0 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,0,0,0,0,0|0,0,2]=2 7 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.8 C#CCOC(C)C(=O)O MCULE-7792481116 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [0,0,0,0,0,0|1,0,3]=4 12 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [0,0,0,0,0,0|1,0,2]=3 15 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,0,0,0,0,0|0,0,2]=2 17 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,0,0,0,0,0|0,0,2]=2 18 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,0,0,0,0,0|0,0,2]=2 19 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,0,0,0,0,0|0,0,2]=2 20 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,0,0,0,0,0|0,0,2]=2 21 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,0,0,0,0,0|0,0,2]=2 22 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,0,0,0,0,0|0,0,2]=2 23 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,0,0,0,0,0|0,0,2]=2 24 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,0,0,0,0,0|0,0,2]=2 27 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,0,0,0,0,0|0,0,2]=2 28 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,0,0,0,0,0|0,0,2]=2 29 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,0,0,0,0,0|0,0,2]=2 30 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,0,0,0,0,0|0,0,2]=2 31 B8R0.8 CC(=O)C(C)CCC#N MCULE-1571826766 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,0,0,0,0,0|2,0,0]=2 33 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,0,0,0,0,0|3,0,0]=3 34 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,0,0,0,0,0|1,0,2]=3 37 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,0,0,0,0,0|1,0,2]=3 38 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,0,0,0,0,0|1,0,1]=2 40 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,0,0,0,0,0|1,0,2]=3 41 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,0,0,0,0,0|1,0,0]=1 43 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,0,0,0,0,0|2,0,0]=2 44 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,0,0,0,0,0|2,0,0]=2 45 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,0,0,0,0,0|2,0,0]=2 46 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,0,0,0,0,0|1,0,0]=1 47 B8R0.8 CCCCC(C)C(C)C MCULE-8506374473 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.8 CCCCC(C)C(C)O MCULE-2881990446 [0,0,0,0,0,0|2,0,1]=3 49 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,0,0,0,0,0|1,0,0]=1 50 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,0,0,0,0,0|1,0,0]=1 51 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,0,0,0,0,0|1,0,0]=1 52 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,0,0,0,0,0|0,0,0]=0 53 B8R0.8 CCCCC(N)C(C)O MCULE-3645367149 [0,0,0,0,0,0|1,0,1]=2 54 B8R0.8 CCCCC(N)C(C)O MCULE-4512291097 [0,0,0,0,0,0|1,0,1]=2 55 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,0,0,0,0,0|2,0,0]=2 56 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,0,0,0,0,0|1,0,0]=1 57 B8R0.8 CCCCC(O)C(C)C MCULE-3997068945 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [0,0,0,0,0,0|3,0,0]=3 59 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,0,0,0,0,0|1,0,0]=1 60 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,0,0,0,0,0|0,0,0]=0 61 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,0,0,0,0,0|0,0,0]=0 62 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,0,0,0,0,0|1,0,0]=1 63 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,0,0,0,0,0|1,0,0]=1 64 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,0,0,0,0,0|1,0,0]=1 65 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,0,0,0,0,0|1,0,0]=1 66 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,0,0,0,0,0|1,0,0]=1 67 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,0,0,0,0,0|1,0,0]=1 68 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,0,0,0,0,0|0,0,0]=0 69 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,0,0,0,0,0|0,0,0]=0 70 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,0,0,0,0,0|2,0,1]=3 71 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,0,0,0,0,0|2,0,0]=2 72 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,0,0,0,0,0|2,0,0]=2 73 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,0,0,0,0,0|2,0,0]=2 74 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,0,0,0,0,0|2,0,0]=2 75 B8R0.8 CCOCC(N)C(C)C MCULE-6644223666 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.8 CCOCC(N)C(C)C MCULE-7204690887 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,0,0,0,0,0|1,0,0]=1 78 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,0,0,0,0,0|1,0,0]=1 79 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,0,0,0,0,0|1,0,0]=1 80 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,0,0,0,0,0|1,0,0]=1 81 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,0,0,0,0,0|1,0,0]=1 82 B8R0.8 CNCCN(C)C(=O)C MCULE-7429681700 [0,0,0,0,0,0|4,0,0]=4 83 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,0,0,0,0,0|2,0,0]=2 84 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,0,0,0,0,0|2,0,0]=2 85 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,0,0,0,0,0|2,0,0]=2 86 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,0,0,0,0,0|1,0,0]=1 87 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,0,0,0,0,0|1,0,0]=1 88 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,0,0,0,0,0|1,0,0]=1 89 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,0,0,0,0,0|2,0,1]=3 90 B8R0.8 CSCCC(=O)C(=O)[O-] MCULE-4931776455 [0,0,0,0,0,0|2,0,2]=4 91 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,0,0,0,0,0|2,0,0]=2 92 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,0,0,0,0,0|2,0,0]=2 93 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,0,0,0,0,0|2,0,0]=2 94 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,0,0,0,0,0|2,0,0]=2 95 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,0,0,0,0,0|1,0,0]=1 96 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [0,0,0,0,0,0|3,0,0]=3 97 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,0,0,0,0,0|2,0,0]=2 98 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,0,0,0,0,0|1,0,0]=1 99 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,0,0,0,0,0|1,0,0]=1 100 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,0,0,0,0,0|1,0,1]=2 101 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,0,0,0,0,0|1,0,1]=2 102 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,0,0,0,0,0|2,0,0]=2 103 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,0,0,0,0,0|2,0,0]=2 104 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,0,0,0,0,0|2,0,0]=2 105 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,0,0,0,0,0|2,0,0]=2 106 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,0,0,0,0,0|1,0,0]=1 107 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,0,0,0,0,0|1,0,0]=1 108 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,0,0,0,0,0|1,0,0]=1 109 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,0,0,0,0,0|1,0,0]=1 110 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,0,0,0,0,0|1,0,0]=1 111 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,0,0,0,0,0|1,0,0]=1 112 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,0,0,0,0,0|1,0,0]=1 113 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,0,0,0,0,0|1,0,0]=1 114 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,0,0,0,0,0|1,0,0]=1 115 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,0,0,0,0,0|1,0,0]=1 116 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,0,0,0,0,0|1,0,0]=1 117 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,0,0,0,0,0|1,0,0]=1 118 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,0,0,0,0,0|1,0,0]=1 119 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,0,0,0,0,0|1,0,0]=1 120 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,0,0,0,0,0|1,0,0]=1 121 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,0,0,0,0,0|1,0,0]=1 122 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,0,0,0,0,0|1,0,0]=1 123 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,0,0,0,0,0|1,0,0]=1 124 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,0,0,0,0,0|1,0,0]=1 125 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,0,0,0,0,0|1,0,0]=1 126 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,0,0,0,0,0|1,0,0]=1 127 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,0,0,0,0,0|1,0,0]=1 128 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,0,0,0,0,0|1,0,0]=1 129 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,0,0,0,0,0|2,0,0]=2 130 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,0,0,0,0,0|2,0,0]=2 131 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,0,0,0,0,0|2,0,0]=2 132 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,0,0,0,0,0|2,0,0]=2 133 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,0,0,0,0,0|1,0,0]=1 134 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,0,0,0,0,0|1,0,0]=1 135 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,0,0,0,0,0|2,0,0]=2 136 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [0,0,0,0,0,0|2,0,1]=3 137 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,0,0,0,0,0|0,0,2]=2 138 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,0,0,0,0,0|2,0,0]=2 139 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [0,0,0,0,0,0|3,0,0]=3 140 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [0,0,0,0,0,0|3,0,0]=3 141 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [0,0,0,0,0,0|3,0,0]=3 142 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [0,0,0,0,0,0|3,0,0]=3 143 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [0,0,0,0,0,0|3,0,0]=3 144 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [0,0,0,0,0,0|3,0,0]=3 145 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [0,0,0,0,0,0|3,0,0]=3 146 B8R0.8 [N-]=[N+]=NC[C@H](O)C(=O)O MCULE-8751271425 [0,0,0,0,0,0|4,0,0]=4 147 B7R0.3 C#CC(O)CCCC MCULE-8547184224 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.3 C#CCC[C@@H](N)CO MCULE-6761945465 [1,0,0,0,0,0|0,0,3]=4 149 B7R0.3 C#CCC[C@@H](N)CO MCULE-9589288760 [1,0,0,0,0,0|0,0,3]=4 150 B7R0.3 C#CCC[C@H](N)CO MCULE-5308019604 [1,0,0,0,0,0|0,0,3]=4 151 B7R0.3 C#CCC[C@H](N)CO MCULE-7191637286 [1,0,0,0,0,0|0,0,3]=4 152 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,0,0,0,0,0|1,0,1]=3 153 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [1,0,0,0,0,0|2,0,0]=3 154 B7R0.3 C=CCCC(N)CO MCULE-2658614123 [1,0,0,0,0,0|0,0,3]=4 155 B7R0.3 CC#CCC(N)CO MCULE-1082443924 [1,0,0,0,0,0|0,0,3]=4 156 B7R0.3 CC(C=O)CCC#N MCULE-6355316754 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.3 CC(CO)CCCO MCULE-8589885622 [1,0,0,0,0,0|2,0,1]=4 158 B7R0.3 CCC(N)CCCO MCULE-3868205501 [1,0,0,0,0,0|2,0,1]=4 159 B7R0.3 CCC(N)CCOC MCULE-8279767210 [1,0,0,0,0,0|2,0,1]=4 160 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [1,0,0,0,0,0|1,0,1]=3 161 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.3 CCCCC(Br)CBr MCULE-9142273359 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.3 CCCCC(Br)CC MCULE-3813549657 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.3 CCCCC(C)CC MCULE-9471981954 [1,0,0,0,0,0|2,0,1]=4 165 B7R0.3 CCCCC(C)NC MCULE-7492621121 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.3 CCCCC(Cl)C#N MCULE-3338809987 [1,0,0,0,0,0|2,0,1]=4 167 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [1,0,0,0,0,0|1,0,0]=2 168 B7R0.3 CCCCC(Cl)CCl MCULE-6681580076 [1,0,0,0,0,0|2,0,1]=4 169 B7R0.3 CCCCC(N)CC MCULE-1353863738 [1,0,0,0,0,0|1,0,1]=3 170 B7R0.3 CCCCC(N)CC MCULE-9870475040 [1,0,0,0,0,0|1,0,1]=3 171 B7R0.3 CCCCC(N)CN MCULE-2038464943 [1,0,0,0,0,0|1,0,1]=3 172 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,0,0,0,0,0|0,0,1]=2 173 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,0,0,0,0,0|0,0,1]=2 174 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,0,0,0,0,0|0,0,1]=2 175 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,0,0,0,0,0|0,0,1]=2 176 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.3 CCCCC(O)CC MCULE-3912386534 [1,0,0,0,0,0|2,0,1]=4 178 B7R0.3 CCCCC(O)CN MCULE-1383380728 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.3 CCCCC(O)CO MCULE-6903923961 [1,0,0,0,0,0|1,0,1]=3 180 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,0,0,0,0,0|0,0,1]=2 181 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,0,0,0,0,0|0,0,1]=2 182 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,0,0,0,0,0|0,0,1]=2 183 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,0,0,0,0,0|0,0,1]=2 184 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [1,0,0,0,0,0|1,0,0]=2 185 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,0,0,0,0,0|0,0,1]=2 186 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,0,0,0,0,0|0,0,1]=2 187 B7R0.3 CCCNC(C)CO MCULE-6575712324 [1,0,0,0,0,0|2,0,1]=4 188 B7R0.3 CCNCC(N)NC MCULE-1380874674 [1,0,0,0,0,0|3,0,0]=4 189 B7R0.3 CCOCC(C)CO MCULE-6831759423 [1,0,0,0,0,0|2,0,1]=4 190 B7R0.3 CCOCC(N)CC MCULE-2793834769 [1,0,0,0,0,0|2,0,1]=4 191 B7R0.3 CCOCC(N)CC MCULE-5142543434 [1,0,0,0,0,0|2,0,1]=4 192 B7R0.3 CCOCC(N)CO MCULE-8546500751 [1,0,0,0,0,0|1,0,1]=3 193 B7R0.3 CCOCC(O)CO MCULE-2728952355 [1,0,0,0,0,0|2,0,1]=4 194 B7R0.3 CNCC/C(=N/O)/N MCULE-5663392892 [1,0,0,0,0,0|2,0,1]=4 195 B7R0.3 CNCC/C(=N/O)/N MCULE-9276854772 [1,0,0,0,0,0|2,0,1]=4 196 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [1,0,0,0,0,0|2,0,1]=4 197 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [1,0,0,0,0,0|2,0,1]=4 198 B7R0.3 COCCC(N)CO MCULE-9758817920 [1,0,0,0,0,0|1,0,1]=3 199 B7R0.3 CSCCC(N)CO MCULE-1688371230 [1,0,0,0,0,0|1,0,1]=3 200 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [1,0,0,0,0,0|1,0,1]=3 201 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [1,0,0,0,0,0|1,0,1]=3 202 B7R0.3 CSCC[C@H](N)CN MCULE-6460179286 [1,0,0,0,0,0|2,0,1]=4 203 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [1,0,0,0,0,0|1,0,1]=3 204 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [1,0,0,0,0,0|1,0,1]=3 205 B7R0.3 OCCCC(O)CO MCULE-3529953491 [1,0,0,0,0,0|2,0,1]=4 206 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [1,0,0,0,0,0|1,0,2]=4 207 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [1,0,0,0,0,0|1,0,2]=4 208 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [1,0,0,0,0,0|1,0,2]=4 209 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,0,0,0,0,0|0,0,2]=3 210 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,0,0,0,0,0|1,0,2]=4 211 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,0,0,0,0,0|1,0,2]=4 212 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,0,0,0,0,0|1,0,2]=4 213 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,0,0,0,0,0|1,0,2]=4 214 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,0,0,0,0,0|0,0,2]=3 215 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,0,0,0,0,0|0,0,2]=3 216 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [1,0,0,0,0,0|2,0,0]=3 217 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [1,0,0,0,0,0|2,0,0]=3 218 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [1,0,0,0,0,0|2,0,0]=3 219 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,0,0,0,0,0|0,0,3]=4 220 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,0,0,0,0,0|1,0,2]=4 221 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,0,0,0,0,0|0,0,2]=3 222 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,0,0,0,0,0|1,0,2]=4 223 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,0,0,0,0,0|1,0,2]=4 224 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,0,0,0,0,0|1,0,2]=4 225 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,0,0,0,0,0|1,0,2]=4 226 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,0,0,0,0,0|0,0,2]=3 227 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [1,0,0,0,0,0|2,0,1]=4 228 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,0,0,0,0,0|2,0,0]=3 229 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,0,0,0,0,0|2,0,0]=3 230 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,0,0,0,0,0|2,0,0]=3 231 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [1,0,0,0,0,0|3,0,0]=4 232 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [1,0,0,0,0,0|3,0,0]=4 233 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [1,0,0,0,0,0|3,0,0]=4 234 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [1,0,0,0,0,0|3,0,0]=4 235 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [1,0,0,0,0,0|3,0,0]=4 236 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,0,0,0,0,0|3,0,0]=4 237 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [1,0,0,0,0,0|3,0,0]=4 238 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [1,0,0,0,0,0|3,0,0]=4 239 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [1,0,0,0,0,0|3,0,0]=4 240 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,0,0,0,0,0|3,0,0]=4 241 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [1,0,0,0,0,0|3,0,0]=4 242 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [1,0,0,0,0,0|3,0,0]=4 243 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [1,0,0,0,0,0|3,0,0]=4 244 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,0,0,0,0,0|3,0,0]=4 245 B7R0.4 CC(O)CCCCO MCULE-3790969400 [1,0,0,0,0,0|2,0,1]=4 246 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,0,0,0,0,0|0,0,2]=3 247 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [1,0,0,0,0,0|1,0,2]=4 248 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,0,0,0,0,0|0,0,2]=3 249 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,0,0,0,0,0|0,0,2]=3 250 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [1,0,0,0,0,0|1,0,2]=4 251 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [1,0,0,0,0,0|1,0,2]=4 252 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,0,0,0,0,0|0,0,2]=3 253 B7R0.4 CCCCCB(O)O MCULE-3441747739 [1,0,0,0,0,0|1,0,1]=3 254 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [1,0,0,0,0,0|2,0,0]=3 255 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [1,0,0,0,0,0|2,0,0]=3 256 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,0,0,0,0,0|1,0,0]=2 257 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,0,0,0,0,0|1,0,0]=2 258 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,0,0,0,0,0|1,0,0]=2 259 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,0,0,0,0,0|0,0,0]=1 260 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,0,0,0,0,0|0,0,1]=2 261 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,0,0,0,0,0|0,0,1]=2 262 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [1,0,0,0,0,0|1,1,0]=3 263 B7R0.4 CCCCCC(C)Br MCULE-4688847972 [1,0,0,0,0,0|2,0,1]=4 264 B7R0.4 CCCCCC(C)C MCULE-9815158757 [1,0,0,0,0,0|2,0,1]=4 265 B7R0.4 CCCCCC(C)Cl MCULE-1461261404 [1,0,0,0,0,0|2,0,1]=4 266 B7R0.4 CCCCCC(C)N MCULE-1307982487 [1,0,0,0,0,0|2,0,1]=4 267 B7R0.4 CCCCCC(C)N MCULE-8625441795 [1,0,0,0,0,0|2,0,1]=4 268 B7R0.4 CCCCCC(C)N MCULE-9791654909 [1,0,0,0,0,0|2,0,1]=4 269 B7R0.4 CCCCCC(C)O MCULE-2463855771 [1,0,0,0,0,0|1,0,1]=3 270 B7R0.4 CCCCCC(C)S MCULE-3173115736 [1,0,0,0,0,0|1,1,1]=4 271 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [1,0,0,0,0,0|1,0,1]=3 272 B7R0.4 CCCCCP(Cl)Cl MCULE-9695212092 [1,0,0,0,0,0|3,0,0]=4 273 B7R0.4 CCCCC[C@@H](C)N MCULE-2460238945 [1,0,0,0,0,0|2,0,1]=4 274 B7R0.4 CCCCC[C@@H](C)N MCULE-6386771130 [1,0,0,0,0,0|2,0,1]=4 275 B7R0.4 CCCCC[C@@H](C)N MCULE-6470246577 [1,0,0,0,0,0|2,0,1]=4 276 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [1,0,0,0,0,0|1,0,1]=3 277 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [1,0,0,0,0,0|1,0,1]=3 278 B7R0.4 CCCCC[C@H](C)N MCULE-8119988811 [1,0,0,0,0,0|2,0,1]=4 279 B7R0.4 CCCCC[C@H](C)N MCULE-9987283826 [1,0,0,0,0,0|2,0,1]=4 280 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [1,0,0,0,0,0|1,0,1]=3 281 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [1,0,0,0,0,0|1,0,1]=3 282 B7R0.4 CCCCNC(=N)N MCULE-4548909930 [1,0,0,0,0,0|3,0,0]=4 283 B7R0.4 CCCCNC(=N)N MCULE-4773969181 [1,0,0,0,0,0|3,0,0]=4 284 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,0,0,0,0,0|2,0,0]=3 285 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [1,0,0,0,0,0|2,0,0]=3 286 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,0,0,0,0,0|2,0,0]=3 287 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [1,0,0,0,0,0|2,1,0]=4 288 B7R0.4 CCCCNN(=O)=O MCULE-2055512271 [1,0,0,0,0,0|2,0,1]=4 289 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,0,0,0,0,0|2,0,0]=3 290 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,0,0,0,0,0|2,0,0]=3 291 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,0,0,0,0,0|2,0,0]=3 292 B7R0.4 CCCCOC(=S)[S-] MCULE-2197583773 [1,0,0,0,0,0|1,2,0]=4 293 B7R0.4 CCCCOC(=S)[S-] MCULE-3219674247 [1,0,0,0,0,0|1,2,0]=4 294 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [1,0,0,0,0,0|2,0,1]=4 295 B7R0.4 CCCCSC(=N)N MCULE-1202813594 [1,0,0,0,0,0|3,0,0]=4 296 B7R0.4 CCCCSC(=N)N MCULE-6798856505 [1,0,0,0,0,0|3,0,0]=4 297 B7R0.4 CCCCSC(=N)N MCULE-8701506154 [1,0,0,0,0,0|3,0,0]=4 298 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,0,0,0,0,0|2,0,0]=3 299 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [1,0,0,0,0,0|2,0,0]=3 300 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,0,0,0,0,0|2,0,0]=3 301 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,0,0,0,0,0|2,0,0]=3 302 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,0,0,0,0,0|1,0,0]=2 303 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,0,0,0,0,0|1,0,0]=2 304 B7R0.4 CCCNCC(C)O MCULE-8110237473 [1,0,0,0,0,0|2,0,1]=4 305 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,0,0,0,0,0|1,0,0]=2 306 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [1,0,0,0,0,0|2,1,0]=4 307 B7R0.4 CCCOCC(C)O MCULE-9214840563 [1,0,0,0,0,0|2,0,1]=4 308 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,0,0,0,0,0|2,0,0]=3 309 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,0,0,0,0,0|1,0,0]=2 310 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,0,0,0,0,0|2,0,0]=3 311 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,0,0,0,0,0|2,0,0]=3 312 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,0,0,0,0,0|1,0,0]=2 313 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,0,0,0,0,0|1,0,0]=2 314 