(O)CCO MCULE-2042213868 [0,2,0,0,0,0|2,0,0]=4 415 B12R0.351 CCCCC(CC)C(=O)OCCC MCULE-1852439276 [0,2,0,0,0,0|0,0,2]=4 416 B12R0.351 CCCCC(CC)C(=O)OCCO MCULE-9179912722 [0,2,0,0,0,0|1,0,1]=4 417 B12R0.648 NCCCCC(N)C(=O)OCCN MCULE-2011773374 [0,2,0,0,0,0|1,0,1]=4 418 B12R0.648 NCCCCC(N)C(=O)OCCN MCULE-8369070558 [0,2,0,0,0,0|1,0,1]=4 419 B12R0.123 CCCCCC(=O)NC(C)C(=O)O MCULE-5820006482 [0,2,0,0,0,0|2,0,0]=4 420 B12R0.255 CCCCCCC(=O)CCC(=O)O MCULE-1506437124 [0,2,0,0,0,0|2,0,0]=4 421 B12R0.255 CCCCCCC(=O)OCC(C)C MCULE-8336851336 [0,2,0,0,0,0|0,0,2]=4 422 B12R0.6 C=CCOC(=O)NCC(C)(C)CO MCULE-1227205761 [0,2,0,0,0,0|2,0,0]=4 423 B12R0.47 C=CCOCC(O)CSCCCC MCULE-3081176081 [0,2,0,0,0,0|0,0,2]=4 424 B12R0.47 CCCCCCC(=O)OCCCC MCULE-4457155333 [0,2,0,0,0,0|0,0,2]=4 425 B12R0.47 CCCCCOC(=O)CCCCC MCULE-4135523920 [0,2,0,0,0,0|0,0,2]=4 426 B12R0.95 C=CCNC(=O)CCCCC(=O)O MCULE-5250916966 [0,2,0,0,0,0|1,0,1]=4 427 B12R0.95 C=CCOC(=O)COCCC(C)C MCULE-3900495779 [0,2,0,0,0,0|0,0,0]=2 428 B12R0.114 C=CCC(O)C(=O)OCCCCC MCULE-1375593671 [0,2,0,0,0,0|1,0,0]=3 429 B12R0.206 C=CCOC(=O)NCCCCCN MCULE-8155188853 [0,2,0,0,0,0|0,0,0]=2 430 B12R0.206 C=CCOC(=O)NCCCCCN MCULE-9515737783 [0,2,0,0,0,0|0,0,0]=2 431 B12R0.206 C=CCOC(=O)NCCCCCO MCULE-4464976861 [0,2,0,0,0,0|0,0,0]=2 432 B12R0.206 C=CCOC(=O)NCCOCCO MCULE-1425457622 [0,2,0,0,0,0|1,0,0]=3 433 B12R0.206 CCCCCCCC(=O)OCCC MCULE-5108681764 [0,2,0,0,0,0|0,0,2]=4 434 B12R0.233 CCCCCC(=O)CCCC(=O)O MCULE-7183792222 [0,2,0,0,0,0|1,0,1]=4 435 B12R0.233 CCCCCC(=O)NCCC(=O)O MCULE-7265291580 [0,2,0,0,0,0|1,0,1]=4 436 B12R0.233 CCCCCC(=O)OCCC(C)C MCULE-8207163347 [0,2,0,0,0,0|0,0,2]=4 437 B12R0.233 CCCCNC(=O)COCC(=O)O MCULE-2161293982 [0,2,0,0,0,0|2,0,0]=4 438 B12R0.104 C=CCOC(=O)NCCS(=O)(=O)C MCULE-4672890828 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.10 CCCC1CC(=O)CCN1 MCULE-1509807204 [1,0,0,1,0,0|1,0,1]=4 440 B10R1.10 CCCC1CC(=O)CCN1 MCULE-1669137140 [1,0,0,1,0,0|1,0,1]=4 441 B10R1.10 CCCC1CC(=O)CCO1 MCULE-7566764510 [1,0,0,1,0,0|1,0,1]=4 442 B10R1.10 CCCC1CCCC(=O)C1 MCULE-7668769463 [1,0,0,1,0,0|0,0,2]=4 443 B10R1.10 CCCC1CCNC(=O)C1 MCULE-2999950135 [1,0,0,1,0,0|1,0,1]=4 444 B10R1.11 CCCC(=O)C1CCCC1 MCULE-4828860258 [1,0,0,1,0,0|0,0,2]=4 445 B10R1.11 CCOC(=O)C1CCCC1 MCULE-2663692680 [1,0,0,1,0,0|0,0,1]=3 446 B10R1.11 CCOC(=O)C1CCCN1 MCULE-1775024232 [1,0,0,1,0,0|1,0,1]=4 447 B10R1.11 CCOC(=O)C1CCCN1 MCULE-1903883256 [1,0,0,1,0,0|1,0,1]=4 448 B10R1.11 CCOC(=O)C1CCCN1 MCULE-3451901294 [1,0,0,1,0,0|1,0,1]=4 449 B10R1.11 CCOC(=O)C1CCCN1 MCULE-7141672180 [1,0,0,1,0,0|1,0,1]=4 450 B10R1.11 CCOC(=O)C1CCCO1 MCULE-5716361491 [1,0,0,1,0,0|1,0,1]=4 451 B10R1.11 CCOC(=O)C1CCNC1 MCULE-7115213916 [1,0,0,1,0,0|1,0,1]=4 452 B10R1.11 CCOC(=O)C1CCNC1 MCULE-9152531741 [1,0,0,1,0,0|1,0,1]=4 453 B10R1.11 CCOC(=O)C1CCNC1 MCULE-9679994536 [1,0,0,1,0,0|1,0,1]=4 454 B10R1.11 CCOC(=O)C1CCOC1 MCULE-3052876388 [1,0,0,1,0,0|1,0,1]=4 455 B10R1.11 CCOC(=O)N1CCCC1 MCULE-8096151948 [1,0,0,1,0,0|1,0,1]=4 456 B10R1.11 CCOC(=O)[C@@H]1CCCN1 MCULE-1006300490 [1,0,0,1,0,0|1,0,1]=4 457 B10R1.11 CCOC(=O)[C@@H]1CCCN1 MCULE-1035245823 [1,0,0,1,0,0|1,0,1]=4 458 B10R1.11 CCOC(=O)[C@@H]1CCCN1 MCULE-9416117855 [1,0,0,1,0,0|1,0,1]=4 459 B10R1.11 CCOC(=O)[C@@H]1CCCN1 MCULE-9593799755 [1,0,0,1,0,0|1,0,1]=4 460 B10R1.11 CCOC(=O)[C@@H]1CCNC1 MCULE-1030296291 [1,0,0,1,0,0|1,0,1]=4 461 B10R1.11 CCOC(=O)[C@@H]1CCNC1 MCULE-3397421108 [1,0,0,1,0,0|1,0,1]=4 462 B10R1.11 CCOC(=O)[C@@H]1CCNC1 MCULE-6990100207 [1,0,0,1,0,0|1,0,1]=4 463 B10R1.11 CCOC(=O)[C@@H]1CCNC1 MCULE-9366097368 [1,0,0,1,0,0|1,0,1]=4 464 B10R1.11 CCOC(=O)[C@H]1CCCN1 MCULE-2328365610 [1,0,0,1,0,0|1,0,1]=4 465 B10R1.11 CCOC(=O)[C@H]1CCCN1 MCULE-5190774028 [1,0,0,1,0,0|1,0,1]=4 466 B10R1.11 CCOC(=O)[C@H]1CCCN1 MCULE-5314111018 [1,0,0,1,0,0|1,0,1]=4 467 B10R1.11 CCOC(=O)[C@H]1CCCN1 MCULE-5778937284 [1,0,0,1,0,0|1,0,1]=4 468 B10R1.11 CCOC(=O)[C@H]1CCNC1 MCULE-6332593882 [1,0,0,1,0,0|1,0,1]=4 469 B10R1.11 CCOC(=O)[C@H]1CCNC1 MCULE-7146498882 [1,0,0,1,0,0|1,0,1]=4 470 