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [1,0,0,0,0,0|1,0,2]=4 315 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [1,0,0,0,0,0|1,0,2]=4 316 B7R0.4 CCOCCC(=N)N MCULE-4926091113 [1,0,0,0,0,0|3,0,0]=4 317 B7R0.4 CCOCCC(=N)N MCULE-8590303415 [1,0,0,0,0,0|3,0,0]=4 318 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,0,0,0,0,0|2,0,0]=3 319 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [1,0,0,0,0,0|2,0,0]=3 320 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,0,0,0,0,0|1,0,0]=2 321 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [1,0,0,0,0,0|3,0,0]=4 322 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,0,0,0,0,0|1,0,0]=2 323 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,0,0,0,0,0|2,0,0]=3 324 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,0,0,0,0,0|2,0,0]=3 325 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,0,0,0,0,0|1,0,0]=2 326 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,0,0,0,0,0|1,0,0]=2 327 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,0,0,0,0,0|3,0,0]=4 328 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,0,0,0,0,0|3,0,0]=4 329 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [1,0,0,0,0,0|3,0,0]=4 330 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [1,0,0,0,0,0|3,0,0]=4 331 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [1,0,0,0,0,0|1,0,2]=4 332 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [1,0,0,0,0,0|1,0,2]=4 333 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [1,0,0,0,0,0|1,0,2]=4 334 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,0,0,0,0,0|2,0,0]=3 335 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,0,0,0,0,0|1,0,0]=2 336 B7R0.4 COCCCC(=S)N MCULE-5066867181 [1,0,0,0,0,0|2,1,0]=4 337 B7R0.4 COCCCC(C)O MCULE-4190294636 [1,0,0,0,0,0|2,0,1]=4 338 B7R0.4 COCCNC(=O)C MCULE-2794263612 [1,0,0,0,0,0|3,0,0]=4 339 B7R0.4 COCCNC(=O)N MCULE-1380726553 [1,0,0,0,0,0|3,0,0]=4 340 B7R0.4 COCCOC(=O)C MCULE-3221264060 [1,0,0,0,0,0|3,0,0]=4 341 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [1,0,0,0,0,0|3,0,0]=4 342 B7R0.4 COCCOC(=O)N MCULE-3401505850 [1,0,0,0,0,0|3,0,0]=4 343 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,0,0,0,0,0|1,0,2]=4 344 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,0,0,0,0,0|1,0,0]=2 345 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,0,0,0,0,0|3,0,0]=4 346 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [1,0,0,0,0,0|3,0,0]=4 347 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [1,0,0,0,0,0|3,0,0]=4 348 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,0,0,0,0,0|2,0,0]=3 349 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,0,0,0,0,0|1,0,1]=3 350 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,0,0,0,0,0|2,0,1]=4 351 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,0,0,0,0,0|3,0,0]=4 352 B7R0.4 N=C(N)CCCCCl MCULE-4352194585 [1,0,0,0,0,0|3,0,0]=4 353 B7R0.4 N=C(N)CCCCCl MCULE-5262170460 [1,0,0,0,0,0|3,0,0]=4 354 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,0,0,0,0,0|2,0,0]=3 355 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,0,0,0,0,0|2,0,0]=3 356 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,0,0,0,0,0|2,0,0]=3 357 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [1,0,0,0,0,0|3,0,0]=4 358 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,0,0,0,0,0|3,0,0]=4 359 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,0,0,0,0,0|3,0,0]=4 360 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,0,0,0,0,0|3,0,0]=4 361 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,0,0,0,0,0|2,0,0]=3 362 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,0,0,0,0,0|2,0,0]=3 363 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,0,0,0,0,0|1,0,0]=2 364 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,0,0,0,0,0|1,0,0]=2 365 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,0,0,0,0,0|1,0,0]=2 366 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,0,0,0,0,0|1,0,0]=2 367 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [1,0,0,0,0,0|3,0,0]=4 368 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [1,0,0,0,0,0|3,0,0]=4 369 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [1,0,0,0,0,0|3,0,0]=4 370 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,0,0,0,0,0|2,0,0]=3 371 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,0,0,0,0,0|2,0,0]=3 372 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,0,0,0,0,0|2,0,0]=3 373 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,0,0,0,0,0|2,0,0]=3 374 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,0,0,0,0,0|2,0,0]=3 375 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,0,0,0,0,0|2,0,0]=3 376 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,0,0,0,0,0|2,0,0]=3 377 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,0,0,0,0,0|2,0,0]=3 378 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,0,0,0,0,0|2,0,0]=3 379 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,0,0,0,0,0|2,0,0]=3 380 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,0,0,0,0,0|2,0,0]=3 381 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [1,0,0,0,0,0|3,0,0]=4 382 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [1,0,0,0,0,0|3,0,0]=4 383 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [1,0,0,0,0,0|3,0,0]=4 384 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [1,0,0,0,0,0|1,0,2]=4 385 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,0,0,0,0,0|1,0,2]=4 386 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,0,0,0,0,0|1,0,0]=2 387 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,0,0,0,0,0|1,0,0]=2 388 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,0,0,0,0,0|1,0,0]=2 389 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,0,0,0,0,0|1,0,0]=2 390 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,0,0,0,0,0|2,0,0]=3 391 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,0,0,0,0,0|2,0,0]=3 392 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,0,0,0,0,0|2,0,0]=3 393 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,0,0,0,0,0|2,0,0]=3 394 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,0,0,0,0,0|2,0,0]=3 395 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,0,0,0,0,0|2,0,0]=3 396 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,0,0,0,0,0|2,0,0]=3 397 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,0,0,0,0,0|1,0,1]=3 398 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,0,0,0,0,0|1,0,1]=3 400 B7R0.4 O=N(=O)CCCCBr MCULE-8310183286 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.4 O=N(=O)CCCCCl MCULE-9069384470 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [1,0,0,0,0,0|2,0,1]=4 403 B7R0.4 OB(O)CCCCBr MCULE-3231135677 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [1,0,0,0,0,0|1,0,2]=4 405 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [1,0,0,0,0,0|1,0,2]=4 406 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [1,0,0,0,0,0|0,0,2]=3 407 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [1,0,0,0,0,0|0,0,2]=3 408 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [1,0,0,0,0,0|0,0,2]=3 409 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [1,0,0,0,0,0|0,0,2]=3 410 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,0,0,0,0,0|1,0,2]=4 411 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [1,0,0,0,0,0|0,0,2]=3 412 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [1,0,0,0,0,0|0,0,2]=3 413 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [1,0,0,0,0,0|0,0,2]=3 414 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [1,0,0,0,0,0|0,0,2]=3 415 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [1,0,0,0,0,0|0,0,2]=3 416 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [1,0,0,0,0,0|0,0,2]=3 417 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [1,0,0,0,0,0|0,0,2]=3 418 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [1,0,0,0,0,0|0,0,2]=3 419 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,0,0,0,0,0|1,0,1]=3 420 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,0,0,0,0,0|2,0,1]=4 421 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [1,0,0,0,0,0|2,0,1]=4 422 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,0,0,0,0,0|1,0,2]=4 423 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,0,0,0,0,0|0,0,2]=3 424 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,0,0,0,0,0|0,0,2]=3 425 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,0,0,0,0,0|0,0,2]=3 426 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,0,0,0,0,0|0,0,2]=3 427 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,0,0,0,0,0|1,0,2]=4 428 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,0,0,0,0,0|0,0,2]=3 429 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,0,0,0,0,0|0,0,2]=3 430 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,0,0,0,0,0|0,0,2]=3 431 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,0,0,0,0,0|0,0,2]=3 432 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,0,0,0,0,0|1,0,2]=4 433 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,0,0,0,0,0|0,0,2]=3 434 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,0,0,0,0,0|0,0,2]=3 435 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,0,0,0,0,0|0,0,2]=3 436 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,0,0,0,0,0|0,0,2]=3 437 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,0,0,0,0,0|1,0,2]=4 438 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [1,0,0,0,0,0|3,0,0]=4 439 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [1,0,0,0,0,0|3,0,0]=4 440 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,0,0,0,0,0|3,0,0]=4 441 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [1,0,0,0,0,0|3,0,0]=4 442 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,0,0,0,0,0|3,0,0]=4 443 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [1,0,0,0,0,0|3,0,0]=4 444 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,0,0,0,0,0|2,0,0]=3 445 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,0,0,0,0,0|2,0,0]=3 446 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,0,0,0,0,0|3,0,0]=4 447 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,0,0,0,0,0|2,0,0]=3 448 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,0,0,0,0,0|2,0,1]=4 449 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,0,0,0,0,0|1,0,2]=4 450 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,0,0,0,0,0|1,0,2]=4 451 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,0,0,0,0,0|1,0,2]=4 452 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,0,0,0,0,0|1,0,2]=4 453 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [1,0,0,0,0,0|1,0,2]=4 454 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [1,0,0,0,0,0|2,0,1]=4 455 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [1,0,0,0,0,0|2,0,1]=4 456 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,0,0,0,0,0|1,0,1]=3 457 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [1,0,0,0,0,0|2,0,0]=3 458 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,0,0,0,0,0|1,0,0]=2 459 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,0,0,0,0,0|2,0,0]=3 460 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,0,0,0,0,0|2,0,0]=3 461 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,0,0,0,0,0|2,0,0]=3 462 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,0,0,0,0,0|1,0,0]=2 463 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [1,0,0,0,0,0|2,0,1]=4 464 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,0,0,0,0,0|1,0,0]=2 465 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,0,0,0,0,0|1,0,0]=2 466 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,0,0,0,0,0|1,0,0]=2 467 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,0,0,0,0,0|1,0,0]=2 468 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,0,0,0,0,0|0,0,0]=1 469 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,0,0,0,0,0|0,0,0]=1 470 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,0,0,0,0,0|0,0,0]=1 471 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,0,0,0,0,0|2,0,0]=3 472 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,0,0,0,0,0|1,0,0]=2 473 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,0,0,0,0,0|1,0,0]=2 474 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [1,0,0,0,0,0|3,0,0]=4 475 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,0,0,0,0,0|0,0,0]=1 476 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,0,0,0,0,0|0,0,0]=1 477 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,0,0,0,0,0|1,0,0]=2 478 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,0,0,0,0,0|1,0,0]=2 479 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,0,0,0,0,0|1,0,0]=2 480 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,0,0,0,0,0|1,0,0]=2 481 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,0,0,0,0,0|1,0,0]=2 482 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,0,0,0,0,0|1,0,0]=2 483 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,0,0,0,0,0|0,0,0]=1 484 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,0,0,0,0,0|0,0,0]=1 485 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,0,0,0,0,0|0,0,0]=1 486 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,0,0,0,0,0|1,0,0]=2 487 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,0,0,0,0,0|1,0,0]=2 488 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [1,0,0,0,0,0|2,0,1]=4 489 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [1,0,0,0,0,0|3,0,0]=4 490 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [1,0,0,0,0,0|3,0,0]=4 491 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,0,0,0,0,0|2,0,0]=3 492 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,0,0,0,0,0|2,0,0]=3 493 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,0,0,0,0,0|2,0,0]=3 494 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [1,0,0,0,0,0|2,0,1]=4 495 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,0,0,0,0,0|2,0,0]=3 496 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,0,0,0,0,0|2,0,0]=3 497 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,0,0,0,0,0|2,0,0]=3 498 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,0,0,0,0,0|2,0,0]=3 499 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,0,0,0,0,0|1,0,0]=2 500 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,0,0,0,0,0|1,0,0]=2 501 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,0,0,0,0,0|1,0,0]=2 502 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,0,0,0,0,0|1,0,0]=2 503 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,0,0,0,0,0|1,0,0]=2 504 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,0,0,0,0,0|1,0,0]=2 505 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,0,0,0,0,0|2,0,0]=3 506 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [1,0,0,0,0,0|3,0,0]=4 507 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,0,0,0,0,0|2,0,0]=3 508 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,0,0,0,0,0|2,0,0]=3 509 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [1,0,0,0,0,0|2,0,0]=3 510 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [1,0,0,0,0,0|2,0,0]=3 511 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,0,0,0,0,0|1,0,0]=2 512 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,0,0,0,0,0|1,0,0]=2 513 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,0,0,0,0,0|1,0,0]=2 514 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,0,0,0,0,0|1,0,0]=2 515 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,0,0,0,0,0|2,0,0]=3 516 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,0,0,0,0,0|1,0,0]=2 517 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,0,0,0,0,0|1,0,0]=2 518 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,0,0,0,0,0|1,0,0]=2 519 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,0,0,0,0,0|1,0,0]=2 520 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,0,0,0,0,0|1,0,0]=2 521 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,0,0,0,0,0|1,0,0]=2 522 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,0,0,0,0,0|1,0,0]=2 523 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,0,0,0,0,0|1,0,0]=2 524 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,0,0,0,0,0|2,0,0]=3 525 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,0,0,0,0,0|1,0,0]=2 526 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,0,0,0,0,0|1,0,0]=2 527 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,0,0,0,0,0|1,0,0]=2 528 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,0,0,0,0,0|2,0,0]=3 529 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,0,0,0,0,0|1,0,0]=2 530 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,0,0,0,0,0|1,0,0]=2 531 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,0,0,0,0,0|1,0,0]=2 532 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,0,0,0,0,0|1,0,0]=2 533 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,0,0,0,0,0|1,0,0]=2 534 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,0,0,0,0,0|1,0,0]=2 535 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [1,0,0,0,0,0|1,0,1]=3 536 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [1,0,0,0,0,0|1,0,1]=3 537 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [1,0,0,0,0,0|1,0,1]=3 538 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [1,0,0,0,0,0|3,0,0]=4 539 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,0,0,0,0,0|1,0,0]=2 540 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,0,0,0,0,0|1,0,0]=2 541 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,0,0,0,0,0|1,0,0]=2 542 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,0,0,0,0,0|1,0,0]=2 543 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,0,0,0,0,0|1,0,0]=2 544 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,0,0,0,0,0|1,0,0]=2 545 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,0,0,0,0,0|1,0,0]=2 546 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,0,0,0,0,0|1,0,0]=2 547 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,0,0,0,0,0|2,0,0]=3 548 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,0,0,0,0,0|2,0,0]=3 549 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,0,0,0,0,0|2,0,0]=3 550 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,0,0,0,0,0|1,0,0]=2 551 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,0,0,0,0,0|1,0,0]=2 552 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,0,0,0,0,0|1,0,0]=2 553 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,0,0,0,0,0|1,0,0]=2 554 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,0,0,0,0,0|1,0,0]=2 555 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,0,0,0,0,0|1,0,0]=2 556 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,0,0,0,0,0|1,0,0]=2 557 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,0,0,0,0,0|2,0,0]=3 558 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,0,0,0,0,0|2,0,0]=3 559 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,0,0,0,0,0|1,0,0]=2 560 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,0,0,0,0,0|1,0,0]=2 561 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,0,0,0,0,0|1,0,0]=2 562 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,0,0,0,0,0|1,0,0]=2 563 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,0,0,0,0,0|2,0,0]=3 564 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,0,0,0,0,0|1,0,0]=2 565 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,0,0,0,0,0|1,0,0]=2 566 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,0,0,0,0,0|1,0,0]=2 567 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,0,0,0,0,0|1,0,0]=2 568 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,0,0,0,0,0|1,0,0]=2 569 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,0,0,0,0,0|1,0,0]=2 570 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,0,0,0,0,0|1,0,0]=2 571 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,0,0,0,0,0|1,0,0]=2 572 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,0,0,0,0,0|1,0,0]=2 573 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,0,0,0,0,0|2,0,0]=3 574 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,0,0,0,0,0|2,0,0]=3 575 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,0,0,0,0,0|2,0,0]=3 576 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,0,0,0,0,0|1,0,0]=2 577 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,0,0,0,0,0|1,0,0]=2 578 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,0,0,0,0,0|1,0,0]=2 579 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,0,0,0,0,0|1,0,0]=2 580 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,0,0,0,0,0|1,0,0]=2 581 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,0,0,0,0,0|1,0,0]=2 582 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,0,0,0,0,0|1,0,0]=2 583 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,0,0,0,0,0|1,0,0]=2 584 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,0,0,0,0,0|2,0,0]=3 585 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,0,0,0,0,0|1,0,0]=2 586 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,0,0,0,0,0|1,0,0]=2 587 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,0,0,0,0,0|1,0,0]=2 588 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,0,0,0,0,0|1,0,0]=2 589 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,0,0,0,0,0|1,0,0]=2 590 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,0,0,0,0,0|1,0,0]=2 591 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [1,0,0,0,0,0|3,0,0]=4 592 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [1,0,0,0,0,0|3,0,0]=4 593 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [1,0,0,0,0,0|3,0,0]=4 594 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,0,0,0,0,0|2,0,0]=3 595 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,0,0,0,0,0|2,0,0]=3 596 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [1,0,0,0,0,0|0,0,2]=3 597 B9R0.3 C(N)(CCSC)C(C)(C)O MCULE-7544508587 [0,1,0,0,0,0|2,0,1]=4 598 B9R0.3 C(N)(CCSC)C(C)(C)O MCULE-8202006517 [0,1,0,0,0,0|2,0,1]=4 599 B9R0.3 CCCCC(C)S(=O)(=O)N MCULE-6167516279 [0,1,0,0,0,0|2,0,1]=4 600 B9R0.3 CCCCC(N)C(F)(F)F MCULE-4772682374 [0,1,0,0,0,0|2,0,1]=4 601 B9R0.3 CCCCC(N)P(=O)(O)O MCULE-6746003648 [0,1,0,0,0,0|1,0,0]=2 602 B9R0.3 CCCC[C@@H](N)C(F)(F)F MCULE-5519593858 [0,1,0,0,0,0|2,0,1]=4 603 B9R0.3 CCCC[C@@H](N)C(F)(F)F MCULE-7026955079 [0,1,0,0,0,0|2,0,1]=4 604 B9R0.3 CCCC[C@@H](N)C(F)(F)F MCULE-8152799040 [0,1,0,0,0,0|2,0,1]=4 605 B9R0.3 CCCC[C@H](N)C(F)(F)F MCULE-5692883882 [0,1,0,0,0,0|2,0,1]=4 606 B9R0.3 CCCC[C@H](N)C(F)(F)F MCULE-6815873903 [0,1,0,0,0,0|2,0,1]=4 607 B9R0.3 CCCC[C@H](N)C(F)(F)F MCULE-9790815885 [0,1,0,0,0,0|2,0,1]=4 608 B9R0.3 CSCCC(N)C(C)(C)O MCULE-3424813820 [0,1,0,0,0,0|2,0,1]=4 609 B9R0.3 CSCCC(N)C(C)(C)O MCULE-8866627958 [0,1,0,0,0,0|2,0,1]=4 610 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-1314538644 [0,1,0,0,0,0|2,0,1]=4 611 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-6475773659 [0,1,0,0,0,0|2,0,1]=4 612 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-7880752352 [0,1,0,0,0,0|2,0,1]=4 613 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-9319403199 [0,1,0,0,0,0|2,0,1]=4 614 B9R0.3 CSCC[C@H](N)C(C)(C)O MCULE-3286830056 [0,1,0,0,0,0|2,0,1]=4 615 B9R0.3 CSCC[C@H](N)C(C)(C)O MCULE-4360953563 [0,1,0,0,0,0|2,0,1]=4 616 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,1,0,0,0,0|0,0,0]=1 617 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-3877102152 [0,1,0,0,0,0|2,0,0]=3 618 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-5998533545 [0,1,0,0,0,0|2,0,0]=3 619 B9R0.6 CCCC(O)C(C)C(C)O MCULE-2897758601 [0,1,0,0,0,0|2,0,1]=4 620 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,1,0,0,0,0|0,0,0]=1 621 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-1873801018 [0,1,0,0,0,0|2,0,0]=3 622 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-5086135715 [0,1,0,0,0,0|2,0,0]=3 623 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,1,0,0,0,0|1,0,0]=2 624 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,1,0,0,0,0|1,0,0]=2 625 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,1,0,0,0,0|1,0,0]=2 626 B9R0.6 CCOC(=O)C(C)C(=O)O MCULE-8985852240 [0,1,0,0,0,0|2,0,1]=4 627 B9R0.6 CCOC(=O)C(N)C(=O)C MCULE-2343188401 [0,1,0,0,0,0|2,0,1]=4 628 B9R0.6 CCOC(=O)C(N)C(=O)C MCULE-3236869229 [0,1,0,0,0,0|2,0,1]=4 629 B9R0.6 COCC(C)C(C)C(=O)O MCULE-8168198082 [0,1,0,0,0,0|2,0,0]=3 630 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,1,0,0,0,0|1,0,1]=3 631 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-3833333239 [0,1,0,0,0,0|2,0,1]=4 632 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-5949669555 [0,1,0,0,0,0|2,0,1]=4 633 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,1,0,0,0,0|0,0,2]=3 634 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,1,0,0,0,0|0,0,2]=3 635 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,1,0,0,0,0|0,0,2]=3 636 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,0,0,0,0|1,0,1]=3 637 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,0,0,0,0|1,0,1]=3 638 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,0,0,0,0|1,0,1]=3 639 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,0,0,0,0|1,0,1]=3 640 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,0,0,0,0|1,0,1]=3 641 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,0,0,0,0|1,0,1]=3 642 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,0,0,0,0|1,0,1]=3 643 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,0,0,0,0|1,0,1]=3 644 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,0,0,0,0|1,0,1]=3 645 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,0,0,0,0|1,0,1]=3 646 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,0,0,0,0|1,0,1]=3 647 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,0,0,0,0|1,0,1]=3 648 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,1,0,0,0,0|2,0,1]=4 649 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,0,0,0,0|1,0,1]=3 650 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,0,0,0,0|1,0,1]=3 651 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,1,0,0,0,0|2,0,1]=4 652 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,1,0,0,0,0|2,0,1]=4 653 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,0,0,0,0|1,0,1]=3 654 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,0,0,0,0|1,0,1]=3 655 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,1,0,0,0,0|1,0,0]=2 656 B9R0.7 CC(C)CCC(C)C(C)O MCULE-8246604586 [0,1,0,0,0,0|2,0,1]=4 657 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,1,0,0,0,0|1,0,0]=2 658 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,1,0,0,0,0|0,0,0]=1 659 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,1,0,0,0,0|0,0,0]=1 660 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,1,0,0,0,0|0,0,0]=1 661 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,1,0,0,0,0|0,0,0]=1 662 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,1,0,0,0,0|0,0,0]=1 663 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,1,0,0,0,0|0,0,0]=1 664 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,1,0,0,0,0|0,0,0]=1 665 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,1,0,0,0,0|0,0,0]=1 666 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,1,0,0,0,0|0,0,0]=1 667 B9R0.7 CC(C)CNC(=O)C(=O)O MCULE-4401645596 [0,1,0,0,0,0|2,0,1]=4 668 B9R0.7 CC(C)COC(C)C(=O)O MCULE-1125012565 [0,1,0,0,0,0|2,0,0]=3 669 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [0,1,0,0,0,0|1,0,0]=2 670 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,1,0,0,0,0|1,0,0]=2 671 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,0,0|2,0,1]=4 672 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,0,0|2,0,1]=4 673 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,1,0,0,0,0|2,0,0]=3 674 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,1,0,0,0,0|2,0,0]=3 675 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,1,0,0,0,0|1,0,0]=2 676 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,1,0,0,0,0|2,0,0]=3 677 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,1,0,0,0,0|1,0,0]=2 678 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,1,0,0,0,0|1,0,0]=2 679 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,0,0,0,0|1,0,0]=2 680 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,0,0,0,0|1,0,0]=2 681 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,0,0,0,0|1,0,0]=2 682 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,0,0,0,0|1,0,0]=2 683 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,0,0,0,0|1,0,0]=2 684 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,0,0,0,0|1,0,0]=2 685 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,0,0|2,0,1]=4 686 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,0,0|2,0,1]=4 687 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,0,0|2,0,1]=4 688 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,1,0,0,0,0|3,0,0]=4 689 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,1,0,0,0,0|1,0,0]=2 690 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,1,0,0,0,0|1,0,0]=2 691 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,1,0,0,0,0|1,0,0]=2 692 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,1,0,0,0,0|1,0,0]=2 693 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,1,0,0,0,0|1,0,0]=2 694 B9R0.7 C[S+](C)CCC(N)C(=O)[O-] MCULE-6795236117 [0,1,0,0,0,0|1,0,1]=3 695 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,1,0,0,0,0|1,0,0]=2 696 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,1,0,0,0,0|1,0,0]=2 697 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,1,0,0,0,0|1,0,0]=2 698 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,1,0,0,0,0|1,0,0]=2 699 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,1,0,0,0,0|1,0,0]=2 700 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,1,0,0,0,0|1,0,0]=2 701 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,1,0,0,0,0|1,0,0]=2 702 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,1,0,0,0,0|1,0,0]=2 703 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,1,0,0,0,0|1,0,0]=2 704 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,1,0,0,0,0|2,0,1]=4 705 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,1,0,0,0,0|2,0,1]=4 706 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,1,0,0,0,0|2,0,1]=4 707 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,1,0,0,0,0|2,0,1]=4 708 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,1,0,0,0,0|2,0,1]=4 709 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,1,0,0,0,0|2,0,1]=4 710 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,1,0,0,0,0|2,0,1]=4 711 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,1,0,0,0,0|2,0,1]=4 712 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,0,0,0,0|2,0,1]=4 713 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,0,0,0,0|2,0,1]=4 714 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,0,0,0,0|1,0,1]=3 715 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,1,0,0,0,0|2,0,1]=4 716 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,1,0,0,0,0|2,0,1]=4 717 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,1,0,0,0,0|2,0,1]=4 718 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,1,0,0,0,0|2,0,1]=4 719 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,0,0,0,0|1,0,1]=3 720 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,0,0,0,0|1,0,1]=3 721 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,1,0,0,0,0|2,0,1]=4 722 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,1,0,0,0,0|2,0,1]=4 723 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,1,0,0,0,0|2,0,1]=4 724 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,1,0,0,0,0|2,0,1]=4 725 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,0,0,0,0|1,0,1]=3 726 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,0,0,0,0|1,0,1]=3 727 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,1,0,0,0,0|2,0,1]=4 728 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,1,0,0,0,0|2,0,1]=4 729 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,1,0,0,0,0|2,0,1]=4 730 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,1,0,0,0,0|2,0,1]=4 731 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,1,0,0,0,0|2,0,1]=4 732 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,1,0,0,0,0|2,0,1]=4 733 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,0,0,0,0|2,0,1]=4 734 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,0,0,0,0|2,0,1]=4 735 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,0,0,0,0|2,0,1]=4 736 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,0,0,0,0|2,0,1]=4 737 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,0,0,0,0|2,0,1]=4 738 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,0,0,0,0|2,0,1]=4 739 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,0,0,0,0|1,0,1]=3 740 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,0,0,0,0|1,0,1]=3 741 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,0,0,0,0|1,0,1]=3 742 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,1,0,0,0,0|1,0,1]=3 743 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,0,0,0,0|1,0,1]=3 744 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,0,0,0,0|1,0,1]=3 745 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,0,0,0,0|1,0,1]=3 746 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,0,0,0,0|1,0,1]=3 747 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,0,0,0,0|1,0,1]=3 748 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,1,0,0,0,0|1,0,2]=4 749 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,1,0,0,0,0|1,0,1]=3 750 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,1,0,0,0,0|1,0,1]=3 751 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,0,0,0,0|1,0,1]=3 752 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,0,0,0,0|1,0,1]=3 753 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,0,0,0,0|2,0,1]=4 754 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,0,0|2,0,1]=4 755 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,0,0|2,0,1]=4 756 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,0,0|2,0,1]=4 757 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,0,0,0,0|2,0,1]=4 758 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,0,0,0,0|2,0,1]=4 759 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,0,0,0,0|2,0,1]=4 760 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,0,0|2,0,1]=4 761 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,1,0,0,0,0|2,0,0]=3 762 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,0,0,0,0|2,0,1]=4 763 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,0,0,0,0|1,0,1]=3 764 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,0,0,0,0|1,0,0]=2 765 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,0,0|2,0,1]=4 766 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-3671687930 [0,1,0,0,0,0|1,0,0]=2 767 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-7038280539 [0,1,0,0,0,0|1,0,0]=2 768 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9372602528 [0,1,0,0,0,0|0,0,2]=3 769 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9719986161 [0,1,0,0,0,0|0,0,2]=3 770 B9R0.8 CC#CCC(N)C(=O)OC MCULE-5322994663 [0,1,0,0,0,0|0,0,2]=3 771 B9R0.8 CCCCC(Br)C(=O)OC MCULE-4103872528 [0,1,0,0,0,0|1,0,0]=2 772 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [0,1,0,0,0,0|0,0,0]=1 773 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [0,1,0,0,0,0|0,0,0]=1 774 B9R0.8 CCCCC(S)C(=O)OC MCULE-3094220494 [0,1,0,0,0,0|1,0,0]=2 775 B9R0.8 CCCCN(C)C(=O)CCl MCULE-5882166867 [0,1,0,0,0,0|3,0,0]=4 776 B9R0.8 CCCCN(C)C(=O)CN MCULE-5896003664 [0,1,0,0,0,0|3,0,0]=4 777 B9R0.8 CCCCN(C)C(=O)CN MCULE-6384648244 [0,1,0,0,0,0|3,0,0]=4 778 B9R0.8 CCCCN(C)C(=O)CS MCULE-5569228803 [0,1,0,0,0,0|2,1,0]=4 779 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [0,1,0,0,0,0|0,0,0]=1 780 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [0,1,0,0,0,0|0,0,0]=1 781 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [0,1,0,0,0,0|0,0,0]=1 782 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [0,1,0,0,0,0|0,0,0]=1 783 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [0,1,0,0,0,0|0,0,0]=1 784 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [0,1,0,0,0,0|0,0,0]=1 785 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [0,1,0,0,0,0|0,0,0]=1 786 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [0,1,0,0,0,0|0,0,0]=1 787 B9R0.8 CCCNC(C)C(=O)OC MCULE-6800510102 [0,1,0,0,0,0|2,0,0]=3 788 B9R0.8 CCNCC(C)C(=O)OC MCULE-6455791716 [0,1,0,0,0,0|2,0,0]=3 789 B9R0.8 CNC(=O)C(Br)CCCBr MCULE-1002452684 [0,1,0,0,0,0|3,0,0]=4 790 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-3612140892 [0,1,0,0,0,0|2,0,0]=3 791 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-5468588566 [0,1,0,0,0,0|2,0,0]=3 792 B9R0.8 CNCCN(C)C(=O)OC MCULE-4007840591 [0,1,0,0,0,0|3,0,0]=4 793 B9R0.8 COC(=O)C(=O)CCCBr MCULE-8546187031 [0,1,0,0,0,0|2,0,1]=4 794 B9R0.8 COC(=O)C(=O)CCCCl MCULE-2958576452 [0,1,0,0,0,0|2,0,1]=4 795 B9R0.8 COC(=O)C(Br)CCCBr MCULE-5582617448 [0,1,0,0,0,0|2,0,0]=3 796 B9R0.8 COC(=O)C(Br)CCCCl MCULE-9987054323 [0,1,0,0,0,0|2,0,0]=3 797 B9R0.8 COC(=O)C(C)NCCF MCULE-3281749935 [0,1,0,0,0,0|3,0,0]=4 798 B9R0.8 COC(=O)C(N)CCCN MCULE-6521555168 [0,1,0,0,0,0|1,0,0]=2 799 B9R0.8 COC(=O)C(N)CCSC MCULE-4738091605 [0,1,0,0,0,0|1,0,0]=2 800 B9R0.8 COC(=O)C(N)CCSC MCULE-7178342109 [0,1,0,0,0,0|1,0,0]=2 801 B9R0.8 COC(=O)C(O)CCCBr MCULE-5891554758 [0,1,0,0,0,0|2,0,0]=3 802 B9R0.8 COC(=O)C(O)CCSC MCULE-3114435129 [0,1,0,0,0,0|2,0,0]=3 803 B9R0.8 COC(=O)N(C)CCCN MCULE-4167608498 [0,1,0,0,0,0|3,0,0]=4 804 B9R0.8 COC(=O)N(C)CCCO MCULE-4886206070 [0,1,0,0,0,0|3,0,0]=4 805 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-3351048688 [0,1,0,0,0,0|1,0,0]=2 806 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-4548438838 [0,1,0,0,0,0|1,0,0]=2 807 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-7062535738 [0,1,0,0,0,0|1,0,0]=2 808 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-9355659419 [0,1,0,0,0,0|1,0,0]=2 809 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-3027295067 [0,1,0,0,0,0|1,0,0]=2 810 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4484402389 [0,1,0,0,0,0|1,0,0]=2 811 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4509945770 [0,1,0,0,0,0|1,0,0]=2 812 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-8108341265 [0,1,0,0,0,0|1,0,0]=2 813 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-2625316815 [0,1,0,0,0,0|1,0,0]=2 814 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4715960090 [0,1,0,0,0,0|1,0,0]=2 815 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4992114876 [0,1,0,0,0,0|1,0,0]=2 816 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-9745337815 [0,1,0,0,0,0|1,0,0]=2 817 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2197835132 [0,1,0,0,0,0|1,0,0]=2 818 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2663127706 [0,1,0,0,0,0|1,0,0]=2 819 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-6414786546 [0,1,0,0,0,0|1,0,0]=2 820 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-7616587728 [0,1,0,0,0,0|1,0,0]=2 821 B9R0.8 COCCC(N)C(=O)OC MCULE-3540159086 [0,1,0,0,0,0|1,0,0]=2 822 B9R0.8 COCCC(N)C(=O)OC MCULE-5893511237 [0,1,0,0,0,0|1,0,0]=2 823 B9R0.13 C=CCCC(CC)C(=O)O MCULE-6019823383 [0,1,0,0,0,0|1,0,2]=4 824 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [0,1,0,0,0,0|2,0,0]=3 825 B9R0.13 CCC(OCCO)C(=O)O MCULE-6934668694 [0,1,0,0,0,0|3,0,0]=4 826 B9R0.13 CCCC=C(C#N)C(=O)O MCULE-9407639881 [0,1,0,0,0,0|0,0,3]=4 827 B9R0.13 CCCC=C(CC)C(=O)O MCULE-2193027210 [0,1,0,0,0,0|1,0,2]=4 828 B9R0.13 CCCCC(CC)C(=O)C MCULE-6594996935 [0,1,0,0,0,0|2,0,0]=3 829 B9R0.13 CCCCC(CC)C(=O)Cl MCULE-5129133966 [0,1,0,0,0,0|2,0,0]=3 830 B9R0.13 CCCCC(CC)C(=O)N MCULE-6741704780 [0,1,0,0,0,0|2,0,0]=3 831 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [0,1,0,0,0,0|1,0,0]=2 832 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6405828438 [0,1,0,0,0,0|1,0,1]=3 833 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6841285360 [0,1,0,0,0,0|1,0,1]=3 834 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-9345456808 [0,1,0,0,0,0|1,0,1]=3 835 B9R0.13 CCCCC(CC)C(C)O MCULE-1362746509 [0,1,0,0,0,0|2,0,1]=4 836 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [0,1,0,0,0,0|0,0,0]=1 837 B9R0.13 CCCCC(CO)C(=O)C MCULE-8991511326 [0,1,0,0,0,0|2,0,0]=3 838 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [0,1,0,0,0,0|1,0,0]=2 839 B9R0.13 CCCCC(NC)C(=O)N MCULE-5960268514 [0,1,0,0,0,0|1,0,0]=2 840 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [0,1,0,0,0,0|0,0,0]=1 841 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [0,1,0,0,0,0|1,0,0]=2 842 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [0,1,0,0,0,0|1,0,0]=2 843 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [0,1,0,0,0,0|1,0,0]=2 844 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [0,1,0,0,0,0|0,0,0]=1 845 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [0,1,0,0,0,0|1,0,0]=2 846 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [0,1,0,0,0,0|1,0,0]=2 847 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [0,1,0,0,0,0|0,0,0]=1 848 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [0,1,0,0,0,0|1,0,0]=2 849 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [0,1,0,0,0,0|1,0,0]=2 850 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [0,1,0,0,0,0|0,0,0]=1 851 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [0,1,0,0,0,0|0,0,0]=1 852 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [0,1,0,0,0,0|0,0,0]=1 853 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [0,1,0,0,0,0|0,0,0]=1 854 B9R0.13 CCCOC(CC)C(=O)N MCULE-3706906733 [0,1,0,0,0,0|3,0,0]=4 855 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [0,1,0,0,0,0|1,0,0]=2 856 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [0,1,0,0,0,0|1,0,0]=2 857 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [0,1,0,0,0,0|1,0,0]=2 858 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [0,1,0,0,0,0|1,0,0]=2 859 B9R0.13 COC(CCSC)C(=O)O MCULE-2968161259 [0,1,0,0,0,0|2,0,0]=3 860 B9R0.13 CSCCC(N=[Se])C(=O)O MCULE-9506566313 [0,1,0,0,0,0|1,0,1]=3 861 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,1,0,0,0,0|1,0,1]=3 862 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,1,0,0,0,0|1,0,0]=2 863 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,1,0,0,0,0|0,0,1]=2 864 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,1,0,0,0,0|0,0,1]=2 865 B9R0.42 CCC(=O)NC(C)C(=O)O MCULE-5488194337 [0,1,0,0,0,0|2,0,1]=4 866 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O MCULE-5552061501 [0,1,0,0,0,0|2,0,1]=4 867 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,1,0,0,0,0|1,0,0]=2 868 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,1,0,0,0,0|0,0,0]=1 869 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,1,0,0,0,0|0,0,0]=1 870 B9R0.42 CCC(C)NC(=O)C(=O)O MCULE-6488437367 [0,1,0,0,0,0|2,0,1]=4 871 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [0,1,0,0,0,0|2,0,0]=3 872 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [0,1,0,0,0,0|2,0,0]=3 873 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,1,0,0,0,0|1,0,1]=3 874 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,1,0,0,0,0|1,0,1]=3 875 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,1,0,0,0,0|1,0,1]=3 876 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,1,0,0,0,0|1,0,1]=3 877 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,1,0,0,0,0|1,0,1]=3 878 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,1,0,0,0,0|1,0,1]=3 879 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,1,0,0,0,0|2,0,1]=4 880 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,1,0,0,0,0|2,0,1]=4 881 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,1,0,0,0,0|1,0,1]=3 882 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,1,0,0,0,0|1,0,1]=3 883 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,1,0,0,0,0|1,0,1]=3 884 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,1,0,0,0,0|2,0,1]=4 885 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,1,0,0,0,0|2,0,1]=4 886 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,1,0,0,0,0|2,0,1]=4 887 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,1,0,0,0,0|1,0,1]=3 