B10R1.11 CCOC(=O)[C@H]1CCNC1 MCULE-7300719682 [1,0,0,1,0,0|1,0,1]=4 471 B10R1.11 CCOC(=O)[C@H]1CCNC1 MCULE-9965557527 [1,0,0,1,0,0|1,0,1]=4 472 B10R1.11 COCC(=O)C1CCCC1 MCULE-3230477016 [1,0,0,1,0,0|1,0,1]=4 473 B10R1.11 N#CCC(=O)C1CCCC1 MCULE-9734422429 [1,0,0,1,0,0|1,0,1]=4 474 B10R1.11 O=C(OCCl)C1CCCC1 MCULE-8357474598 [1,0,0,1,0,0|1,0,0]=3 475 B10R1.11 O=C(OCCl)N1CCCC1 MCULE-8634733063 [1,0,0,1,0,0|2,0,0]=4 476 B10R1.19 C=CN1CCCCCC1=O MCULE-4648583346 [1,0,0,1,0,0|1,0,0]=3 477 B10R1.19 CCC1CCCCCC1=O MCULE-8032779658 [1,0,0,1,0,0|0,0,2]=4 478 B10R1.19 N#CC1CCCCCC1=O MCULE-1907886746 [1,0,0,1,0,0|1,0,1]=4 479 B10R1.19 O=C1CCCCCC1=C[O-] MCULE-4278440378 [1,0,0,1,0,0|1,0,1]=4 480 B10R1.19 O=C1CCCCCC1=C[O-] MCULE-9636385402 [1,0,0,1,0,0|1,0,1]=4 481 B10R1.19 O=C1CCCCCN1CO MCULE-8622356666 [1,0,0,1,0,0|2,0,0]=4 482 B10R1.21 CCCCCC1=CC=CO1 MCULE-7495475438 [1,0,0,1,0,0|1,0,0]=3 483 B10R1.21 CCCCCC1=CC=CS1 MCULE-5834588939 [1,0,0,1,0,0|0,1,1]=4 484 B10R1.21 CCCNCC1=CC=CO1 MCULE-6122894463 [1,0,0,1,0,0|2,0,0]=4 485 B10R1.21 CCCNCC1=CC=CO1 MCULE-8770938830 [1,0,0,1,0,0|2,0,0]=4 486 B10R1.21 CNCCCC1=CC=CO1 MCULE-7583228791 [1,0,0,1,0,0|2,0,0]=4 487 B10R1.25 CCC1CNC(=O)CC1=O MCULE-1470997152 [1,0,0,1,0,0|2,0,0]=4 488 B10R1.25 CCN1CCC(=O)CC1=O MCULE-6760700486 [1,0,0,1,0,0|2,0,0]=4 489 B10R1.29 CCCCC1=CCCC1=O MCULE-3298793962 [1,0,0,1,0,0|0,0,2]=4 490 B10R1.29 CCCCC1CCCC1=O MCULE-7853231747 [1,0,0,1,0,0|0,0,2]=4 491 B10R1.29 NCCCC1CCOC1=O MCULE-4266690176 [1,0,0,1,0,0|1,0,1]=4 492 B10R1.29 NCCCC1CCOC1=O MCULE-9834041839 [1,0,0,1,0,0|1,0,1]=4 493 B10R1.77 O=C1CCCCCC(=O)C1 MCULE-5507646577 [1,0,0,1,0,0|1,0,0]=3 494 B10R1.77 O=C1CCCCCC(=O)O1 MCULE-4901663442 [1,0,0,1,0,0|1,0,0]=3 495 B10R1.78 O=C1CCCCCCCC1 MCULE-1205201333 [1,0,0,1,0,0|0,0,2]=4 496 B10R1.78 O=C1CCCCCCCN1 MCULE-2754830482 [1,0,0,1,0,0|1,0,1]=4 497 B10R1.78 O=C1CCCCCCCO1 MCULE-8839309567 [1,0,0,1,0,0|0,0,1]=3 498 B10R1.85 C=CCC1CCCCCC1 MCULE-7344516120 [1,0,0,1,0,0|1,0,1]=4 499 B10R1.130 CCCC1=C(OC(=O)C1)O