888 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,1,0,0,0,0|1,0,1]=3 889 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,1,0,0,0,0|1,0,1]=3 890 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,1,0,0,0,0|1,0,1]=3 891 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,1,0,0,0,0|2,0,1]=4 892 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,1,0,0,0,0|2,0,1]=4 893 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,1,0,0,0,0|2,0,1]=4 894 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,1,0,0,0,0|1,0,1]=3 895 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,1,0,0,0,0|1,0,1]=3 896 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,1,0,0,0,0|1,0,1]=3 897 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,1,0,0,0,0|1,0,1]=3 898 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,1,0,0,0,0|2,0,1]=4 899 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [0,1,0,0,0,0|3,0,0]=4 900 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,1,0,0,0,0|1,0,1]=3 901 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,1,0,0,0,0|1,0,1]=3 902 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,1,0,0,0,0|2,0,1]=4 903 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [0,1,0,0,0,0|3,0,0]=4 904 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [0,1,0,0,0,0|3,0,0]=4 905 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [0,1,0,0,0,0|0,0,1]=2 906 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [0,1,0,0,0,0|0,0,1]=2 907 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [0,1,0,0,0,0|0,0,1]=2 908 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [0,1,0,0,0,0|0,0,1]=2 909 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [0,1,0,0,0,0|0,0,2]=3 910 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [0,1,0,0,0,0|0,0,2]=3 911 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [0,1,0,0,0,0|0,0,2]=3 912 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [0,1,0,0,0,0|0,0,0]=1 913 B9R0.47 C/C=C/SC[C@H](N)C(=O)O MCULE-2540874981 [0,1,0,0,0,0|0,0,2]=3 914 B9R0.47 C=CCCCC(C)C(=O)C MCULE-3594332716 [0,1,0,0,0,0|2,0,1]=4 915 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [0,1,0,0,0,0|0,0,1]=2 916 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [0,1,0,0,0,0|0,0,1]=2 917 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [0,1,0,0,0,0|0,0,1]=2 918 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [0,1,0,0,0,0|0,0,1]=2 919 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [0,1,0,0,0,0|0,0,1]=2 920 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [0,1,0,0,0,0|0,0,1]=2 921 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [0,1,0,0,0,0|0,0,1]=2 922 B9R0.47 C=CCCNC(C)C(=O)O MCULE-2164423879 [0,1,0,0,0,0|1,0,2]=4 923 B9R0.47 C=CCCOC(C)C(=O)O MCULE-4921869592 [0,1,0,0,0,0|1,0,2]=4 924 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [0,1,0,0,0,0|0,0,2]=3 925 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [0,1,0,0,0,0|0,0,2]=3 926 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [0,1,0,0,0,0|0,0,2]=3 927 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [0,1,0,0,0,0|0,0,2]=3 928 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [0,1,0,0,0,0|0,0,2]=3 929 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [0,1,0,0,0,0|0,0,2]=3 930 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [0,1,0,0,0,0|0,0,2]=3 931 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [0,1,0,0,0,0|0,0,2]=3 932 B9R0.47 CC(CSCCN)C(=O)O MCULE-8181129041 [0,1,0,0,0,0|2,0,0]=3 933 B9R0.47 CC(CSCCN)C(=O)O MCULE-9927031234 [0,1,0,0,0,0|2,0,0]=3 934 B9R0.47 CC(NCCC#N)C(=O)O MCULE-7314407236 [0,1,0,0,0,0|2,0,1]=4 935 B9R0.47 CC=CSC[C@H](N)C(=O)O MCULE-2840170360 [0,1,0,0,0,0|0,0,2]=3 936 B9R0.47 CCCC=CC(O)C(=O)O MCULE-9096490162 [0,1,0,0,0,0|1,0,1]=3 937 B9R0.47 CCCCCC(=O)C(=O)C MCULE-3171324169 [0,1,0,0,0,0|2,0,1]=4 938 B9R0.47 CCCCCC(=O)C(=O)O MCULE-2334480456 [0,1,0,0,0,0|1,0,1]=3 939 B9R0.47 CCCCCC(C)C(=O)C MCULE-8141962187 [0,1,0,0,0,0|2,0,0]=3 940 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [0,1,0,0,0,0|1,0,0]=2 941 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [0,1,0,0,0,0|0,0,0]=1 942 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [0,1,0,0,0,0|0,0,0]=1 943 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [0,1,0,0,0,0|1,0,0]=2 944 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [0,1,0,0,0,0|0,0,0]=1 945 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [0,1,0,0,0,0|0,0,0]=1 946 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [0,1,0,0,0,0|0,0,0]=1 947 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [0,1,0,0,0,0|0,0,0]=1 948 B9R0.47 CCCCOC(=O)C(=O)N MCULE-6311547398 [0,1,0,0,0,0|2,0,1]=4 949 B9R0.47 CCCCOC(C)C(=O)O MCULE-2711768240 [0,1,0,0,0,0|1,0,0]=2 950 B9R0.47 CCCCSC(C)C(=O)O MCULE-1538375330 [0,1,0,0,0,0|1,0,0]=2 951 B9R0.47 CCCOCC(N)C(C)C MCULE-6320176513 [0,1,0,0,0,0|2,0,1]=4 952 B9R0.47 CCCOCC(N)C(C)C MCULE-7805441914 [0,1,0,0,0,0|2,0,1]=4 953 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [0,1,0,0,0,0|0,0,0]=1 954 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [0,1,0,0,0,0|0,0,0]=1 955 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [0,1,0,0,0,0|0,0,0]=1 956 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [0,1,0,0,0,0|0,0,0]=1 957 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [0,1,0,0,0,0|0,0,0]=1 958 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [0,1,0,0,0,0|0,0,0]=1 959 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [0,1,0,0,0,0|0,0,0]=1 960 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [0,1,0,0,0,0|0,0,0]=1 961 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [0,1,0,0,0,0|0,0,0]=1 962 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [0,1,0,0,0,0|1,0,0]=2 963 B9R0.47 COCCNC(C)C(=O)N MCULE-1475869974 [0,1,0,0,0,0|3,0,0]=4 964 B9R0.47 COCCNC(C)C(=O)N MCULE-3132916689 [0,1,0,0,0,0|3,0,0]=4 965 B9R0.47 COCCNC(C)C(=O)O MCULE-1762428923 [0,1,0,0,0,0|2,0,0]=3 966 B9R0.47 COCCNC(C)C(=O)O MCULE-8532368084 [0,1,0,0,0,0|2,0,0]=3 967 B9R0.47 COCCOC(C)C(=O)O MCULE-5271320344 [0,1,0,0,0,0|2,0,0]=3 968 B9R0.47 CSCCOC(C)C(=O)O MCULE-2180057271 [0,1,0,0,0,0|2,0,0]=3 969 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [0,1,0,0,0,0|1,0,0]=2 970 B9R0.47 N#N=NCCC(N)C(=O)O MCULE-3306935085 [0,1,0,0,0,0|2,0,0]=3 971 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-5611888169 [0,1,0,0,0,0|2,0,1]=4 972 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-6448566029 [0,1,0,0,0,0|2,0,1]=4 973 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [0,1,0,0,0,0|0,0,0]=1 974 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [0,1,0,0,0,0|1,0,0]=2 975 B9R0.47 NCC#CCC(N)C(=O)O MCULE-6095484409 [0,1,0,0,0,0|0,0,2]=3 976 B9R0.47 NCC#CCC(N)C(=O)O MCULE-8713805302 [0,1,0,0,0,0|0,0,2]=3 977 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [0,1,0,0,0,0|0,0,2]=3 978 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [0,1,0,0,0,0|1,0,0]=2 979 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [0,1,0,0,0,0|1,0,0]=2 980 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [0,1,0,0,0,0|0,0,0]=1 981 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [0,1,0,0,0,0|0,0,0]=1 982 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [0,1,0,0,0,0|0,0,0]=1 983 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [0,1,0,0,0,0|0,0,0]=1 984 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [0,1,0,0,0,0|0,0,0]=1 985 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [0,1,0,0,0,0|0,0,0]=1 986 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [0,1,0,0,0,0|0,0,0]=1 987 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [0,1,0,0,0,0|0,0,0]=1 988 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [0,1,0,0,0,0|0,0,0]=1 989 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [0,1,0,0,0,0|1,0,0]=2 990 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [0,1,0,0,0,0|1,0,0]=2 991 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [0,1,0,0,0,0|1,0,0]=2 992 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [0,1,0,0,0,0|1,0,0]=2 993 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [0,1,0,0,0,0|0,0,0]=1 994 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [0,1,0,0,0,0|0,0,0]=1 995 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [0,1,0,0,0,0|0,0,0]=1 996 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [0,1,0,0,0,0|0,0,0]=1 997 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [0,1,0,0,0,0|0,0,0]=1 998 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [0,1,0,0,0,0|0,0,0]=1 999 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [0,1,0,0,0,0|0,0,0]=1 1000 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [0,1,0,0,0,0|0,0,0]=1 1001 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [0,1,0,0,0,0|0,0,0]=1 1002 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [0,1,0,0,0,0|0,0,0]=1 1003 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [0,1,0,0,0,0|0,0,0]=1 1004 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [0,1,0,0,0,0|0,0,1]=2 1005 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [0,1,0,0,0,0|1,0,0]=2 1006 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [0,1,0,0,0,0|1,0,0]=2 1007 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [0,1,0,0,0,0|1,0,0]=2 1008 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [0,1,0,0,0,0|1,0,0]=2 1009 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [0,1,0,0,0,0|1,0,0]=2 1010 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [0,1,0,0,0,0|1,0,0]=2 1011 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [0,1,0,0,0,0|1,0,0]=2 1012 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [0,1,0,0,0,0|1,0,0]=2 1013 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [0,1,0,0,0,0|1,0,0]=2 1014 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [0,1,0,0,0,0|1,0,0]=2 1015 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [0,1,0,0,0,0|1,0,0]=2 1016 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [0,1,0,0,0,0|1,0,0]=2 1017 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [0,1,0,0,0,0|1,0,0]=2 1018 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [0,1,0,0,0,0|1,0,0]=2 1019 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [0,1,0,0,0,0|0,0,0]=1 1020 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [0,1,0,0,0,0|0,0,0]=1 1021 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [0,1,0,0,0,0|1,0,0]=2 1022 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [0,1,0,0,0,0|1,0,0]=2 1023 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [0,1,0,0,0,0|1,0,0]=2 1024 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [0,1,0,0,0,0|1,0,0]=2 1025 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [0,1,0,0,0,0|2,0,0]=3 1026 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [0,1,0,0,0,0|1,0,0]=2 1027 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [0,1,0,0,0,0|1,0,0]=2 1028 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [0,1,0,0,0,0|1,0,0]=2 1029 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [0,1,0,0,0,0|0,0,0]=1 1030 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [0,1,0,0,0,0|0,0,0]=1 1031 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [0,1,0,0,0,0|0,0,0]=1 1032 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [0,1,0,0,0,0|0,0,2]=3 1033 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O MCULE-3468296516 [0,1,0,0,0,0|2,0,0]=3 1034 B9R0.47 [N-]=[N+]=NCC[C@@H]([NH3+])C(=O)O MCULE-9960871536 [0,1,0,0,0,0|2,0,1]=4 1035 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-3922595405 [0,1,0,0,0,0|2,0,0]=3 1036 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-4625957807 [0,1,0,0,0,0|2,0,0]=3 1037 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-5294285117 [0,1,0,0,0,0|2,0,0]=3 1038 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-6236286481 [0,1,0,0,0,0|2,0,0]=3 1039 B9R0.47 [N-]=[N+]=NCC[C@H](O)C(=O)O MCULE-6077907887 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.47 [N-]=[N+]=NCC[C@H]([NH3+])C(=O)O MCULE-9804764124 [0,1,0,0,0,0|2,0,1]=4 1041 B9R0.47 [NH3+][C@@H](CSCCO)C(=O)[O-] MCULE-6668183133 [0,1,0,0,0,0|1,0,2]=4 1042 B9R0.51 C=CCCC(C)(C)C(=O)O MCULE-1492058519 [0,1,0,0,0,0|1,0,2]=4 1043 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [0,1,0,0,0,0|0,0,2]=3 1044 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [0,1,0,0,0,0|0,0,2]=3 1045 B9R0.51 CC(C)(CCC#N)C(=O)O MCULE-6179801954 [0,1,0,0,0,0|2,0,1]=4 1046 B9R0.51 CC(C)(CCCO)C(=O)O MCULE-8432032551 [0,1,0,0,0,0|2,0,0]=3 1047 B9R0.51 CC(C)(CCCO)C(=O)[O-] MCULE-7948640149 [0,1,0,0,0,0|2,0,1]=4 1048 B9R0.51 CC(C)(OCCO)C(=O)O MCULE-7350629526 [0,1,0,0,0,0|3,0,0]=4 1049 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [0,1,0,0,0,0|1,0,0]=2 1050 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [0,1,0,0,0,0|1,0,0]=2 1051 B9R0.51 CCCCC(C)(C)C(=O)C MCULE-3392309275 [0,1,0,0,0,0|2,0,0]=3 1052 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [0,1,0,0,0,0|1,0,0]=2 1053 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [0,1,0,0,0,0|1,0,0]=2 1054 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [0,1,0,0,0,0|1,0,0]=2 1055 B9R0.51 CCCCC(F)(F)C(=O)O MCULE-3383573238 [0,1,0,0,0,0|1,0,0]=2 1056 B9R0.51 CCOCC(C)(C)C(=O)O MCULE-3248915686 [0,1,0,0,0,0|2,0,0]=3 1057 B9R0.51 COCCC(C)(C)C(=O)O MCULE-6792174270 [0,1,0,0,0,0|2,0,0]=3 1058 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [0,1,0,0,0,0|1,0,0]=2 1059 B9R1.5 CC1CCCCCC1=O MCULE-3737709008 [0,0,0,1,0,0|2,0,0]=3 1060 B9R1.5 CC1CCCCCC1N MCULE-5854491023 [0,0,0,1,0,0|2,0,1]=4 1061 B9R1.5 CC1CCCCNC1=O MCULE-6519247850 [0,0,0,1,0,0|2,0,0]=3 1062 B9R1.5 CC1CCNCCC1=O MCULE-4416410353 [0,0,0,1,0,0|3,0,0]=4 1063 B9R1.5 CC1CCNCCC1=O MCULE-7780011332 [0,0,0,1,0,0|3,0,0]=4 1064 B9R1.5 CC1CNCCCC1=O MCULE-2991075150 [0,0,0,1,0,0|3,0,0]=4 1065 B9R1.5 CC1CNCCCC1=O MCULE-6909508049 [0,0,0,1,0,0|3,0,0]=4 1066 B9R1.5 CC1CNCCNC1=O MCULE-2843888618 [0,0,0,1,0,0|3,0,0]=4 1067 B9R1.5 CC1CNCCNC1=O MCULE-9735119039 [0,0,0,1,0,0|3,0,0]=4 1068 B9R1.5 CC1NCCCNC1=O MCULE-3428365237 [0,0,0,1,0,0|3,0,0]=4 1069 B9R1.5 CC1NCCCNC1=O MCULE-7033727889 [0,0,0,1,0,0|3,0,0]=4 1070 B9R1.5 CC1OCCCNC1=O MCULE-1643502257 [0,0,0,1,0,0|3,0,0]=4 1071 B9R1.5 CN1CCCCCC1=O MCULE-7241062208 [0,0,0,1,0,0|3,0,0]=4 1072 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-1934186049 [0,0,0,1,0,0|3,0,0]=4 1073 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-5236470932 [0,0,0,1,0,0|3,0,0]=4 1074 B9R1.5 C[C@H]1NCCCNC1=O MCULE-1257602323 [0,0,0,1,0,0|3,0,0]=4 1075 B9R1.5 C[C@H]1NCCCNC1=O MCULE-9576161221 [0,0,0,1,0,0|3,0,0]=4 1076 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [0,0,0,1,0,0|1,0,0]=2 1077 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [0,0,0,1,0,0|1,0,0]=2 1078 B9R1.5 NC1CCCCCC1O MCULE-8315023618 [0,0,0,1,0,0|1,0,1]=3 1079 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [0,0,0,1,0,0|1,0,0]=2 1080 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [0,0,0,1,0,0|1,0,0]=2 1081 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [0,0,0,1,0,0|1,0,0]=2 1082 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [0,0,0,1,0,0|1,0,0]=2 1083 B9R1.5 NC1CSCCNC1=O MCULE-7770173405 [0,0,0,1,0,0|2,0,0]=3 1084 B9R1.5 NC1CSCCNC1=O MCULE-9983094521 [0,0,0,1,0,0|2,0,0]=3 1085 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-2063759577 [0,0,0,1,0,0|1,0,1]=3 1086 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-8213087274 [0,0,0,1,0,0|1,0,1]=3 1087 B9R1.5 N[C@@H]1CCCCC[C@H]1O MCULE-5613622981 [0,0,0,1,0,0|1,0,1]=3 1088 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [0,0,0,1,0,0|1,0,0]=2 1089 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [0,0,0,1,0,0|1,0,0]=2 1090 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [0,0,0,1,0,0|1,0,0]=2 1091 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [0,0,0,1,0,0|1,0,0]=2 1092 B9R1.5 N[C@@H]1COCCNC1=O MCULE-1477215870 [0,0,0,1,0,0|2,0,0]=3 1093 B9R1.5 N[C@@H]1COCCNC1=O MCULE-2338970221 [0,0,0,1,0,0|2,0,0]=3 1094 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-1397409442 [0,0,0,1,0,0|2,0,0]=3 1095 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-7600788919 [0,0,0,1,0,0|2,0,0]=3 1096 B9R1.5 N[C@H]1CCCCC[C@@H]1O MCULE-6991711117 [0,0,0,1,0,0|1,0,1]=3 1097 B9R1.5 N[C@H]1CCCCC[C@H]1N MCULE-4838437415 [0,0,0,1,0,0|2,0,1]=4 1098 B9R1.5 N[C@H]1CCCCC[C@H]1N MCULE-9986210496 [0,0,0,1,0,0|2,0,1]=4 1099 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2920839467 [0,0,0,1,0,0|1,0,1]=3 1100 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2969566133 [0,0,0,1,0,0|1,0,1]=3 1101 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [0,0,0,1,0,0|1,0,0]=2 1102 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [0,0,0,1,0,0|1,0,0]=2 1103 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [0,0,0,1,0,0|1,0,0]=2 1104 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [0,0,0,1,0,0|1,0,0]=2 1105 B9R1.5 N[C@H]1COCCNC1=O MCULE-2013857076 [0,0,0,1,0,0|2,0,0]=3 1106 B9R1.5 N[C@H]1COCCNC1=O MCULE-4948373035 [0,0,0,1,0,0|2,0,0]=3 1107 B9R1.5 N[C@H]1COCCNC1=O MCULE-6232646531 [0,0,0,1,0,0|2,0,0]=3 1108 B9R1.5 N[C@H]1COCCNC1=O MCULE-7847351792 [0,0,0,1,0,0|2,0,0]=3 1109 B9R1.5 N[C@H]1CSCCNC1=O MCULE-4925355772 [0,0,0,1,0,0|2,0,0]=3 1110 B9R1.5 N[C@H]1CSCCNC1=O MCULE-6049507227 [0,0,0,1,0,0|2,0,0]=3 1111 B9R1.5 N[C@H]1CSCCNC1=O MCULE-8145988653 [0,0,0,1,0,0|2,0,0]=3 1112 B9R1.5 O=C1CCCCCC1=O MCULE-5149160405 [0,0,0,1,0,0|2,0,1]=4 1113 B9R1.5 O=C1CCCCCC1Br MCULE-8987490106 [0,0,0,1,0,0|2,0,0]=3 1114 B9R1.5 O=C1CCCCCC1Cl MCULE-8475724231 [0,0,0,1,0,0|2,0,0]=3 1115 B9R1.5 O=C1CCCCCC1F MCULE-9375666074 [0,0,0,1,0,0|2,0,0]=3 1116 B9R1.5 O=C1CCCCCC1O MCULE-1763055677 [0,0,0,1,0,0|2,0,0]=3 1117 B9R1.5 O=C1CCCCCN1Br MCULE-9229859393 [0,0,0,1,0,0|3,0,0]=4 1118 B9R1.5 O=C1CCCNCC1F MCULE-2925975058 [0,0,0,1,0,0|3,0,0]=4 1119 B9R1.5 O=C1CCCNCC1F MCULE-8103284018 [0,0,0,1,0,0|3,0,0]=4 1120 B9R1.5 O=C1CCNCCC1Br MCULE-2617340721 [0,0,0,1,0,0|3,0,0]=4 1121 B9R1.5 O=C1CCNCCC1Br MCULE-7631698969 [0,0,0,1,0,0|3,0,0]=4 1122 B9R1.5 O=C1CCNCCC1F MCULE-5060609426 [0,0,0,1,0,0|3,0,0]=4 1123 B9R1.5 O=C1CCNCCC1F MCULE-9571678689 [0,0,0,1,0,0|3,0,0]=4 1124 B9R1.5 O=C1CNCCCC1F MCULE-6506742195 [0,0,0,1,0,0|3,0,0]=4 1125 B9R1.5 O=C1CNCCCC1F MCULE-9667202528 [0,0,0,1,0,0|3,0,0]=4 1126 B9R1.5 O=C1NCCCCC1Br MCULE-1879428965 [0,0,0,1,0,0|2,0,0]=3 1127 B9R1.5 OC1CCCCCC1O MCULE-7682077273 [0,0,0,1,0,0|2,0,1]=4 1128 B9R1.5 O[C@H]1CCCCC[C@@H]1O MCULE-9651607332 [0,0,0,1,0,0|2,0,1]=4 1129 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [0,0,0,1,0,0|1,0,2]=4 1130 B9R1.6 C1(CCCNC1)C(=O)N MCULE-1974021716 [0,0,0,1,0,0|3,0,0]=4 1131 B9R1.6 C1(CCCNC1)C(=O)N MCULE-3484822743 [0,0,0,1,0,0|3,0,0]=4 1132 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [0,0,0,1,0,0|2,0,0]=3 1133 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [0,0,0,1,0,0|1,0,0]=2 1134 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [0,0,0,1,0,0|1,0,0]=2 1135 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [0,0,0,1,0,0|1,0,0]=2 1136 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [0,0,0,1,0,0|1,0,0]=2 1137 B9R1.6 C=C(O)C1CNCCN1 MCULE-4032832858 [0,0,0,1,0,0|2,0,0]=3 1138 B9R1.6 C=C(O)C1CNCCN1 MCULE-7014741917 [0,0,0,1,0,0|2,0,0]=3 1139 B9R1.6 CC(=O)C1=CCCCC1 MCULE-9958324589 [0,0,0,1,0,0|2,0,1]=4 1140 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8103583007 [0,0,0,1,0,0|1,0,2]=4 1141 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8275418154 [0,0,0,1,0,0|1,0,2]=4 1142 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [0,0,0,1,0,0|2,0,0]=3 1143 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [0,0,0,1,0,0|1,0,0]=2 1144 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [0,0,0,1,0,0|1,0,0]=2 1145 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [0,0,0,1,0,0|2,0,0]=3 1146 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [0,0,0,1,0,0|3,0,0]=4 1147 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [0,0,0,1,0,0|3,0,0]=4 1148 B9R1.6 CC(=O)C1CCCOC1 MCULE-8355092375 [0,0,0,1,0,0|3,0,0]=4 1149 B9R1.6 CC(=O)C1CCNCC1 MCULE-5629644359 [0,0,0,1,0,0|3,0,0]=4 1150 B9R1.6 CC(=O)C1CCNCC1 MCULE-7994490746 [0,0,0,1,0,0|3,0,0]=4 1151 B9R1.6 CC(=O)C1CCOCC1 MCULE-4829713073 [0,0,0,1,0,0|3,0,0]=4 1152 B9R1.6 CC(=O)C1CCSCC1 MCULE-1825777359 [0,0,0,1,0,0|3,0,0]=4 1153 B9R1.6 CC(=O)C1CNCCO1 MCULE-1332213026 [0,0,0,1,0,0|3,0,0]=4 1154 B9R1.6 CC(=O)C1CNCCO1 MCULE-8599628301 [0,0,0,1,0,0|3,0,0]=4 1155 B9R1.6 CC(=O)C1COCCO1 MCULE-5168266299 [0,0,0,1,0,0|3,0,0]=4 1156 B9R1.6 CC(=O)N1CCCCC1 MCULE-2376049669 [0,0,0,1,0,0|3,0,0]=4 1157 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [0,0,0,1,0,0|1,0,0]=2 1158 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [0,0,0,1,0,0|1,0,0]=2 1159 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [0,0,0,1,0,0|1,0,0]=2 1160 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [0,0,0,1,0,0|1,0,0]=2 1161 B9R1.6 CC(C)C1CCCCN1 MCULE-3649476695 [0,0,0,1,0,0|2,0,1]=4 1162 B9R1.6 CC(C)C1CCCCN1 MCULE-8304532068 [0,0,0,1,0,0|2,0,1]=4 1163 B9R1.6 CC(N)C1CCCCN1 MCULE-2177574791 [0,0,0,1,0,0|2,0,1]=4 1164 B9R1.6 CC(O)C1CCCCC1 MCULE-5078012753 [0,0,0,1,0,0|2,0,1]=4 1165 B9R1.6 CC(O)C1CCCCN1 MCULE-2559324365 [0,0,0,1,0,0|1,0,1]=3 1166 B9R1.6 CC(O)C1CNCCN1 MCULE-7562437820 [0,0,0,1,0,0|2,0,1]=4 1167 B9R1.6 CS(=O)C1CCCCC1 MCULE-4263908685 [0,0,0,1,0,0|3,0,0]=4 1168 B9R1.6 C[C@@H](O)C1CCCCC1 MCULE-4304404236 [0,0,0,1,0,0|2,0,1]=4 1169 B9R1.6 C[C@@H](O)C1CCCCC1 MCULE-7854211857 [0,0,0,1,0,0|2,0,1]=4 1170 B9R1.6 C[C@@H](O)[C@H]1CNCCN1 MCULE-2168214783 [0,0,0,1,0,0|2,0,1]=4 1171 B9R1.6 C[C@@H](O)[C@H]1CNCCN1 MCULE-8290718551 [0,0,0,1,0,0|2,0,1]=4 1172 B9R1.6 C[C@H](O)C1CCCCC1 MCULE-9702860419 [0,0,0,1,0,0|2,0,1]=4 1173 B9R1.6 FC(F)C1CCCCN1 MCULE-6330116488 [0,0,0,1,0,0|2,0,1]=4 1174 B9R1.6 FC(F)C1CCCCN1 MCULE-6975833618 [0,0,0,1,0,0|2,0,1]=4 1175 B9R1.6 N=C(N)C1CCCCC1 MCULE-3107787417 [0,0,0,1,0,0|3,0,0]=4 1176 B9R1.6 N=C(N)C1CCCCC1 MCULE-9030561972 [0,0,0,1,0,0|3,0,0]=4 1177 B9R1.6 N=C(N)C1CCCCN1 MCULE-3219883116 [0,0,0,1,0,0|2,0,0]=3 1178 B9R1.6 N=C(N)C1CCCCN1 MCULE-8067475683 [0,0,0,1,0,0|2,0,0]=3 1179 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [0,0,0,1,0,0|2,0,0]=3 1180 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [0,0,0,1,0,0|1,0,0]=2 1181 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [0,0,0,1,0,0|1,0,0]=2 1182 B9R1.6 NC(=O)C1CCCNC1 MCULE-1833696438 [0,0,0,1,0,0|3,0,0]=4 1183 B9R1.6 NC(=O)C1CCCNC1 MCULE-5902080067 [0,0,0,1,0,0|3,0,0]=4 1184 B9R1.6 NC(=O)C1CCCOC1 MCULE-3754898627 [0,0,0,1,0,0|3,0,0]=4 1185 B9R1.6 NC(=O)C1CCNCC1 MCULE-8206211805 [0,0,0,1,0,0|3,0,0]=4 1186 B9R1.6 NC(=O)C1CCNCC1 MCULE-8840746533 [0,0,0,1,0,0|3,0,0]=4 1187 B9R1.6 NC(=O)C1CCOCC1 MCULE-1626473774 [0,0,0,1,0,0|3,0,0]=4 1188 B9R1.6 NC(=O)C1CNCCN1 MCULE-6032361805 [0,0,0,1,0,0|2,0,0]=3 1189 B9R1.6 NC(=O)C1CNCCN1 MCULE-7459621704 [0,0,0,1,0,0|2,0,0]=3 1190 B9R1.6 NC(=O)C1CNCCO1 MCULE-7045289444 [0,0,0,1,0,0|3,0,0]=4 1191 B9R1.6 NC(=O)C1CNCCO1 MCULE-8403360257 [0,0,0,1,0,0|3,0,0]=4 1192 B9R1.6 NC(=O)C1CNCCO1 MCULE-8477654103 [0,0,0,1,0,0|3,0,0]=4 1193 B9R1.6 NC(=O)C1COCCN1 MCULE-3997305592 [0,0,0,1,0,0|2,0,0]=3 1194 B9R1.6 NC(=O)C1COCCN1 MCULE-8679226087 [0,0,0,1,0,0|2,0,0]=3 1195 B9R1.6 NC(=O)C1CSCCN1 MCULE-5519659168 [0,0,0,1,0,0|2,0,0]=3 1196 B9R1.6 NC(=O)N1CCCCC1 MCULE-9935688246 [0,0,0,1,0,0|3,0,0]=4 1197 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-1302948446 [0,0,0,1,0,0|3,0,0]=4 1198 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-3790099707 [0,0,0,1,0,0|3,0,0]=4 1199 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-4105759578 [0,0,0,1,0,0|3,0,0]=4 1200 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-6022899132 [0,0,0,1,0,0|3,0,0]=4 1201 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3203472135 [0,0,0,1,0,0|2,0,0]=3 1202 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3866777440 [0,0,0,1,0,0|2,0,0]=3 1203 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-6105431602 [0,0,0,1,0,0|2,0,0]=3 1204 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-7727900968 [0,0,0,1,0,0|2,0,0]=3 1205 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [0,0,0,1,0,0|1,0,0]=2 1206 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-3568267883 [0,0,0,1,0,0|3,0,0]=4 1207 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-6403292667 [0,0,0,1,0,0|3,0,0]=4 1208 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-7433087477 [0,0,0,1,0,0|3,0,0]=4 1209 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-9069766695 [0,0,0,1,0,0|3,0,0]=4 1210 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-1527418805 [0,0,0,1,0,0|2,0,0]=3 1211 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-6529490056 [0,0,0,1,0,0|2,0,0]=3 1212 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-9894216692 [0,0,0,1,0,0|2,0,0]=3 1213 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-1904729907 [0,0,0,1,0,0|2,0,0]=3 1214 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7069433109 [0,0,0,1,0,0|2,0,0]=3 1215 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7970834070 [0,0,0,1,0,0|2,0,0]=3 1216 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-9117686776 [0,0,0,1,0,0|2,0,0]=3 1217 B9R1.6 NC(=S)C1CCCCC1 MCULE-8109334870 [0,0,0,1,0,0|2,1,0]=4 1218 B9R1.6 O=C(Cl)C1=CCCCC1 MCULE-8228686007 [0,0,0,1,0,0|2,0,1]=4 1219 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [0,0,0,1,0,0|2,0,0]=3 1220 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [0,0,0,1,0,0|2,0,0]=3 1221 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-6549888109 [0,0,0,1,0,0|3,0,0]=4 1222 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-7154842850 [0,0,0,1,0,0|3,0,0]=4 1223 B9R1.6 O=C(Cl)C1CCOCC1 MCULE-5435965006 [0,0,0,1,0,0|3,0,0]=4 1224 B9R1.6 O=C(Cl)C1CCSCC1 MCULE-2089111376 [0,0,0,1,0,0|3,0,0]=4 1225 B9R1.6 O=C(Cl)N1CCCCC1 MCULE-8197895576 [0,0,0,1,0,0|3,0,0]=4 1226 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,0,0,1,0,0|1,0,1]=3 1227 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [0,0,0,1,0,0|1,0,2]=4 1228 B9R1.6 O=C(O)C1=CCCNC1 MCULE-7878143035 [0,0,0,1,0,0|2,0,1]=4 1229 B9R1.6 O=C(O)C1=CCCNC1 MCULE-9382105537 [0,0,0,1,0,0|2,0,1]=4 1230 B9R1.6 O=C(O)C1=CCCOC1 MCULE-4597846034 [0,0,0,1,0,0|2,0,1]=4 1231 B9R1.6 O=C(O)C1=CCCSC1 MCULE-6991730217 [0,0,0,1,0,0|2,0,1]=4 1232 B9R1.6 O=C(O)C1=CCNCC1 MCULE-7813592729 [0,0,0,1,0,0|2,0,1]=4 1233 B9R1.6 O=C(O)C1=CCNCC1 MCULE-9446043448 [0,0,0,1,0,0|2,0,1]=4 1234 B9R1.6 O=C(O)C1=CCOCC1 MCULE-8602474600 [0,0,0,1,0,0|2,0,1]=4 1235 B9R1.6 O=C(O)C1=COCCC1 MCULE-4203786677 [0,0,0,1,0,0|2,0,1]=4 1236 B9R1.6 O=C(O)C1=NNCCC1 MCULE-7500831474 [0,0,0,1,0,0|1,0,2]=4 1237 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [0,0,0,1,0,0|1,0,1]=3 1238 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [0,0,0,1,0,0|1,0,2]=4 1239 B9R1.6 O=C(O)C1CC=CCO1 MCULE-5751437850 [0,0,0,1,0,0|1,0,2]=4 1240 B9R1.6 O=C(O)C1CCC=CO1 MCULE-6447977583 [0,0,0,1,0,0|1,0,2]=4 1241 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,0,0,1,0,0|1,0,0]=2 1242 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,0,0,1,0,0|0,0,0]=1 1243 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,0,0,1,0,0|0,0,0]=1 1244 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,0,0,1,0,0|0,0,0]=1 1245 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,0,0,1,0,0|0,0,0]=1 1246 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,0,0,1,0,0|1,0,0]=2 1247 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,0,0,1,0,0|1,0,0]=2 1248 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [0,0,0,1,0,0|2,0,0]=3 1249 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [0,0,0,1,0,0|2,0,0]=3 1250 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [0,0,0,1,0,0|2,0,0]=3 1251 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [0,0,0,1,0,0|1,0,0]=2 1252 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [0,0,0,1,0,0|1,0,0]=2 1253 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [0,0,0,1,0,0|2,0,0]=3 1254 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,0,0,1,0,0|2,0,0]=3 1255 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,0,0,1,0,0|2,0,0]=3 1256 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,0,0,1,0,0|2,0,0]=3 1257 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,0,0,1,0,0|2,0,0]=3 1258 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,0,0,1,0,0|1,0,0]=2 1259 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,0,0,1,0,0|1,0,0]=2 1260 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,0,0,1,0,0|2,0,0]=3 1261 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,0,0,1,0,0|1,0,0]=2 1262 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,0,0,1,0,0|1,0,0]=2 1263 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [0,0,0,1,0,0|1,0,0]=2 1264 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [0,0,0,1,0,0|1,0,0]=2 1265 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [0,0,0,1,0,0|1,0,0]=2 1266 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [0,0,0,1,0,0|2,0,0]=3 1267 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [0,0,0,1,0,0|2,0,0]=3 1268 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [0,0,0,1,0,0|2,0,0]=3 1269 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [0,0,0,1,0,0|2,0,0]=3 1270 B9R1.6 O=C(O)C1CNCCS1 MCULE-3981762124 [0,0,0,1,0,0|2,0,0]=3 1271 B9R1.6 O=C(O)C1CNCCS1 MCULE-4631923202 [0,0,0,1,0,0|2,0,0]=3 1272 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [0,0,0,1,0,0|1,0,0]=2 1273 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [0,0,0,1,0,0|1,0,0]=2 1274 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [0,0,0,1,0,0|2,0,0]=3 1275 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [0,0,0,1,0,0|2,0,0]=3 1276 B9R1.6 O=C(O)C1COCOC1 MCULE-4867087023 [0,0,0,1,0,0|3,0,0]=4 1277 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [0,0,0,1,0,0|1,0,0]=2 1278 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [0,0,0,1,0,0|1,0,0]=2 1279 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [0,0,0,1,0,0|2,0,0]=3 1280 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [0,0,0,1,0,0|1,0,0]=2 1281 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [0,0,0,1,0,0|2,0,0]=3 1282 B9R1.6 O=C(O)C1SCCCS1 MCULE-6447130734 [0,0,0,1,0,0|2,0,0]=3 1283 B9R1.6 O=C(O)C1SCSCS1 MCULE-6847986458 [0,0,0,1,0,0|3,0,0]=4 1284 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,0,0,1,0,0|2,0,0]=3 1285 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,0,0,1,0,0|2,0,0]=3 1286 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [0,0,0,1,0,0|3,0,0]=4 1287 B9R1.6 O=C(O)N1CCOCC1 MCULE-7938310937 [0,0,0,1,0,0|3,0,0]=4 1288 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [0,0,0,1,0,0|3,0,0]=4 1289 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [0,0,0,1,0,0|1,0,2]=4 1290 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [0,0,0,1,0,0|1,0,2]=4 1291 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,0,0,1,0,0|0,0,0]=1 1292 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,0,0,1,0,0|0,0,0]=1 1293 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,0,0,1,0,0|0,0,0]=1 1294 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,0,0,1,0,0|0,0,0]=1 1295 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,0,0,1,0,0|1,0,0]=2 1296 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,0,0,1,0,0|1,0,0]=2 1297 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [0,0,0,1,0,0|2,0,0]=3 1298 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [0,0,0,1,0,0|2,0,0]=3 1299 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [0,0,0,1,0,0|2,0,0]=3 1300 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [0,0,0,1,0,0|2,0,0]=3 1301 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [0,0,0,1,0,0|1,0,0]=2 1302 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [0,0,0,1,0,0|1,0,0]=2 1303 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [0,0,0,1,0,0|1,0,0]=2 1304 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [0,0,0,1,0,0|2,0,0]=3 1305 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [0,0,0,1,0,0|2,0,0]=3 1306 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [0,0,0,1,0,0|1,0,0]=2 1307 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [0,0,0,1,0,0|1,0,0]=2 1308 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [0,0,0,1,0,0|1,0,0]=2 1309 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [0,0,0,1,0,0|1,0,0]=2 1310 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [0,0,0,1,0,0|2,0,0]=3 1311 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [0,0,0,1,0,0|2,0,0]=3 1312 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [0,0,0,1,0,0|2,0,0]=3 1313 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [0,0,0,1,0,0|2,0,0]=3 1314 B9R1.6 O=C(O)[C@@H]1CNCCS1 MCULE-6650545170 [0,0,0,1,0,0|2,0,0]=3 1315 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [0,0,0,1,0,0|1,0,0]=2 1316 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [0,0,0,1,0,0|1,0,0]=2 1317 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [0,0,0,1,0,0|1,0,0]=2 1318 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [0,0,0,1,0,0|1,0,0]=2 1319 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [0,0,0,1,0,0|2,0,0]=3 1320 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [0,0,0,1,0,0|2,0,0]=3 1321 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [0,0,0,1,0,0|1,0,0]=2 1322 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [0,0,0,1,0,0|1,0,0]=2 1323 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [0,0,0,1,0,0|1,0,0]=2 1324 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [0,0,0,1,0,0|1,0,2]=4 1325 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [0,0,0,1,0,0|1,0,2]=4 1326 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,0,0,1,0,0|0,0,0]=1 1327 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,0,0,1,0,0|0,0,0]=1 1328 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,0,0,1,0,0|0,0,0]=1 1329 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,0,0,1,0,0|0,0,0]=1 1330 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,0,0,1,0,0|1,0,0]=2 1331 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,0,0,1,0,0|1,0,0]=2 1332 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [0,0,0,1,0,0|2,0,0]=3 1333 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [0,0,0,1,0,0|2,0,0]=3 1334 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [0,0,0,1,0,0|2,0,0]=3 1335 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [0,0,0,1,0,0|2,0,0]=3 1336 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [0,0,0,1,0,0|1,0,0]=2 1337 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [0,0,0,1,0,0|1,0,0]=2 1338 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [0,0,0,1,0,0|2,0,0]=3 1339 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [0,0,0,1,0,0|2,0,0]=3 1340 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,0,0,1,0,0|2,0,0]=3 1341 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [0,0,0,1,0,0|1,0,0]=2 1342 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [0,0,0,1,0,0|1,0,0]=2 1343 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [0,0,0,1,0,0|1,0,0]=2 1344 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [0,0,0,1,0,0|1,0,0]=2 1345 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [0,0,0,1,0,0|1,0,0]=2 1346 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [0,0,0,1,0,0|2,0,0]=3 1347 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [0,0,0,1,0,0|2,0,0]=3 1348 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [0,0,0,1,0,0|2,0,0]=3 1349 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [0,0,0,1,0,0|2,0,0]=3 1350 B9R1.6 O=C(O)[C@H]1CNCCS1 MCULE-7818958113 [0,0,0,1,0,0|2,0,0]=3 1351 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [0,0,0,1,0,0|1,0,0]=2 1352 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [0,0,0,1,0,0|1,0,0]=2 1353 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [0,0,0,1,0,0|1,0,0]=2 1354 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [0,0,0,1,0,0|1,0,0]=2 1355 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [0,0,0,1,0,0|2,0,0]=3 1356 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [0,0,0,1,0,0|2,0,0]=3 1357 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [0,0,0,1,0,0|1,0,0]=2 1358 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [0,0,0,1,0,0|1,0,0]=2 1359 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [0,0,0,1,0,0|1,0,0]=2 1360 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [0,0,0,1,0,0|1,0,1]=3 1361 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [0,0,0,1,0,0|0,0,1]=2 1362 B9R1.6 O=N(=O)C1CCCCC1 MCULE-6198799449 [0,0,0,1,0,0|2,0,1]=4 1363 B9R1.6 O=S(O)C1CCCCC1 MCULE-2447383910 [0,0,0,1,0,0|2,0,0]=3 1364 B9R1.6 O=S([O-])C1CCCCC1 MCULE-4340070525 [0,0,0,1,0,0|2,0,1]=4 1365 B9R1.6 OB(O)C1CCCCC1 MCULE-7463281328 [0,0,0,1,0,0|2,0,1]=4 1366 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [0,0,0,1,0,0|1,0,0]=2 1367 B9R1.23 CN1CC(OC1=O)CBr MCULE-4776102856 [0,0,0,1,0,0|3,0,0]=4 1368 B9R1.23 CN1CC(OC1=O)CO MCULE-5538633197 [0,0,0,1,0,0|3,0,0]=4 1369 B9R1.23 CN1C[C@@H](OC1=O)CBr MCULE-3550491195 [0,0,0,1,0,0|3,0,0]=4 1370 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4135827262 [0,0,0,1,0,0|3,0,0]=4 1371 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4222195719 [0,0,0,1,0,0|3,0,0]=4 1372 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-1843344905 [0,0,0,1,0,0|3,0,0]=4 1373 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-7113883697 [0,0,0,1,0,0|3,0,0]=4 1374 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-5673899033 [0,0,0,1,0,0|3,0,0]=4 1375 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-7788246551 [0,0,0,1,0,0|3,0,0]=4 1376 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,0|2,0,1]=4 1377 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,0|2,0,1]=4 1378 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,0,0,1,0,0|2,0,0]=3 1379 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,0,0,1,0,0|2,0,0]=3 1380 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,1,0,0|1,0,2]=4 1381 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [0,0,0,1,0,0|3,0,0]=4 1382 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,1,0,0|2,0,1]=4 1383 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,0,0|0,0,2]=3 1384 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,0,0|0,0,2]=3 1385 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [0,0,0,1,0,0|1,0,2]=4 1386 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,0,0,1,0,0|2,0,0]=3 1387 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,1,0,0|1,0,0]=2 1388 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,0,0,1,0,0|0,0,0]=1 1389 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,0,0,1,0,0|0,0,0]=1 1390 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,1,0,0|1,0,0]=2 1391 B9R1.35 CC1CCN(C1)C(=O)Cl MCULE-4918001156 [0,0,0,1,0,0|3,0,0]=4 1392 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,1,0,0|2,0,0]=3 1393 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,1,0,0|2,0,0]=3 1394 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,0,0,1,0,0|2,0,0]=3 1395 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [0,0,0,1,0,0|1,0,0]=2 1396 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [0,0,0,1,0,0|1,0,0]=2 1397 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,0,0,1,0,0|2,0,0]=3 1398 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,0,0,1,0,0|2,0,0]=3 1399 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,0,0,1,0,0|2,0,0]=3 1400 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,0,0,1,0,0|2,0,0]=3 1401 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,0,0,1,0,0|2,0,0]=3 1402 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,0,0,1,0,0|2,0,0]=3 1403 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,0,0,1,0,0|2,0,0]=3 1404 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,0,0,1,0,0|2,0,0]=3 1405 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,0,0,1,0,0|0,0,0]=1 1406 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,0,0,1,0,0|0,0,0]=1 1407 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,1,0,0|1,0,0]=2 1408 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,1,0,0|1,0,0]=2 1409 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,0,0,1,0,0|0,0,0]=1 1410 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,0,0,1,0,0|0,0,0]=1 1411 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,0,0,1,0,0|0,0,0]=1 1412 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,0,0,1,0,0|0,0,0]=1 1413 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,0,0,1,0,0|0,0,0]=1 1414 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,0,0,1,0,0|0,0,0]=1 1415 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,1,0,0|2,0,0]=3 1416 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,1,0,0|2,0,0]=3 1417 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,1,0,0|2,0,0]=3 1418 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,1,0,0|2,0,0]=3 1419 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,0,0,1,0,0|0,0,0]=1 1420 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,0,0,1,0,0|0,0,0]=1 1421 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,0,0,1,0,0|0,0,0]=1 1422 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,0,0,1,0,0|0,0,0]=1 1423 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,1,0,0|2,0,0]=3 1424 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,1,0,0|2,0,0]=3 1425 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,1,0,0|2,0,0]=3 1426 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,1,0,0|2,0,0]=3 1427 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,0,0,1,0,0|2,0,1]=4 1428 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,0,0,1,0,0|2,0,1]=4 1429 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,0,0,1,0,0|2,0,1]=4 1430 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [0,0,0,1,0,0|3,0,0]=4 1431 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [0,0,0,1,0,0|3,0,0]=4 1432 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,0,0,1,0,0|2,0,0]=3 1433 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,0,0,1,0,0|2,0,0]=3 1434 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,0,0,1,0,0|3,0,0]=4 1435 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,0,0,1,0,0|3,0,0]=4 1436 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,0,0,1,0,0|2,0,0]=3 1437 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,0,0,1,0,0|2,0,0]=3 1438 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,0,0,1,0,0|2,0,0]=3 1439 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,0,0,1,0,0|2,0,0]=3 1440 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,0,0,1,0,0|2,0,0]=3 1441 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,0,0,1,0,0|2,0,0]=3 1442 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,0,0,1,0,0|2,0,0]=3 1443 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,0,0,1,0,0|2,0,0]=3 1444 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,0,0,1,0,0|3,0,0]=4 1445 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,0,0,1,0,0|3,0,0]=4 1446 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,0,0,1,0,0|3,0,0]=4 1447 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,0,0,1,0,0|3,0,0]=4 1448 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,0,0,1,0,0|3,0,0]=4 1449 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,0,0,1,0,0|3,0,0]=4 1450 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,0,0,1,0,0|3,0,0]=4 1451 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,0,0,1,0,0|3,0,0]=4 1452 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,0,0,1,0,0|2,0,0]=3 1453 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,0,0,1,0,0|2,0,0]=3 1454 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,0,0,1,0,0|2,0,0]=3 1455 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,0,0,1,0,0|2,0,0]=3 1456 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,0,0,1,0,0|2,0,0]=3 1457 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,0,0,1,0,0|2,0,0]=3 1458 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,0,0,1,0,0|2,0,0]=3 1459 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,0,0,1,0,0|2,0,0]=3 1460 