MCULE-2182437649 [1,0,0,1,0,0|1,0,1]=4 500 B10R1.130 CCCC1NC(=O)OC1=O MCULE-7525289732 [1,0,0,1,0,0|2,0,0]=4 501 B10R1.130 CCC[C@@H]1NC(=O)OC1=O MCULE-7186217014 [1,0,0,1,0,0|2,0,0]=4 502 B10R1.130 CCC[C@H]1NC(=O)OC1=O MCULE-7770718428 [1,0,0,1,0,0|2,0,0]=4 503 B10R1.135 CCOC(=O)C1CC1CBr MCULE-6084968129 [1,0,0,1,0,0|1,0,1]=4 504 B10R1.135 CCOC(=O)C1CC1CO MCULE-5409175813 [1,0,0,1,0,0|1,0,1]=4 505 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1CO MCULE-5599332272 [1,0,0,1,0,0|1,0,1]=4 506 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1CC MCULE-8044030961 [1,0,0,1,0,0|0,0,1]=3 507 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1CO MCULE-4890993826 [1,0,0,1,0,0|1,0,1]=4 508 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CN MCULE-1373238494 [1,0,0,1,0,0|1,0,1]=4 509 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CN MCULE-2443716725 [1,0,0,1,0,0|1,0,1]=4 510 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CN MCULE-4844887669 [1,0,0,1,0,0|1,0,1]=4 511 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CN MCULE-9541430173 [1,0,0,1,0,0|1,0,1]=4 512 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO MCULE-3086555442 [1,0,0,1,0,0|1,0,1]=4 513 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO MCULE-7050125487 [1,0,0,1,0,0|1,0,1]=4 514 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO MCULE-2707024886 [1,0,0,1,0,0|1,0,1]=4 515 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO MCULE-2769503441 [1,0,0,1,0,0|1,0,1]=4 516 B10R1.137 CCOC(=O)CC1CCC1 MCULE-3214468910 [1,0,0,1,0,0|0,0,1]=3 517 B10R1.137 CCOC(=O)CC1CCO1 MCULE-7631610817 [1,0,0,1,0,0|1,0,1]=4 518 B10R1.137 CCOC(=O)CC1CNC1 MCULE-2494284664 [1,0,0,1,0,0|1,0,1]=4 519 B10R1.137 CCOC(=O)CC1CNC1 MCULE-5393504475 [1,0,0,1,0,0|1,0,1]=4 520 B10R1.137 CCOC(=O)CC1CNC1 MCULE-9594842551 [1,0,0,1,0,0|1,0,1]=4 521 B10R1.137 CCOC(=O)CC1COC1 MCULE-4428687625 [1,0,0,1,0,0|1,0,1]=4 522 B10R1.138 CCOC(=O)CCC1CO1 MCULE-5849542527 [1,0,0,1,0,0|1,0,1]=4 523 B10R1.138 