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,0,0,1,0,0|2,0,0]=3 1461 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,0,0,1,0,0|2,0,0]=3 1462 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,0,0,1,0,0|3,0,0]=4 1463 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,0,0,1,0,0|3,0,0]=4 1464 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,0,0,1,0,0|3,0,0]=4 1465 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,0,0,1,0,0|3,0,0]=4 1466 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,0,0,1,0,0|3,0,0]=4 1467 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,0,0,1,0,0|3,0,0]=4 1468 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,0,0,1,0,0|3,0,0]=4 1469 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,0,0,1,0,0|3,0,0]=4 1470 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,0,0,1,0,0|3,0,0]=4 1471 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,0,0,1,0,0|2,0,1]=4 1472 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,0,0,1,0,0|3,0,0]=4 1473 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,0,0,1,0,0|3,0,0]=4 1474 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,0,0,1,0,0|3,0,0]=4 1475 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,0|3,0,0]=4 1476 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,0|3,0,0]=4 1477 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,0,0,1,0,0|3,0,0]=4 1478 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,0,0,1,0,0|3,0,0]=4 1479 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,0,0,1,0,0|2,0,0]=3 1480 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,0,0,1,0,0|2,0,0]=3 1481 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,0|2,0,0]=3 1482 B9R1.35 O=C(O)C1CSC(=S)N1 MCULE-1769481962 [0,0,0,1,0,0|2,0,1]=4 1483 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,0,0,1,0,0|3,0,0]=4 1484 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,0|3,0,0]=4 1485 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,0,0,1,0,0|3,0,0]=4 1486 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,0,0,1,0,0|3,0,0]=4 1487 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,0|2,0,0]=3 1488 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,0|2,0,0]=3 1489 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,0|2,0,0]=3 1490 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-3331947152 [0,0,0,1,0,0|2,0,1]=4 1491 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-7575485678 [0,0,0,1,0,0|2,0,1]=4 1492 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,0,0,1,0,0|3,0,0]=4 1493 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,0,0,1,0,0|3,0,0]=4 1494 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,0,0,1,0,0|3,0,0]=4 1495 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,0,0,1,0,0|3,0,0]=4 1496 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,0,0,1,0,0|3,0,0]=4 1497 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,0,0,1,0,0|3,0,0]=4 1498 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,0|3,0,0]=4 1499 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,0|3,0,0]=4 1500 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,0|3,0,0]=4 1501 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,0|3,0,0]=4 1502 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,0|3,0,0]=4 1503 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,0,0,1,0,0|3,0,0]=4 1504 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,0,0,1,0,0|3,0,0]=4 1505 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,0,0,1,0,0|3,0,0]=4 1506 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,0,0,1,0,0|3,0,0]=4 1507 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,0,0,1,0,0|3,0,0]=4 1508 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,0,0,1,0,0|3,0,0]=4 1509 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,0,0,1,0,0|3,0,0]=4 1510 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,0,0,1,0,0|3,0,0]=4 1511 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,0|3,0,0]=4 1512 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,0|3,0,0]=4 1513 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,0|3,0,0]=4 1514 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,0|3,0,0]=4 1515 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,0,0,1,0,0|3,0,0]=4 1516 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,0,0,1,0,0|3,0,0]=4 1517 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,0,0,1,0,0|3,0,0]=4 1518 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,0,0,1,0,0|3,0,0]=4 1519 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,0,0,1,0,0|3,0,0]=4 1520 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,0,0,1,0,0|3,0,0]=4 1521 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,0|2,0,0]=3 1522 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,0|2,0,0]=3 1523 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,0|2,0,0]=3 1524 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,0,0,1,0,0|3,0,0]=4 1525 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,0,0,1,0,0|3,0,0]=4 1526 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,0,0,1,0,0|3,0,0]=4 1527 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,0|3,0,0]=4 1528 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,0|3,0,0]=4 1529 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,0|3,0,0]=4 1530 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,0|3,0,0]=4 1531 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,0|3,0,0]=4 1532 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,0,0,1,0,0|3,0,0]=4 1533 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,0,0,1,0,0|3,0,0]=4 1534 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,0,0,1,0,0|3,0,0]=4 1535 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,0,0,1,0,0|3,0,0]=4 1536 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,0|3,0,0]=4 1537 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,0|3,0,0]=4 1538 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,0|3,0,0]=4 1539 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,0|3,0,0]=4 1540 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,0|2,0,1]=4 1541 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,0,0,1,0,0|2,0,1]=4 1542 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,0|1,0,1]=3 1543 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,0|1,0,1]=3 1544 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,0,0,1,0,0|1,0,2]=4 1545 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,0|2,0,1]=4 1546 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,0,0|2,0,1]=4 1547 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,0|2,0,1]=4 1548 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,0|2,0,1]=4 1549 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,0|1,0,1]=3 1550 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,0|1,0,1]=3 1551 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,0|2,0,1]=4 1552 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,0|2,0,1]=4 1553 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,0|2,0,1]=4 1554 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,0|2,0,1]=4 1555 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,0|1,0,1]=3 1556 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,0|1,0,1]=3 1557 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,0|1,0,1]=3 1558 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,0,0,1,0,0|1,0,2]=4 1559 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,0,0,1,0,0|1,0,2]=4 1560 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,0|2,0,1]=4 1561 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,0|2,0,1]=4 1562 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,0,0|2,0,1]=4 1563 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,0|2,0,1]=4 1564 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,1,0,0|2,0,1]=4 1565 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,1,0,0|2,0,1]=4 1566 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,1,0,0|2,0,1]=4 1567 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,1,0,0|2,0,1]=4 1568 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,1,0,0|2,0,1]=4 1569 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,1,0,0|2,0,1]=4 1570 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,0|2,0,1]=4 1571 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,0|2,0,1]=4 1572 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,1,0,0|2,0,1]=4 1573 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,1,0,0|2,0,1]=4 1574 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,0|2,0,1]=4 1575 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,0|2,0,1]=4 1576 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,1,0,0|2,0,1]=4 1577 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,1,0,0|3,0,0]=4 1578 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,0,0,1,0,0|2,0,0]=3 1579 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,0,0,1,0,0|2,0,0]=3 1580 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,0,0,1,0,0|3,0,0]=4 1581 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,0,0,1,0,0|3,0,0]=4 1582 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,0,0,1,0,0|3,0,0]=4 1583 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,0,0,1,0,0|3,0,0]=4 1584 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,0,0,1,0,0|3,0,0]=4 1585 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,1,0,0|3,0,0]=4 1586 B9R1.40 C1(CCCCC1(F)F)N MCULE-2272642766 [0,0,0,1,0,0|2,0,1]=4 1587 B9R1.40 C1(CCCCC1(F)F)N MCULE-2805377498 [0,0,0,1,0,0|2,0,1]=4 1588 B9R1.40 CC1(CCCCC1N)C MCULE-5951764286 [0,0,0,1,0,0|2,0,1]=4 1589 B9R1.40 CC1(CCCCC1N)O MCULE-5300265774 [0,0,0,1,0,0|1,0,1]=3 1590 B9R1.40 NC1CCCCC1(F)F MCULE-6087305147 [0,0,0,1,0,0|2,0,1]=4 1591 B9R1.40 NC1CCCCC1(F)F MCULE-7710786653 [0,0,0,1,0,0|2,0,1]=4 1592 B9R1.40 N[C@@H]1CCCCC1(F)F MCULE-3305282256 [0,0,0,1,0,0|2,0,1]=4 1593 B9R1.40 N[C@@H]1CCCCC1(F)F MCULE-5464520416 [0,0,0,1,0,0|2,0,1]=4 1594 B9R1.40 N[C@@H]1CCCCC1(F)F MCULE-6396604034 [0,0,0,1,0,0|2,0,1]=4 1595 B9R1.40 N[C@@H]1CCCCC1(F)F MCULE-9996787741 [0,0,0,1,0,0|2,0,1]=4 1596 B9R1.40 N[C@H]1CCCCC1(F)F MCULE-2339284258 [0,0,0,1,0,0|2,0,1]=4 1597 B9R1.40 N[C@H]1CCCCC1(F)F MCULE-2735093239 [0,0,0,1,0,0|2,0,1]=4 1598 B9R1.40 N[C@H]1CCCCC1(F)F MCULE-8769925997 [0,0,0,1,0,0|2,0,1]=4 1599 B9R1.40 N[C@H]1CCCCC1(F)F MCULE-9241412975 [0,0,0,1,0,0|2,0,1]=4 1600 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,0,0,1,0,0|0,0,2]=3 1601 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [0,0,0,1,0,0|1,0,0]=2 1602 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [0,0,0,1,0,0|1,0,0]=2 1603 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [0,0,0,1,0,0|1,0,0]=2 1604 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [0,0,0,1,0,0|1,0,0]=2 1605 B9R1.59 CCOC1CC1C(=O)O MCULE-2083001018 [0,0,0,1,0,0|2,0,0]=3 1606 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O MCULE-4372225112 [0,0,0,1,0,0|2,0,0]=3 1607 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O MCULE-5085446325 [0,0,0,1,0,0|2,0,0]=3 1608 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [0,0,0,1,0,0|2,0,0]=3 1609 B9R1.69 CC1CC(=O)C(CN1)C MCULE-5034091059 [0,0,0,1,0,0|3,0,0]=4 1610 B9R1.69 CC1CC(=O)C(CN1)C MCULE-7684286370 [0,0,0,1,0,0|3,0,0]=4 1611 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [0,0,0,1,0,0|2,0,0]=3 1612 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,0,0,1,0,0|1,0,0]=2 1613 B9R1.69 CC1CCC(C(C1)C)N MCULE-8155557981 [0,0,0,1,0,0|2,0,1]=4 1614 B9R1.69 CC1CCC(C(C1)O)C MCULE-8174479267 [0,0,0,1,0,0|2,0,1]=4 1615 B9R1.69 CC1CCC(C(N1)C)N MCULE-4753292681 [0,0,0,1,0,0|2,0,1]=4 1616 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-1197510372 [0,0,0,1,0,0|3,0,0]=4 1617 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-1474096689 [0,0,0,1,0,0|3,0,0]=4 1618 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-4763044155 [0,0,0,1,0,0|3,0,0]=4 1619 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-8537746266 [0,0,0,1,0,0|3,0,0]=4 1620 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,0,0,1,0,0|2,0,1]=4 1621 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,0,0,1,0,0|2,0,1]=4 1622 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,0,0,1,0,0|2,0,1]=4 1623 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,0,0,1,0,0|2,0,1]=4 1624 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,0,0,1,0,0|2,0,1]=4 1625 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,0,0,1,0,0|2,0,1]=4 1626 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,0,0,1,0,0|2,0,1]=4 1627 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,0,0,1,0,0|2,0,1]=4 1628 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,0,0,1,0,0|2,0,1]=4 1629 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,0,0,1,0,0|2,0,1]=4 1630 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,0,0,1,0,0|2,0,1]=4 1631 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,0,0,1,0,0|2,0,1]=4 1632 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [0,0,0,1,0,0|0,0,2]=3 1633 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,0,0,1,0,0|0,0,0]=1 1634 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,0,0,1,0,0|1,0,0]=2 1635 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,0,0,1,0,0|1,0,0]=2 1636 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [0,0,0,1,0,0|2,0,0]=3 1637 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [0,0,0,1,0,0|2,0,0]=3 1638 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [0,0,0,1,0,0|2,0,0]=3 1639 B9R1.95 COC1CC(C1)C(=O)C MCULE-5091337590 [0,0,0,1,0,0|3,0,0]=4 1640 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,0,0,1,0,0|2,0,0]=3 1641 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,0,0,1,0,0|2,0,0]=3 1642 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,0,0,1,0,0|2,0,0]=3 1643 B9R1.95 N#CC1CC(C1)C(=O)O MCULE-9043105457 [0,0,0,1,0,0|2,0,1]=4 1644 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,0,0,1,0,0|2,0,0]=3 1645 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,0,0,1,0,0|2,0,0]=3 1646 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,0,0,1,0,0|2,0,0]=3 1647 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,0,0,1,0,0|2,0,0]=3 1648 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,0,0,1,0,0|2,0,0]=3 1649 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,0,0,1,0,0|2,0,0]=3 1650 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,0,0,1,0,0|2,0,0]=3 1651 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,0,0,1,0,0|2,0,0]=3 1652 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,0,0,1,0,0|2,0,0]=3 1653 B9R1.95 O=C([O-])[C@H]1C[C@@H](C1)CO MCULE-8717273234 [0,0,0,1,0,0|2,0,1]=4 1654 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,0,0,1,0,0|0,0,0]=1 1655 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [0,0,0,1,0,0|1,0,0]=2 1656 B9R1.110 C=C(C(=O)O)C1CCC1 MCULE-2578265979 [0,0,0,1,0,0|1,0,1]=3 1657 B9R1.110 CC(=C1CCC1)C(=O)O MCULE-8904503252 [0,0,0,1,0,0|1,0,2]=4 1658 B9R1.110 CC(=O)N(C)C1CCC1 MCULE-6997854698 [0,0,0,1,0,0|3,0,0]=4 1659 B9R1.110 CC(C(=O)N)C1CNC1 MCULE-8664603287 [0,0,0,1,0,0|3,0,0]=4 1660 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,0,0,1,0,0|1,0,0]=2 1661 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,0,0,1,0,0|1,0,0]=2 1662 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [0,0,0,1,0,0|2,0,0]=3 1663 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-3425038216 [0,0,0,1,0,0|2,0,0]=3 1664 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-8368638713 [0,0,0,1,0,0|2,0,0]=3 1665 B9R1.110 CC(C(=O)O)C1COC1 MCULE-1438881074 [0,0,0,1,0,0|2,0,0]=3 1666 B9R1.110 CC(C(=O)O)N1CCC1 MCULE-9923940575 [0,0,0,1,0,0|2,0,0]=3 1667 B9R1.110 CC(C)C(N)C1CCC1 MCULE-3337597801 [0,0,0,1,0,0|2,0,1]=4 1668 B9R1.110 CN(C(=O)Cl)C1CCC1 MCULE-6620618396 [0,0,0,1,0,0|3,0,0]=4 1669 B9R1.110 NC(=O)C(N)C1CCC1 MCULE-3518352563 [0,0,0,1,0,0|1,0,0]=2 1670 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,0,0,1,0,0|0,0,0]=1 1671 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,0,0,1,0,0|0,0,0]=1 1672 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [0,0,0,1,0,0|1,0,0]=2 1673 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,0,0,1,0,0|0,0,0]=1 1674 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,0,0,1,0,0|0,0,0]=1 1675 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,0,0,1,0,0|0,0,0]=1 1676 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,0,0,1,0,0|0,0,0]=1 1677 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [0,0,0,1,0,0|1,0,0]=2 1678 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [0,0,0,1,0,0|1,0,0]=2 1679 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,0,0,1,0,0|0,0,0]=1 1680 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,0,0,1,0,0|0,0,0]=1 1681 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,0,0,1,0,0|0,0,0]=1 1682 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [0,0,0,1,0,0|1,0,0]=2 1683 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [0,0,0,1,0,0|1,0,0]=2 1684 B9R1.110 O=C(O)C(=C1CCC1)F MCULE-3335084975 [0,0,0,1,0,0|1,0,2]=4 1685 B9R1.110 O=C(O)C(=O)C1CCC1 MCULE-3680158952 [0,0,0,1,0,0|1,0,1]=3 1686 B9R1.110 O=C(O)C(=O)N1CCC1 MCULE-2155911842 [0,0,0,1,0,0|2,0,1]=4 1687 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,0,0,1,0,0|1,0,0]=2 1688 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,0,0,1,0,0|1,0,0]=2 1689 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,0,0,1,0,0|1,0,0]=2 1690 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,0,0,1,0,0|1,0,0]=2 1691 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,0,0,1,0,0|1,0,0]=2 1692 B9R1.112 C/C(=C\C1CC1)/C(=O)O MCULE-1913340747 [0,0,0,1,0,0|1,0,2]=4 1693 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [0,0,0,1,0,0|1,0,0]=2 1694 B9R1.112 CC(SC1CC1)C(=O)O MCULE-6918133296 [0,0,0,1,0,0|2,0,0]=3 1695 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [0,0,0,1,0,0|2,0,0]=3 1696 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [0,0,0,1,0,0|2,0,0]=3 1697 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-3167502244 [0,0,0,1,0,0|1,0,0]=2 1698 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-8140131300 [0,0,0,1,0,0|1,0,0]=2 1699 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-4142673004 [0,0,0,1,0,0|1,0,0]=2 1700 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-6535973441 [0,0,0,1,0,0|1,0,0]=2 1701 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,0,0,1,0,0|0,0,0]=1 1702 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,0,0,1,0,0|0,0,0]=1 1703 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,0,0,1,0,0|0,0,0]=1 1704 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,0,0,1,0,0|0,0,0]=1 1705 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,0,0,1,0,0|0,0,0]=1 1706 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,0,0,1,0,0|0,0,0]=1 1707 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,0,0,1,0,0|0,0,0]=1 1708 B9R1.112 O=C(O)C(=CC1CC1)F MCULE-7624994357 [0,0,0,1,0,0|1,0,2]=4 1709 B9R1.112 O=C(O)C(=O)CC1CC1 MCULE-2914009662 [0,0,0,1,0,0|1,0,1]=3 1710 B9R1.112 O=C(O)C(=O)NC1CC1 MCULE-7988086119 [0,0,0,1,0,0|2,0,1]=4 1711 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [0,0,0,1,0,0|1,0,0]=2 1712 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [0,0,0,1,0,0|1,0,0]=2 1713 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [0,0,0,1,0,0|1,0,0]=2 1714 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [0,0,0,1,0,0|1,0,0]=2 1715 B9R1.135 CCOC1CC(=O)C1C MCULE-6272881556 [0,0,0,1,0,0|3,0,0]=4 1716 B9R1.135 CCOC1CC(=O)C1Cl MCULE-3624754111 [0,0,0,1,0,0|3,0,0]=4 1717 B9R1.163 CC(=O)C1(CCCC1)C MCULE-7946764519 [0,0,0,1,0,0|2,0,0]=3 1718 B9R1.163 CC(=O)C1(CCCC1)N MCULE-1766488888 [0,0,0,1,0,0|1,0,0]=2 1719 B9R1.163 CC(=O)C1(CCCC1)N MCULE-2390313394 [0,0,0,1,0,0|1,0,0]=2 1720 B9R1.163 CC(=O)C1(CCCC1)O MCULE-4607553416 [0,0,0,1,0,0|2,0,0]=3 1721 B9R1.163 CC(=O)C1(CCCO1)C MCULE-3832225855 [0,0,0,1,0,0|3,0,0]=4 1722 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [0,0,0,1,0,0|1,0,2]=4 1723 B9R1.163 CC1(CC=CC1)C(=O)O MCULE-6612456038 [0,0,0,1,0,0|1,0,2]=4 1724 B9R1.163 CC1(CCCC1)C(=O)Cl MCULE-6905026517 [0,0,0,1,0,0|2,0,0]=3 1725 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,0,0,1,0,0|1,0,0]=2 1726 B9R1.163 CC1(CCCN1)C(=O)N MCULE-1073156492 [0,0,0,1,0,0|3,0,0]=4 1727 B9R1.163 CC1(CCCN1)C(=O)N MCULE-4207908355 [0,0,0,1,0,0|3,0,0]=4 1728 B9R1.163 CC1(CCCN1)C(=O)N MCULE-5102556329 [0,0,0,1,0,0|3,0,0]=4 1729 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [0,0,0,1,0,0|2,0,0]=3 1730 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [0,0,0,1,0,0|2,0,0]=3 1731 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [0,0,0,1,0,0|2,0,0]=3 1732 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [0,0,0,1,0,0|2,0,0]=3 1733 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [0,0,0,1,0,0|2,0,0]=3 1734 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [0,0,0,1,0,0|2,0,0]=3 1735 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [0,0,0,1,0,0|2,0,0]=3 1736 B9R1.163 CC1(CCNC1)C(=O)N MCULE-9618767565 [0,0,0,1,0,0|3,0,0]=4 1737 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [0,0,0,1,0,0|2,0,0]=3 1738 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [0,0,0,1,0,0|2,0,0]=3 1739 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [0,0,0,1,0,0|2,0,0]=3 1740 B9R1.163 CC1(CSSC1)C(=O)O MCULE-1267186189 [0,0,0,1,0,0|3,0,0]=4 1741 B9R1.163 CC1(NCCS1)C(=O)O MCULE-3303237869 [0,0,0,1,0,0|3,0,0]=4 1742 B9R1.163 CC1(OCCO1)C(=O)O MCULE-6576803543 [0,0,0,1,0,0|3,0,0]=4 1743 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [0,0,0,1,0,0|2,0,0]=3 1744 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [0,0,0,1,0,0|2,0,0]=3 1745 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [0,0,0,1,0,0|2,0,0]=3 1746 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [0,0,0,1,0,0|2,0,0]=3 1747 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [0,0,0,1,0,0|2,0,0]=3 1748 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [0,0,0,1,0,0|2,0,0]=3 1749 