CCOC(=O)CNC1CC1 MCULE-5200789560 [1,0,0,1,0,0|1,0,1]=4 524 B10R1.197 CCC1CCCC(=O)CC1 MCULE-9268041087 [1,0,0,1,0,0|0,0,2]=4 525 B10R1.197 CCC1CCNC(=O)CC1 MCULE-8320678614 [1,0,0,1,0,0|1,0,1]=4 526 B10R1.377 C=CCC1(CCCCC1)N MCULE-1008545775 [1,0,0,1,0,0|1,0,1]=4 527 B10R1.377 C=CCC1(CCCCC1)O MCULE-2678449677 [1,0,0,1,0,0|0,0,2]=4 528 B10R1.4 C=CCC1CCCCC1=O MCULE-5192402567 [1,0,0,1,0,0|1,0,0]=3 529 B10R1.4 C=CCC1CCCOC1=O MCULE-4559726552 [1,0,0,1,0,0|2,0,0]=4 530 B10R1.17 C1(CCCCO1)OCC=C MCULE-8969392996 [1,0,0,1,0,0|0,0,2]=4 531 B10R1.161 C=CC1CCCCCCC1 MCULE-4062427042 [1,0,0,1,0,0|1,0,1]=4 532 B12R1.460 C=CCOC(=O)C1CCCC1=O MCULE-7592688201 [0,1,0,1,0,0|0,0,1]=3 533 B12R1.29 C=CCOC(=O)N1CCC(C1)O MCULE-2151150882 [0,1,0,1,0,0|1,0,0]=3 534 B12R1.29 C=CCOC(=O)N1CC[C@@H](C1)O MCULE-5191056312 [0,1,0,1,0,0|1,0,0]=3 535 B12R1.29 C=CCOC(=O)N1CC[C@H](C1)O MCULE-9403357438 [0,1,0,1,0,0|1,0,0]=3 536 B12R1.30 C=CCCC(=O)C1CCNCC1 MCULE-3314686681 [0,1,0,1,0,0|1,0,0]=3 537 B12R1.30 C=CCCC(=O)C1CCNCC1 MCULE-5792767897 [0,1,0,1,0,0|1,0,0]=3 538 B12R1.30 C=CCNC(=O)C1CCCCC1 MCULE-8944442976 [0,1,0,1,0,0|1,0,0]=3 539 B12R1.30 C=CCNC(=O)C1CCCCN1 MCULE-1658251184 [0,1,0,1,0,0|1,0,0]=3 540 B12R1.30 C=CCNC(=O)C1CCCCN1 MCULE-7650439219 [0,1,0,1,0,0|1,0,0]=3 541 B12R1.30 C=CCNC(=O)C1CCCNC1 MCULE-1451200221 [0,1,0,1,0,0|1,0,0]=3 542 B12R1.30 C=CCNC(=O)C1CCCNC1 MCULE-6518296922 [0,1,0,1,0,0|1,0,0]=3 543 B12R1.30 C=CCNC(=O)C1CCNCC1 MCULE-4273635833 [0,1,0,1,0,0|1,0,0]=3 544 B12R1.30 C=CCNC(=O)C1CCNCC1 MCULE-8647206559 [0,1,0,1,0,0|1,0,0]=3 545 B12R1.30 C=CCNC(=O)C1CCOCC1 MCULE-4787178559 [0,1,0,1,0,0|1,0,0]=3 546 B12R1.30 C=CCNC(=O)N1CCOCC1 MCULE-5200934939 [0,1,0,1,0,0|2,0,0]=4 547 B12R1.30 C=CCOC(=O)N1CCNCC1 MCULE-5160423200 [0,1,0,1,0,0|1,0,0]=3 548 B12R1.30 C=CCOC(=O)N1CCNCC1 MCULE-9285138706 [0,1,0,1,0,0|1,0,0]=3 549 B12R1.30 CCCOC(=O)C1CCCCN1 MCULE-4165315159 [0,1,0,1,0,0|0,0,2]=4 550 B12R1.30 CCCOC(=O)C1CCCCN1 MCULE-7026352123 [0,1,0,1,0,0|0,0,2]=4 551 B12R1.2022 C=CCCC(=O)C1(CCCO1)C MCULE-7942428699 [0,1,0,1,0,0|2,0,0]=4 552 B12R1.54 O=C(O)CCC(=O)C1CCCC1 MCULE-4029687060 [0,1,0,1,0,0|2,0,0]=4 553 B12R1.54 O=C(O)CNC(=O)C1CCCC1 MCULE-5901743102 [0,1,0,1,0,0|2,0,0]=4 554 B12R1.210 C=C(C)CN1CCCCCC1=O MCULE-8593964326 [0,1,0,1,0,0|1,0,0]=3 555 B12R1.210 NC(=O)CN1CCCCCC1=O MCULE-9568515179 [0,1,0,1,0,0|2,0,0]=4 556 B12R1.210 NC(=S)CN1CCCCCC1=O MCULE-8925860003 [0,1,0,1,0,0|2,0,0]=4 557 B12R1.210 O=C(O)CN1CCCCCC1=O MCULE-8200254471 [0,1,0,1,0,0|2,0,0]=4 558 B12R1.1011 O=C1CCCCCC(C1)C(=O)O MCULE-3072060660 [0,1,0,1,0,0|2,0,0]=4 559 B12R1.925 C=CCOC(=O)NC1CCC1N MCULE-4027968352 [0,1,0,1,0,0|1,0,0]=3 560 B12R1.925 C=CCOC(=O)N[C@@H]1CC[C@H]1N MCULE-7684744072 [0,1,0,1,0,0|1,0,0]=3 561 B12R1.925 C=CCOC(=O)N[C@@H]1CC[C@H]1N MCULE-9828435068 [0,1,0,1,0,0|1,0,0]=3 562 B12R1.925 C=CCOC(=O)N[C@H]1CC[C@@H]1N MCULE-5659336471 [0,1,0,1,0,0|1,0,0]=3 563 B12R1.925 C=CCOC(=O)N[C@H]1CC[C@@H]1N MCULE-9590920697 [0,1,0,1,0,0|1,0,0]=3 564 B12R1.925 [C@@H]1(CC[C@@H]1NC(=O)OCC=C)N MCULE-8814591595 [0,1,0,1,0,0|1,0,0]=3 565 B12R1.567 CCCCCC1=C(CCC1=O)C MCULE-6930955162 [0,1,0,1,0,0|1,0,1]=4 566 B12R1.28 CCCCCC1=CC=CC(=O)O1 MCULE-5618749422 [0,1,0,1,0,0|1,0,1]=4 567 B12R1.35 CCCCCC(=O)C1=CC=CO1 MCULE-9694734865 [0,1,0,1,0,0|0,0,1]=3 568 B12R1.35 CCCCCC(=O)C1=CC=CS1 MCULE-6469020340 [0,1,0,1,0,0|0,1,1]=4 569 B12R1.35 CCCCCC(=O)C1=NC=CO1 MCULE-7665437959 [0,1,0,1,0,0|1,0,1]=4 570 B12R1.895 CC(C)CCC1C(=O)CCC1=O MCULE-2697267657 [0,1,0,1,0,0|2,0,0]=4 571 B12R1.2606 C=CC[C@]1(C(=O)CCC[C@@H]1O)C MCULE-5264721978 [0,1,0,1,0,0|2,0,0]=4 572 B12R2.24 O=C1CCC2CCCCC2O1 MCULE-8264574980 [0,0,0,2,0,0|0,0,2]=4 573 B12R2.1081 O=C1CCCC2C1CC=CC2 MCULE-1897949638 [0,0,0,2,0,0|1,0,0]=3 574 B12R2.1067 O=C1NC2C1CCCCC=C2 MCULE-1040768888 [0,0,0,2,0,0|1,0,0]=3 575 B12R2.1670 NCC1OC(=O)CC12CCC2 MCULE-4797014758 [0,0,0,2,0,0|1,0,1]=4 576 B12R2.1670 NCC1OC(=O)CC12CCC2 MCULE-9225722842 [0,0,0,2,0,0|1,0,1]=4 577 B12R2.1670 O=C1CC2(CCC2)C(O1)CI MCULE-5437870941 [0,0,0,2,0,0|1,0,1]=4