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [0,0,0,1,0,0|2,0,0]=3 1750 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [0,0,0,1,0,0|2,0,0]=3 1751 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-4783754920 [0,0,0,1,0,0|3,0,0]=4 1752 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-7441682522 [0,0,0,1,0,0|3,0,0]=4 1753 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-8011663424 [0,0,0,1,0,0|3,0,0]=4 1754 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [0,0,0,1,0,0|2,0,0]=3 1755 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [0,0,0,1,0,0|2,0,0]=3 1756 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [0,0,0,1,0,0|2,0,0]=3 1757 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [0,0,0,1,0,0|2,0,0]=3 1758 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [0,0,0,1,0,0|2,0,0]=3 1759 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [0,0,0,1,0,0|2,0,0]=3 1760 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [0,0,0,1,0,0|2,0,0]=3 1761 B9R1.163 NC(=O)C1(CCCC1)N MCULE-1603183997 [0,0,0,1,0,0|1,0,0]=2 1762 B9R1.163 NC(=O)C1(CCCC1)N MCULE-6535833155 [0,0,0,1,0,0|1,0,0]=2 1763 B9R1.163 NC(=O)C1(CCCC1)O MCULE-7750018506 [0,0,0,1,0,0|2,0,0]=3 1764 B9R1.163 NC(=O)C1(CCNC1)F MCULE-2967472132 [0,0,0,1,0,0|3,0,0]=4 1765 B9R1.163 NC(=O)C1(CCNC1)O MCULE-3402125568 [0,0,0,1,0,0|3,0,0]=4 1766 B9R1.163 NC(=O)C1(CCNC1)O MCULE-4107989965 [0,0,0,1,0,0|3,0,0]=4 1767 B9R1.163 NC(=O)C1(CCSC1)N MCULE-1255795217 [0,0,0,1,0,0|2,0,0]=3 1768 B9R1.163 NC(=O)C1(CCSC1)O MCULE-2351837625 [0,0,0,1,0,0|3,0,0]=4 1769 B9R1.163 NC(=S)C1(CCCC1)N MCULE-1374309481 [0,0,0,1,0,0|1,1,0]=3 1770 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-1445980877 [0,0,0,1,0,0|0,0,2]=3 1771 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-5381827504 [0,0,0,1,0,0|0,0,2]=3 1772 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,0,0,1,0,0|0,0,0]=1 1773 B9R1.163 NC1(CCCC1)C(F)F MCULE-1697400122 [0,0,0,1,0,0|2,0,1]=4 1774 B9R1.163 NC1(CCCC1)C(F)F MCULE-9463138858 [0,0,0,1,0,0|2,0,1]=4 1775 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [0,0,0,1,0,0|1,0,0]=2 1776 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [0,0,0,1,0,0|1,0,0]=2 1777 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [0,0,0,1,0,0|1,0,0]=2 1778 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [0,0,0,1,0,0|1,0,0]=2 1779 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [0,0,0,1,0,0|1,0,0]=2 1780 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [0,0,0,1,0,0|1,0,0]=2 1781 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [0,0,0,1,0,0|1,0,0]=2 1782 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [0,0,0,1,0,0|1,0,0]=2 1783 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [0,0,0,1,0,0|1,0,0]=2 1784 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [0,0,0,1,0,0|1,0,0]=2 1785 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [0,0,0,1,0,0|1,0,0]=2 1786 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [0,0,0,1,0,0|1,0,0]=2 1787 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [0,0,0,1,0,0|1,0,0]=2 1788 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [0,0,0,1,0,0|1,0,0]=2 1789 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [0,0,0,1,0,0|1,0,0]=2 1790 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [0,0,0,1,0,0|1,0,0]=2 1791 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,0,0,1,0,0|1,0,0]=2 1792 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,0,0,1,0,0|1,0,0]=2 1793 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,0,0,1,0,0|1,0,0]=2 1794 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [0,0,0,1,0,0|2,0,0]=3 1795 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [0,0,0,1,0,0|2,0,0]=3 1796 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [0,0,0,1,0,0|2,0,0]=3 1797 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [0,0,0,1,0,0|2,0,0]=3 1798 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [0,0,0,1,0,0|2,0,0]=3 1799 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [0,0,0,1,0,0|2,0,0]=3 1800 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [0,0,0,1,0,0|2,0,0]=3 1801 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [0,0,0,1,0,0|2,0,0]=3 1802 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [0,0,0,0,0,1|0,0,2]=3 1803 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [0,0,0,0,0,1|0,0,2]=3 1804 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [0,0,0,0,0,1|3,0,0]=4 1805 B9R0.4 CCCCC(=O)CC(=O)C MCULE-9961207967 [0,0,0,0,0,1|2,0,1]=4 1806 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,0,0,0,0,1|1,0,0]=2 1807 B9R0.4 CCCCC(C)OC(=O)Cl MCULE-3267128498 [0,0,0,0,0,1|2,0,0]=3 1808 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,0,0,0,0,1|0,0,0]=1 1809 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,0,0,0,0,1|0,0,0]=1 1810 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,0,0,0,0,1|1,0,0]=2 1811 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,0,0,0,0,1|0,0,0]=1 1812 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,0,0,0,0,1|1,0,0]=2 1813 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,0,0,0,0,1|0,0,0]=1 1814 B9R0.4 COCCN(C)CC(=O)O MCULE-2440763888 [0,0,0,0,0,1|3,0,0]=4 1815 B9R0.4 COCCN(C)CC(=O)O MCULE-6319676297 [0,0,0,0,0,1|3,0,0]=4 1816 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,0,0,0,0,1|1,0,0]=2 1817 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,0,0,0,0,1|1,0,0]=2 1818 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,0,0,0,0,1|2,0,0]=3 1819 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,0,0,0,0,1|1,0,0]=2 1820 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,0,0,0,0,1|1,0,0]=2 1821 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,0,0,0,0,1|1,0,0]=2 1822 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,0,0,0,0,1|1,0,0]=2 1823 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,0,0,0,0,1|1,0,0]=2 1824 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,0,0,0,0,1|1,0,0]=2 1825 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,0,0,0,0,1|1,0,0]=2 1826 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,0,0,0,0,1|1,0,0]=2 1827 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,0,0,0,0,1|1,0,0]=2 1828 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,0,0,0,0,1|1,0,0]=2 1829 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,0,0,0,0,1|1,0,0]=2 1830 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,0,0,0,0,1|1,0,0]=2 1831 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,0,0,0,0,1|1,0,0]=2 1832 B9R0.4 [N-]=[N+]=NC[C@@H](N)CC(=O)O MCULE-2831741781 [0,0,0,0,0,1|3,0,0]=4 1833 B6R0.1 C#CC(N)CCC MCULE-1649795667 [2,0,0,0,0,0|1,0,1]=4 1834 B6R0.1 C#CC(N)CCC MCULE-4074347601 [2,0,0,0,0,0|1,0,1]=4 1835 B6R0.1 C=CC(C)CCC MCULE-2692803387 [2,0,0,0,0,0|2,0,0]=4 1836 B6R0.1 C=CC(N)CCO MCULE-7781906138 [2,0,0,0,0,0|2,0,0]=4 1837 B6R0.1 C=CC(N)COC MCULE-3217346081 [2,0,0,0,0,0|2,0,0]=4 1838 B6R0.1 C=CC(O)CCC MCULE-3664453040 [2,0,0,0,0,0|2,0,0]=4 1839 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [2,0,0,0,0,0|1,0,1]=4 1840 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [2,0,0,0,0,0|1,0,1]=4 1841 B6R0.1 CCCC(C)C=O MCULE-9756444218 [2,0,0,0,0,0|1,0,0]=3 1842 B6R0.1 CCCC(C)CO MCULE-9777250826 [2,0,0,0,0,0|1,0,1]=4 1843 B6R0.1 CCCC(N)C#N MCULE-6830545935 [2,0,0,0,0,0|1,0,1]=4 1844 B6R0.1 CCCC(N)C#N MCULE-9818121096 [2,0,0,0,0,0|1,0,1]=4 1845 B6R0.1 CCCC(N)CC MCULE-5349906741 [2,0,0,0,0,0|1,0,1]=4 1846 B6R0.1 CCCC(N)CC MCULE-7172418373 [2,0,0,0,0,0|1,0,1]=4 1847 B6R0.1 CCCC(N)CN MCULE-8606218569 [2,0,0,0,0,0|1,0,1]=4 1848 B6R0.1 CCCC(N)CO MCULE-3404967504 [2,0,0,0,0,0|0,0,1]=3 1849 B6R0.1 CCCC(N)CO MCULE-3802448518 [2,0,0,0,0,0|0,0,1]=3 1850 B6R0.1 CCCC(N)CO MCULE-4259078445 [2,0,0,0,0,0|0,0,1]=3 1851 B6R0.1 CCCC(N)CO MCULE-6425025734 [2,0,0,0,0,0|0,0,1]=3 1852 B6R0.1 CCCC(O)CO MCULE-5124107719 [2,0,0,0,0,0|1,0,1]=4 1853 B6R0.1 CCC[C@@H](N)CF MCULE-4702552251 [2,0,0,0,0,0|1,0,1]=4 1854 B6R0.1 CCC[C@@H](N)CF MCULE-8118043624 [2,0,0,0,0,0|1,0,1]=4 1855 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [2,0,0,0,0,0|0,0,1]=3 1856 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [2,0,0,0,0,0|0,0,1]=3 1857 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [2,0,0,0,0,0|0,0,1]=3 1858 B6R0.1 CCC[C@H](N)CF MCULE-7192744944 [2,0,0,0,0,0|1,0,1]=4 1859 B6R0.1 CCC[C@H](N)CF MCULE-7441387613 [2,0,0,0,0,0|1,0,1]=4 1860 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [2,0,0,0,0,0|0,0,1]=3 1861 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [2,0,0,0,0,0|0,0,1]=3 1862 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [2,0,0,0,0,0|0,0,1]=3 1863 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [2,0,0,0,0,0|0,0,1]=3 1864 B6R0.1 COCC(C)C=O MCULE-7679332713 [2,0,0,0,0,0|2,0,0]=4 1865 B6R0.1 COCC(N)CO MCULE-2141613120 [2,0,0,0,0,0|1,0,1]=4 1866 B6R0.1 COCC(N)CO MCULE-3194232042 [2,0,0,0,0,0|1,0,1]=4 1867 B6R0.1 COCC(N)CO MCULE-6545937769 [2,0,0,0,0,0|1,0,1]=4 1868 B6R0.1 COCC(N)CO MCULE-7989665777 [2,0,0,0,0,0|1,0,1]=4 1869 B6R0.1 COC[C@@H](N)CO MCULE-2792470078 [2,0,0,0,0,0|1,0,1]=4 1870 B6R0.1 COC[C@@H](N)CO MCULE-3805343572 [2,0,0,0,0,0|1,0,1]=4 1871 B6R0.1 COC[C@@H](N)CO MCULE-7953239910 [2,0,0,0,0,0|1,0,1]=4 1872 B6R0.1 COC[C@@H](N)CO MCULE-9178553914 [2,0,0,0,0,0|1,0,1]=4 1873 B6R0.1 COC[C@H](N)CO MCULE-1678153673 [2,0,0,0,0,0|1,0,1]=4 1874 B6R0.1 COC[C@H](N)CO MCULE-2304967280 [2,0,0,0,0,0|1,0,1]=4 1875 B6R0.1 COC[C@H](N)CO MCULE-6509090198 [2,0,0,0,0,0|1,0,1]=4 1876 B6R0.1 COC[C@H](N)CO MCULE-9806530206 [2,0,0,0,0,0|1,0,1]=4 1877 B6R0.1 NC(CO)CCF MCULE-3691993352 [2,0,0,0,0,0|1,0,1]=4 1878 B6R0.1 NC(CO)CCO MCULE-3703088648 [2,0,0,0,0,0|1,0,1]=4 1879 B6R0.1 NC(CO)CCO MCULE-7609576462 [2,0,0,0,0,0|1,0,1]=4 1880 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [2,0,0,0,0,0|1,0,1]=4 1881 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [2,0,0,0,0,0|1,0,1]=4 1882 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [2,0,0,0,0,0|1,0,1]=4 1883 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [2,0,0,0,0,0|1,0,1]=4 1884 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [2,0,0,0,0,0|0,0,2]=4 1885 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [2,0,0,0,0,0|0,0,2]=4 1886 B6R0.4 C=C(C)CCCC MCULE-1010177756 [2,0,0,0,0,0|1,0,1]=4 1887 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [2,0,0,0,0,0|0,0,2]=4 1888 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [2,0,0,0,0,0|0,0,2]=4 1889 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [2,0,0,0,0,0|2,0,0]=4 1890 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [2,0,0,0,0,0|2,0,0]=4 1891 B6R0.4 CC(=O)CCCO MCULE-1335342150 [2,0,0,0,0,0|2,0,0]=4 1892 B6R0.4 CC(N)CCCN MCULE-4857113826 [2,0,0,0,0,0|1,0,1]=4 1893 B6R0.4 CC(N)CCCN MCULE-4899798325 [2,0,0,0,0,0|1,0,1]=4 1894 B6R0.4 CC(N)CCCO MCULE-6629535696 [2,0,0,0,0,0|1,0,1]=4 1895 B6R0.4 CC(O)CCCBr MCULE-5477662754 [2,0,0,0,0,0|2,0,0]=4 1896 B6R0.4 CC(O)CCCCl MCULE-6993728810 [2,0,0,0,0,0|2,0,0]=4 1897 B6R0.4 CC(O)CCCN MCULE-3754805134 [2,0,0,0,0,0|2,0,0]=4 1898 B6R0.4 CC(O)CCCO MCULE-6580326052 [2,0,0,0,0,0|2,0,0]=4 1899 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [2,0,0,0,0,0|0,0,2]=4 1900 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [2,0,0,0,0,0|0,0,2]=4 1901 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [2,0,0,0,0,0|0,0,2]=4 1902 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [2,0,0,0,0,0|0,0,2]=4 1903 B6R0.4 CCCCB(O)O MCULE-9002672645 [2,0,0,0,0,0|1,0,1]=4 1904 B6R0.4 CCCCC(=N)N MCULE-3271993509 [2,0,0,0,0,0|1,0,1]=4 1905 B6R0.4 CCCCC(=N)N MCULE-3935017760 [2,0,0,0,0,0|1,0,1]=4 1906 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [2,0,0,0,0,0|1,0,0]=3 1907 B6R0.4 CCCCC(=O)C MCULE-3554390184 [2,0,0,0,0,0|1,0,0]=3 1908 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [2,0,0,0,0,0|1,0,0]=3 1909 B6R0.4 CCCCC(=O)N MCULE-6419483436 [2,0,0,0,0,0|0,0,1]=3 1910 B6R0.4 CCCCC(=O)O MCULE-2333640078 [2,0,0,0,0,0|0,0,0]=2 1911 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [2,0,0,0,0,0|0,0,1]=3 1912 B6R0.4 CCCCC(=S)N MCULE-8236760762 [2,0,0,0,0,0|0,1,1]=4 1913 B6R0.4 CCCCC(C)Br MCULE-3252474574 [2,0,0,0,0,0|1,0,1]=4 1914 B6R0.4 CCCCC(C)C MCULE-7568461039 [2,0,0,0,0,0|1,0,1]=4 1915 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [2,0,0,0,0,0|1,0,1]=4 1916 B6R0.4 CCCCC(C)N MCULE-5349371506 [2,0,0,0,0,0|0,0,1]=3 1917 B6R0.4 CCCCC(C)N MCULE-6696490028 [2,0,0,0,0,0|0,0,1]=3 1918 B6R0.4 CCCCC(C)O MCULE-6558228722 [2,0,0,0,0,0|1,0,0]=3 1919 B6R0.4 CCCCC(C)S MCULE-4791681848 [2,0,0,0,0,0|1,0,1]=4 1920 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [2,0,0,0,0,0|1,0,1]=4 1921 B6R0.4 CCCCN(C)N MCULE-7927159797 [2,0,0,0,0,0|1,0,1]=4 1922 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [2,0,0,0,0,0|1,0,1]=4 1923 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [2,0,0,0,0,0|1,0,1]=4 1924 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [2,0,0,0,0,0|0,0,1]=3 1925 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [2,0,0,0,0,0|0,0,1]=3 1926 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [2,0,0,0,0,0|1,0,0]=3 1927 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [2,0,0,0,0,0|1,0,0]=3 1928 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [2,0,0,0,0,0|0,0,1]=3 1929 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [2,0,0,0,0,0|0,0,1]=3 1930 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [2,0,0,0,0,0|1,0,0]=3 1931 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [2,0,0,0,0,0|1,0,0]=3 1932 B6R0.4 CCCNC(=O)C MCULE-5899703886 [2,0,0,0,0,0|2,0,0]=4 1933 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [2,0,0,0,0,0|2,0,0]=4 1934 B6R0.4 CCCNC(=O)N MCULE-8528844765 [2,0,0,0,0,0|1,0,1]=4 1935 B6R0.4 CCCOC(=O)C MCULE-7327042566 [2,0,0,0,0,0|2,0,0]=4 1936 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [2,0,0,0,0,0|2,0,0]=4 1937 B6R0.4 CCCOC(=O)N MCULE-2760622567 [2,0,0,0,0,0|1,0,1]=4 1938 B6R0.4 CCCSC(=O)C MCULE-4329646671 [2,0,0,0,0,0|2,0,0]=4 1939 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [2,0,0,0,0,0|2,0,0]=4 1940 B6R0.4 CCNCC(=O)C MCULE-5799315547 [2,0,0,0,0,0|2,0,0]=4 1941 B6R0.4 CCNCC(=O)C MCULE-9258294157 [2,0,0,0,0,0|2,0,0]=4 1942 B6R0.4 CCNCC(=O)N MCULE-1787248899 [2,0,0,0,0,0|1,0,1]=4 1943 B6R0.4 CCNCC(=O)N MCULE-3821700273 [2,0,0,0,0,0|1,0,1]=4 1944 B6R0.4 CCNCC(=O)O MCULE-5989480216 [2,0,0,0,0,0|1,0,0]=3 1945 B6R0.4 CCNCC(=O)O MCULE-8087863397 [2,0,0,0,0,0|1,0,0]=3 1946 B6R0.4 CCNCC(C)O MCULE-5078068369 [2,0,0,0,0,0|2,0,0]=4 1947 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [2,0,0,0,0,0|2,0,0]=4 1948 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [2,0,0,0,0,0|2,0,0]=4 1949 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [2,0,0,0,0,0|2,0,0]=4 1950 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [2,0,0,0,0,0|2,0,0]=4 1951 B6R0.4 CCOCC(=O)C MCULE-2825677443 [2,0,0,0,0,0|2,0,0]=4 1952 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [2,0,0,0,0,0|2,0,0]=4 1953 B6R0.4 CCOCC(=O)O MCULE-1726530898 [2,0,0,0,0,0|1,0,0]=3 1954 B6R0.4 CCOCC(C)N MCULE-8540668261 [2,0,0,0,0,0|1,0,1]=4 1955 B6R0.4 CCOCC(C)N MCULE-8720228996 [2,0,0,0,0,0|1,0,1]=4 1956 B6R0.4 CCOCC(C)O MCULE-6224339526 [2,0,0,0,0,0|2,0,0]=4 1957 B6R0.4 CCOC[C@@H](C)N MCULE-7053460047 [2,0,0,0,0,0|1,0,1]=4 1958 B6R0.4 CCOC[C@@H](C)N MCULE-9865800502 [2,0,0,0,0,0|1,0,1]=4 1959 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [2,0,0,0,0,0|2,0,0]=4 1960 B6R0.4 CCOC[C@H](C)N MCULE-2897416804 [2,0,0,0,0,0|1,0,1]=4 1961 B6R0.4 CCOC[C@H](C)N MCULE-6799267946 [2,0,0,0,0,0|1,0,1]=4 1962 B6R0.4 CCSCC(=O)C MCULE-9872082780 [2,0,0,0,0,0|2,0,0]=4 1963 B6R0.4 CCSCC(=O)O MCULE-7471335718 [2,0,0,0,0,0|1,0,0]=3 1964 B6R0.4 CCSCC(C)N MCULE-3399255190 [2,0,0,0,0,0|1,0,1]=4 1965 B6R0.4 CNCCC(=O)N MCULE-1118876220 [2,0,0,0,0,0|1,0,1]=4 1966 B6R0.4 CNCCC(=O)N MCULE-6679713144 [2,0,0,0,0,0|1,0,1]=4 1967 B6R0.4 CNCCC(=O)O MCULE-3627988097 [2,0,0,0,0,0|1,0,0]=3 1968 B6R0.4 CNCCC(=O)O MCULE-9858204248 [2,0,0,0,0,0|1,0,0]=3 1969 B6R0.4 CNCCC(C)N MCULE-5955505029 [2,0,0,0,0,0|1,0,1]=4 1970 B6R0.4 CNCCC(C)N MCULE-8933967952 [2,0,0,0,0,0|1,0,1]=4 1971 B6R0.4 CNCCC(C)O MCULE-1615526002 [2,0,0,0,0,0|2,0,0]=4 1972 B6R0.4 CNCC[C@@H](C)N MCULE-6024494304 [2,0,0,0,0,0|1,0,1]=4 1973 B6R0.4 CNCC[C@H](C)N MCULE-5449372796 [2,0,0,0,0,0|1,0,1]=4 1974 B6R0.4 CNCC[C@H](C)N MCULE-8157402351 [2,0,0,0,0,0|1,0,1]=4 1975 B6R0.4 COCCC(=O)C MCULE-5939812376 [2,0,0,0,0,0|2,0,0]=4 1976 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [2,0,0,0,0,0|2,0,0]=4 1977 B6R0.4 COCCC(=O)N MCULE-7556483675 [2,0,0,0,0,0|1,0,1]=4 1978 B6R0.4 COCCC(=O)O MCULE-3436347115 [2,0,0,0,0,0|1,0,0]=3 1979 B6R0.4 COCCC(C)N MCULE-6183216923 [2,0,0,0,0,0|1,0,1]=4 1980 B6R0.4 COCCC(C)O MCULE-6536001437 [2,0,0,0,0,0|2,0,0]=4 1981 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [2,0,0,0,0,0|1,0,1]=4 1982 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [2,0,0,0,0,0|1,0,1]=4 1983 B6R0.4 CSCCC(=O)C MCULE-6178663156 [2,0,0,0,0,0|2,0,0]=4 1984 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [2,0,0,0,0,0|2,0,0]=4 1985 B6R0.4 CSCCC(=O)N MCULE-7105035733 [2,0,0,0,0,0|1,0,1]=4 1986 B6R0.4 CSCCC(=O)O MCULE-9550032941 [2,0,0,0,0,0|1,0,0]=3 1987 B6R0.4 CSCCC(C)N MCULE-3925048385 [2,0,0,0,0,0|1,0,1]=4 1988 B6R0.4 CSCCC(C)O MCULE-5934844952 [2,0,0,0,0,0|2,0,0]=4 1989 B6R0.4 CSSCC(=O)O MCULE-5829510166 [2,0,0,0,0,0|2,0,0]=4 1990 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [2,0,0,0,0,0|1,0,1]=4 1991 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [2,0,0,0,0,0|2,0,0]=4 1992 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [2,0,0,0,0,0|1,0,1]=4 1993 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [2,0,0,0,0,0|1,0,1]=4 1994 B6R0.4 NC(=O)CCCO MCULE-3779341561 [2,0,0,0,0,0|1,0,1]=4 1995 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [2,0,0,0,0,0|2,0,0]=4 1996 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [2,0,0,0,0,0|2,0,0]=4 1997 B6R0.4 NCCCC(=O)N MCULE-8039142092 [2,0,0,0,0,0|1,0,1]=4 1998 B6R0.4 NCCCC(=O)N MCULE-8262250872 [2,0,0,0,0,0|1,0,1]=4 1999 B6R0.4 NCCCC(=O)O MCULE-3615304273 [2,0,0,0,0,0|1,0,0]=3 2000 B6R0.4 NCCCC(=O)O MCULE-7613134021 [2,0,0,0,0,0|1,0,0]=3 2001 B6R0.4 NOCCC(=O)O MCULE-1529492904 [2,0,0,0,0,0|2,0,0]=4 2002 B6R0.4 NOCCC(=O)O MCULE-6297331357 [2,0,0,0,0,0|2,0,0]=4 2003 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [2,0,0,0,0,0|2,0,0]=4 2004 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [2,0,0,0,0,0|2,0,0]=4 2005 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [2,0,0,0,0,0|1,0,0]=3 2006 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [2,0,0,0,0,0|1,0,0]=3 2007 B6R0.4 O=C(O)CCCF MCULE-2415675768 [2,0,0,0,0,0|1,0,0]=3 2008 B6R0.4 O=C(O)CCCI MCULE-7794841553 [2,0,0,0,0,0|1,0,0]=3 2009 B6R0.4 O=C(O)CCCS MCULE-3352840152 [2,0,0,0,0,0|1,0,0]=3 2010 B6R0.4 O=C(O)CNCO MCULE-4092998319 [2,0,0,0,0,0|2,0,0]=4 2011 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [2,0,0,0,0,0|1,0,1]=4 2012 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [2,0,0,0,0,0|1,0,1]=4 2013 B6R0.6 C#CCCCC=O MCULE-4075029417 [2,0,0,0,0,0|0,0,2]=4 2014 B6R0.6 C#CCCCCC MCULE-7776756434 [2,0,0,0,0,0|1,0,1]=4 2015 B6R0.6 C/C=C/CCCC MCULE-6900331316 [2,0,0,0,0,0|1,0,1]=4 2016 B6R0.6 C/C=C\CCCC MCULE-8426867799 [2,0,0,0,0,0|1,0,1]=4 2017 B6R0.6 C=CCCCC=O MCULE-8676840281 [2,0,0,0,0,0|0,0,2]=4 2018 B6R0.6 C=CCCCCBr MCULE-4313298656 [2,0,0,0,0,0|2,0,0]=4 2019 B6R0.6 C=CCCCCC MCULE-5868303078 [2,0,0,0,0,0|1,0,0]=3 2020 B6R0.6 C=CCCCCCl MCULE-7600727876 [2,0,0,0,0,0|2,0,0]=4 2021 B6R0.6 C=CCCCCI MCULE-5694143061 [2,0,0,0,0,0|2,0,0]=4 2022 B6R0.6 C=CCCCCN MCULE-1489231988 [2,0,0,0,0,0|2,0,0]=4 2023 B6R0.6 C=CCCCCN MCULE-4288584778 [2,0,0,0,0,0|2,0,0]=4 2024 B6R0.6 C=CCCCCO MCULE-3631432277 [2,0,0,0,0,0|2,0,0]=4 2025 B6R0.6 C=CCCCNC MCULE-6696525157 [2,0,0,0,0,0|2,0,0]=4 2026 B6R0.6 C=CCCCNC MCULE-7417274044 [2,0,0,0,0,0|2,0,0]=4 2027 B6R0.6 C=CCNCCC MCULE-4239068147 [2,0,0,0,0,0|2,0,0]=4 2028 B6R0.6 C=CCNCCC MCULE-9778489216 [2,0,0,0,0,0|2,0,0]=4 2029 B6R0.6 C=CCSCCC MCULE-3855352363 [2,0,0,0,0,0|2,0,0]=4 2030 B6R0.6 C=COCCCC MCULE-2025922328 [2,0,0,0,0,0|2,0,0]=4 2031 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [2,0,0,0,0,0|0,0,2]=4 2032 B6R0.6 CC=CCCCC MCULE-7277981733 [2,0,0,0,0,0|1,0,1]=4 2033 B6R0.6 CCC#CCC=O MCULE-4049790039 [2,0,0,0,0,0|0,0,2]=4 2034 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [2,0,0,0,0,0|0,0,2]=4 2035 B6R0.6 CCC=CCC=O MCULE-5764198290 [2,0,0,0,0,0|0,0,2]=4 2036 B6R0.6 CCCC=CC=O MCULE-5273169296 [2,0,0,0,0,0|0,0,2]=4 2037 B6R0.6 CCCCCC#N MCULE-7596791521 [2,0,0,0,0,0|1,0,1]=4 2038 B6R0.6 CCCCCC=O MCULE-6770578514 [2,0,0,0,0,0|0,0,0]=2 2039 B6R0.6 CCCCCCBr MCULE-6022503394 [2,0,0,0,0,0|1,0,1]=4 2040 B6R0.6 CCCCCCC MCULE-5817084747 [2,0,0,0,0,0|1,0,1]=4 2041 B6R0.6 CCCCCCCl MCULE-3706149525 [2,0,0,0,0,0|1,0,1]=4 2042 B6R0.6 CCCCCCF MCULE-4320903575 [2,0,0,0,0,0|1,0,1]=4 2043 B6R0.6 CCCCCCI MCULE-1021236615 [2,0,0,0,0,0|1,0,1]=4 2044 B6R0.6 CCCCCCN MCULE-2944455155 [2,0,0,0,0,0|1,0,1]=4 2045 B6R0.6 CCCCCCN MCULE-6014217174 [2,0,0,0,0,0|1,0,1]=4 2046 B6R0.6 CCCCCCN MCULE-6021451227 [2,0,0,0,0,0|1,0,1]=4 2047 B6R0.6 CCCCCCO MCULE-4299150163 [2,0,0,0,0,0|0,0,1]=3 2048 B6R0.6 CCCCCCS MCULE-5962964855 [2,0,0,0,0,0|0,1,1]=4 2049 B6R0.6 CCCCCNC MCULE-8082703734 [2,0,0,0,0,0|2,0,0]=4 2050 B6R0.6 CCCCCNN MCULE-5089668540 [2,0,0,0,0,0|2,0,0]=4 2051 B6R0.6 CCCCCNN MCULE-7265120524 [2,0,0,0,0,0|2,0,0]=4 2052 B6R0.6 CCCCCOC MCULE-3370181741 [2,0,0,0,0,0|2,0,0]=4 2053 B6R0.6 CCCCCON MCULE-5372426564 [2,0,0,0,0,0|2,0,0]=4 2054 B6R0.6 CCCCCON MCULE-8557641459 [2,0,0,0,0,0|2,0,0]=4 2055 B6R0.6 CCCCCSC MCULE-6566108868 [2,0,0,0,0,0|2,0,0]=4 2056 B6R0.6 CCCCN=C=O MCULE-3381327717 [2,0,0,0,0,0|1,0,1]=4 2057 B6R0.6 CCCCNC=O MCULE-8821792924 [2,0,0,0,0,0|1,0,0]=3 2058 B6R0.6 CCCCOC=O MCULE-4633421026 [2,0,0,0,0,0|1,0,0]=3 2059 B6R0.6 CCCCON=O MCULE-9992790020 [2,0,0,0,0,0|2,0,0]=4 2060 B6R0.6 CCCNCCO MCULE-4813687741 [2,0,0,0,0,0|1,0,1]=4 2061 B6R0.6 CCCOCCO MCULE-3263526264 [2,0,0,0,0,0|1,0,1]=4 2062 B6R0.6 CCCSCCO MCULE-8371796663 [2,0,0,0,0,0|1,0,1]=4 2063 B6R0.6 CCNCCCO MCULE-3251610052 [2,0,0,0,0,0|1,0,1]=4 2064 B6R0.6 CCOCCC=O MCULE-1664130148 [2,0,0,0,0,0|1,0,0]=3 2065 B6R0.6 CCOCCCO MCULE-3077567484 [2,0,0,0,0,0|1,0,1]=4 2066 B6R0.6 CCSCCC=O MCULE-2493452950 [2,0,0,0,0,0|1,0,0]=3 2067 B6R0.6 CCSCCCO MCULE-6719011943 [2,0,0,0,0,0|1,0,1]=4 2068 B6R0.6 CNCCCCO MCULE-9264393637 [2,0,0,0,0,0|1,0,1]=4 2069 B6R0.6 COCCCC=O MCULE-2055914202 [2,0,0,0,0,0|1,0,0]=3 2070 B6R0.6 COCCCCO MCULE-2543196930 [2,0,0,0,0,0|1,0,1]=4 2071 B6R0.6 COCCCCO MCULE-8659106280 [2,0,0,0,0,0|1,0,1]=4 2072 B6R0.6 COCCNC=O MCULE-9003279073 [2,0,0,0,0,0|2,0,0]=4 2073 B6R0.6 CSCCCC=O MCULE-6353729217 [2,0,0,0,0,0|1,0,0]=3 2074 B6R0.6 CSCCCCO MCULE-1045422424 [2,0,0,0,0,0|1,0,1]=4 2075 B6R0.6 NCCCCCO MCULE-8877250712 [2,0,0,0,0,0|1,0,1]=4 2076 B6R0.6 NCCCCNO MCULE-6478748569 [2,0,0,0,0,0|2,0,0]=4 2077 B6R0.6 NCCCNC=O MCULE-9651299205 [2,0,0,0,0,0|2,0,0]=4 2078 B6R0.6 O=CCCCC=O MCULE-6802048757 [2,0,0,0,0,0|1,0,1]=4 2079 B6R0.6 O=CCCCCCl MCULE-1257670284 [2,0,0,0,0,0|1,0,0]=3 2080 B6R0.6 O=CCCCCO MCULE-7959082228 [2,0,0,0,0,0|1,0,0]=3 2081 B6R0.6 O=CNCCCO MCULE-7926485528 [2,0,0,0,0,0|2,0,0]=4 2082 B6R0.6 OCCCCCBr MCULE-1444733196 [2,0,0,0,0,0|1,0,1]=4 2083 B6R0.6 OCCCCCCl MCULE-5666058059 [2,0,0,0,0,0|1,0,1]=4 2084 B6R0.6 OCCCCCF MCULE-9253204275 [2,0,0,0,0,0|1,0,1]=4 2085 B6R0.6 OCCCCCI MCULE-8707758496 [2,0,0,0,0,0|1,0,1]=4 2086 B6R0.6 OCCCCCO MCULE-1044076048 [2,0,0,0,0,0|1,0,1]=4 2087 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [2,0,0,0,0,0|2,0,0]=4 2088 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [2,0,0,0,0,0|2,0,0]=4 2089 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [2,0,0,0,0,0|2,0,0]=4 2090 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [2,0,0,0,0,0|1,0,1]=4 2091 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [2,0,0,0,0,0|0,0,2]=4 2092 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [2,0,0,0,0,0|0,0,2]=4 2093 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [2,0,0,0,0,0|0,0,2]=4 2094 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [2,0,0,0,0,0|0,0,2]=4 2095 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [2,0,0,0,0,0|0,0,2]=4 2096 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [2,0,0,0,0,0|0,0,2]=4 2097 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [2,0,0,0,0,0|0,0,2]=4 2098 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [2,0,0,0,0,0|0,0,2]=4 2099 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [2,0,0,0,0,0|0,0,2]=4 2100 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [2,0,0,0,0,0|0,0,2]=4 2101 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [2,0,0,0,0,0|0,0,2]=4 2102 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [2,0,0,0,0,0|2,0,0]=4 2103 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [2,0,0,0,0,0|2,0,0]=4 2104 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [2,0,0,0,0,0|2,0,0]=4 2105 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [2,0,0,0,0,0|2,0,0]=4 2106 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [2,0,0,0,0,0|2,0,0]=4 2107 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [2,0,0,0,0,0|2,0,0]=4 2108 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [2,0,0,0,0,0|2,0,0]=4 2109 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [2,0,0,0,0,0|2,0,0]=4 2110 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [2,0,0,0,0,0|1,0,1]=4 2111 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [2,0,0,0,0,0|2,0,0]=4 2112 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [2,0,0,0,0,0|2,0,0]=4 2113 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [2,0,0,0,0,0|2,0,0]=4 2114 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [2,0,0,0,0,0|2,0,0]=4 2115 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [2,0,0,0,0,0|1,0,0]=3 2116 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [2,0,0,0,0,0|2,0,0]=4 2117 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [2,0,0,0,0,0|2,0,0]=4 2118 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [2,0,0,0,0,0|2,0,0]=4 2119 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [2,0,0,0,0,0|1,0,0]=3 2120 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [2,0,0,0,0,0|1,0,0]=3 2121 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [2,0,0,0,0,0|2,0,0]=4 2122 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [2,0,0,0,0,0|2,0,0]=4 2123 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [2,0,0,0,0,0|1,0,0]=3 2124 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [2,0,0,0,0,0|1,0,0]=3 2125 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [2,0,0,0,0,0|1,0,0]=3 2126 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [2,0,0,0,0,0|1,0,0]=3 2127 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [2,0,0,0,0,0|1,0,0]=3 2128 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [2,0,0,0,0,0|1,0,0]=3 2129 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [2,0,0,0,0,0|0,0,0]=2 2130 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [2,0,0,0,0,0|0,0,0]=2 2131 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [2,0,0,0,0,0|0,0,0]=2 2132 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [2,0,0,0,0,0|0,0,0]=2 2133 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [2,0,0,0,0,0|1,0,1]=4 2134 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [2,0,0,0,0,0|1,0,1]=4 2135 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [2,0,0,0,0,0|2,0,0]=4 2136 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [2,0,0,0,0,0|1,0,0]=3 2137 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [2,0,0,0,0,0|1,0,0]=3 2138 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [2,0,0,0,0,0|1,0,1]=4 2139 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [2,0,0,0,0,0|1,0,1]=4 2140 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [2,0,0,0,0,0|2,0,0]=4 2141 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [2,0,0,0,0,0|1,0,0]=3 2142 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [2,0,0,0,0,0|2,0,0]=4 2143 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [2,0,0,0,0,0|1,0,0]=3 2144 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [2,0,0,0,0,0|1,0,0]=3 2145 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [2,0,0,0,0,0|2,0,0]=4 2146 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [2,0,0,0,0,0|2,0,0]=4 2147 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [2,0,0,0,0,0|1,0,0]=3 2148 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [2,0,0,0,0,0|1,0,0]=3 2149 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [2,0,0,0,0,0|1,0,0]=3 2150 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [2,0,0,0,0,0|1,0,0]=3 2151 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [2,0,0,0,0,0|1,0,0]=3 2152 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [2,0,0,0,0,0|1,0,0]=3 2153 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [2,0,0,0,0,0|1,0,0]=3 2154 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [2,0,0,0,0,0|1,0,0]=3 2155 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [2,0,0,0,0,0|0,0,0]=2 2156 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [2,0,0,0,0,0|0,0,0]=2 2157 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [2,0,0,0,0,0|0,0,0]=2 2158 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [2,0,0,0,0,0|0,0,0]=2 2159 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [2,0,0,0,0,0|1,0,1]=4 2160 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [2,0,0,0,0,0|1,0,1]=4 2161 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [2,0,0,0,0,0|1,0,0]=3 2162 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [2,0,0,0,0,0|1,0,0]=3 2163 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [2,0,0,0,0,0|1,0,0]=3 2164 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [2,0,0,0,0,0|1,0,0]=3 2165 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [2,0,0,0,0,0|1,0,0]=3 2166 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [2,0,0,0,0,0|1,0,0]=3 2167 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [2,0,0,0,0,0|1,0,0]=3 2168 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [2,0,0,0,0,0|1,0,0]=3 2169 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [2,0,0,0,0,0|1,0,0]=3 2170 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [2,0,0,0,0,0|1,0,0]=3 2171 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [2,0,0,0,0,0|1,0,0]=3 2172 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [2,0,0,0,0,0|0,0,0]=2 2173 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [2,0,0,0,0,0|0,0,0]=2 2174 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [2,0,0,0,0,0|0,0,0]=2 2175 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [2,0,0,0,0,0|0,0,0]=2 2176 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [2,0,0,0,0,0|0,1,0]=3 2177 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [2,0,0,0,0,0|0,1,0]=3 2178 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [2,0,0,0,0,0|1,0,1]=4 2179 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [2,0,0,0,0,0|1,0,1]=4 2180 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [2,0,0,0,0,0|1,0,1]=4 2181 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [2,0,0,0,0,0|1,0,1]=4 2182 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [2,0,0,0,0,0|1,0,1]=4 2183 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [2,0,0,0,0,0|1,0,1]=4 2184 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [2,0,0,0,0,0|1,0,0]=3 2185 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [2,0,0,0,0,0|1,0,0]=3 2186 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [2,0,0,0,0,0|1,0,1]=4 2187 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [2,0,0,0,0,0|2,0,0]=4 2188 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [2,0,0,0,0,0|2,0,0]=4 2189 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [2,0,0,0,0,0|2,0,0]=4 2190 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [2,0,0,0,0,0|2,0,0]=4 2191 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [2,0,0,0,0,0|2,0,0]=4 2192 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [2,0,0,0,0,0|2,0,0]=4 2193 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [2,0,0,0,0,0|2,0,0]=4 2194 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [2,0,0,0,0,0|2,0,0]=4 2195 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [2,0,0,0,0,0|2,0,0]=4 2196 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [2,0,0,0,0,0|2,0,0]=4 2197 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [2,0,0,0,0,0|2,0,0]=4 2198 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [2,0,0,0,0,0|2,0,0]=4 2199 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [2,0,0,0,0,0|2,0,0]=4 2200 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [2,0,0,0,0,0|2,0,0]=4 2201 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [2,0,0,0,0,0|2,0,0]=4 2202 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [2,0,0,0,0,0|2,0,0]=4 2203 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [2,0,0,0,0,0|2,0,0]=4 2204 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [2,0,0,0,0,0|2,0,0]=4 2205 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [2,0,0,0,0,0|2,0,0]=4 2206 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [2,0,0,0,0,0|2,0,0]=4 2207 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [2,0,0,0,0,0|2,0,0]=4 2208 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [2,0,0,0,0,0|2,0,0]=4 2209 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [2,0,0,0,0,0|2,0,0]=4 2210 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [2,0,0,0,0,0|2,0,0]=4 2211 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [2,0,0,0,0,0|2,0,0]=4 2212 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [2,0,0,0,0,0|2,0,0]=4 2213 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [2,0,0,0,0,0|2,0,0]=4 2214 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [2,0,0,0,0,0|2,0,0]=4 2215 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [2,0,0,0,0,0|2,0,0]=4 2216 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [2,0,0,0,0,0|2,0,0]=4 2217 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [2,0,0,0,0,0|2,0,0]=4 2218 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [2,0,0,0,0,0|2,0,0]=4 2219 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [2,0,0,0,0,0|2,0,0]=4 2220 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [2,0,0,0,0,0|2,0,0]=4 2221 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [2,0,0,0,0,0|2,0,0]=4 2222 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [2,0,0,0,0,0|2,0,0]=4 2223 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [2,0,0,0,0,0|2,0,0]=4 2224 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [2,0,0,0,0,0|2,0,0]=4 2225 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [2,0,0,0,0,0|2,0,0]=4 2226 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [2,0,0,0,0,0|2,0,0]=4 2227 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [2,0,0,0,0,0|2,0,0]=4 2228 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [2,0,0,0,0,0|1,0,0]=3 2229 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [2,0,0,0,0,0|1,0,0]=3 2230 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [2,0,0,0,0,0|1,0,0]=3 2231 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [2,0,0,0,0,0|1,0,0]=3 2232 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [2,0,0,0,0,0|1,0,0]=3 2233 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [2,0,0,0,0,0|1,0,0]=3 2234 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [2,0,0,0,0,0|1,0,0]=3 2235 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [2,0,0,0,0,0|1,0,0]=3 2236 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [2,0,0,0,0,0|1,0,0]=3 2237 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [2,0,0,0,0,0|1,0,0]=3 2238 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [2,0,0,0,0,0|2,0,0]=4 2239 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [2,0,0,0,0,0|2,0,0]=4 2240 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [2,0,0,0,0,0|2,0,0]=4 2241 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [2,0,0,0,0,0|2,0,0]=4 2242 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [2,0,0,0,0,0|1,0,0]=3 2243 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [2,0,0,0,0,0|1,0,0]=3 2244 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [2,0,0,0,0,0|1,0,0]=3 2245 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [2,0,0,0,0,0|1,0,0]=3 2246 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [2,0,0,0,0,0|1,0,0]=3 2247 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [2,0,0,0,0,0|2,0,0]=4 2248 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [2,0,0,0,0,0|2,0,0]=4 2249 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [2,0,0,0,0,0|2,0,0]=4 2250 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [2,0,0,0,0,0|2,0,0]=4 2251 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [2,0,0,0,0,0|2,0,0]=4 2252 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [2,0,0,0,0,0|2,0,0]=4 2253 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [2,0,0,0,0,0|1,0,0]=3 2254 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [2,0,0,0,0,0|1,0,0]=3 2255 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [2,0,0,0,0,0|1,0,0]=3 2256 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [2,0,0,0,0,0|2,0,0]=4 2257 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [2,0,0,0,0,0|2,0,0]=4 2258 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [2,0,0,0,0,0|2,0,0]=4 2259 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [2,0,0,0,0,0|2,0,0]=4 2260 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [2,0,0,0,0,0|2,0,0]=4 2261 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [2,0,0,0,0,0|2,0,0]=4 2262 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [2,0,0,0,0,0|1,0,0]=3 2263 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [2,0,0,0,0,0|1,0,0]=3 2264 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [2,0,0,0,0,0|1,0,0]=3 2265 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [2,0,0,0,0,0|1,0,0]=3 2266 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [2,0,0,0,0,0|1,0,0]=3 2267 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [2,0,0,0,0,0|1,0,0]=3 2268 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [2,0,0,0,0,0|2,0,0]=4 2269 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [2,0,0,0,0,0|2,0,0]=4 2270 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [2,0,0,0,0,0|1,0,0]=3 2271 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [2,0,0,0,0,0|1,0,0]=3 2272 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [2,0,0,0,0,0|1,0,0]=3 2273 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [2,0,0,0,0,0|1,0,0]=3 2274 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [2,0,0,0,0,0|1,0,0]=3 2275 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [2,0,0,0,0,0|1,0,0]=3 2276 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [2,0,0,0,0,0|1,0,0]=3 2277 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [2,0,0,0,0,0|1,0,0]=3 2278 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [2,0,0,0,0,0|1,0,0]=3 2279 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [2,0,0,0,0,0|1,0,0]=3 2280 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [2,0,0,0,0,0|1,0,0]=3 2281 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [2,0,0,0,0,0|1,0,0]=3 2282 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [2,0,0,0,0,0|1,0,0]=3 2283 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [2,0,0,0,0,0|1,0,0]=3 2284 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [2,0,0,0,0,0|1,0,0]=3 2285 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [2,0,0,0,0,0|1,0,0]=3 2286 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [2,0,0,0,0,0|1,0,0]=3 2287 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [2,0,0,0,0,0|1,0,0]=3 2288 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [2,0,0,0,0,0|1,0,0]=3 2289 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [2,0,0,0,0,0|1,0,0]=3 2290 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [2,0,0,0,0,0|1,0,0]=3 2291 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [2,0,0,0,0,0|1,0,0]=3 2292 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [2,0,0,0,0,0|1,0,0]=3 2293 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [2,0,0,0,0,0|1,0,0]=3 2294 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [2,0,0,0,0,0|2,0,0]=4 2295 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [2,0,0,0,0,0|2,0,0]=4 2296 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [2,0,0,0,0,0|2,0,0]=4 2297 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [2,0,0,0,0,0|2,0,0]=4 2298 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [2,0,0,0,0,0|2,0,0]=4 2299 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [2,0,0,0,0,0|2,0,0]=4 2300 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [2,0,0,0,0,0|2,0,0]=4 2301 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [2,0,0,0,0,0|2,0,0]=4 2302 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [2,0,0,0,0,0|2,0,0]=4 2303 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [2,0,0,0,0,0|2,0,0]=4 2304 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [2,0,0,0,0,0|2,0,0]=4 2305 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [2,0,0,0,0,0|2,0,0]=4 2306 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [2,0,0,0,0,0|2,0,0]=4 2307 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [2,0,0,0,0,0|2,0,0]=4 2308 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [2,0,0,0,0,0|2,0,0]=4 2309 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [2,0,0,0,0,0|2,0,0]=4 2310 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [2,0,0,0,0,0|2,0,0]=4 2311 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [2,0,0,0,0,0|0,0,2]=4 2312 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [2,0,0,0,0,0|1,0,0]=3 2313 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [2,0,0,0,0,0|2,0,0]=4 2314 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [2,0,0,0,0,0|2,0,0]=4 2315 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [2,0,0,0,0,0|1,0,0]=3 2316 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [2,0,0,0,0,0|1,0,0]=3 2317 B8R0.1 C=CCC(O)CCCC MCULE-4055894447 [1,1,0,0,0,0|2,0,0]=4 2318 B8R0.1 CCCCC(C)CCO MCULE-7796394440 [1,1,0,0,0,0|1,0,1]=4 2319 B8R0.1 CCCCC(N)CCC MCULE-5245074866 [1,1,0,0,0,0|1,0,1]=4 2320 B8R0.1 CCCCC(N)CCO MCULE-1718868981 [1,1,0,0,0,0|0,0,1]=3 2321 B8R0.1 CCCCC(N)CCO MCULE-6967408250 [1,1,0,0,0,0|0,0,1]=3 2322 B8R0.1 CCCCC(N)CCO MCULE-7169926590 [1,1,0,0,0,0|0,0,1]=3 2323 B8R0.1 CCCCC(N)CCO MCULE-7195068070 [1,1,0,0,0,0|0,0,1]=3 2324 B8R0.1 CCCCC(N)COC MCULE-6869672438 [1,1,0,0,0,0|0,0,1]=3 2325 B8R0.1 CCCCC(O)CCO MCULE-1527111701 [1,1,0,0,0,0|1,0,1]=4 2326 B8R0.1 CCCC[C@H](N)CCO MCULE-1556286414 [1,1,0,0,0,0|0,0,1]=3 2327 B8R0.1 CCCC[C@H](N)CCO MCULE-5421326968 [1,1,0,0,0,0|0,0,1]=3 2328 B8R0.1 CCCC[C@H](N)CCO MCULE-8706513986 [1,1,0,0,0,0|0,0,1]=3 2329 B8R0.1 COCCC(N)COC MCULE-7022239439 [1,1,0,0,0,0|1,0,1]=4 2330 B8R0.3 CCCC(=O)C(N)CO MCULE-4196745965 [1,1,0,0,0,0|0,0,2]=4 2331 B8R0.3 CCCC(=O)C(N)CO MCULE-9001126199 [1,1,0,0,0,0|0,0,2]=4 2332 B8R0.3 CCCC(C)C(N)CO MCULE-7204075039 [1,1,0,0,0,0|0,0,1]=3 2333 B8R0.3 CCCC(C)C(N)CO MCULE-9206965368 [1,1,0,0,0,0|0,0,1]=3 2334 B8R0.3 CCCC(O)C(N)CO MCULE-6983866986 [1,1,0,0,0,0|0,0,1]=3 2335 B8R0.6 C#CCCC[C@@H](N)CO MCULE-2559437973 [1,1,0,0,0,0|0,0,2]=4 2336 B8R0.6 C#CCCC[C@@H](N)CO MCULE-9800548833 [1,1,0,0,0,0|0,0,2]=4 2337 B8R0.6 C#CCCC[C@H](N)CO MCULE-1789980212 [1,1,0,0,0,0|0,0,2]=4 2338 B8R0.6 C#CCCC[C@H](N)CO MCULE-7070205347 [1,1,0,0,0,0|0,0,2]=4 2339 B8R0.6 C=CC(O)CCCCC MCULE-3974016765 [1,1,0,0,0,0|2,0,0]=4 2340 B8R0.6 CCCCCC(C)CO MCULE-4884757032 [1,1,0,0,0,0|1,0,1]=4 2341 B8R0.6 CCCCCC(O)CO MCULE-4124719814 [1,1,0,0,0,0|1,0,1]=4 2342 B8R0.6 CCCCOC(=O)C=O MCULE-1707513945 [1,1,0,0,0,0|1,0,1]=4 2343 B8R0.6 CCCNCC(O)CO MCULE-1611893086 [1,1,0,0,0,0|1,0,1]=4 2344 B8R0.6 CCCOCC(C)CO MCULE-8326797774 [1,1,0,0,0,0|1,0,1]=4 2345 B8R0.6 CCCOCC(O)CO MCULE-8815613620 [1,1,0,0,0,0|1,0,1]=4 2346 B8R0.6 CCCOC[C@H](O)CO MCULE-7750792134 [1,1,0,0,0,0|1,0,1]=4 2347 B8R0.6 NCCCCC(N)CO MCULE-5938273372 [1,1,0,0,0,0|0,0,1]=3 2348 B8R0.6 NCCCCC(N)CO MCULE-9464237285 [1,1,0,0,0,0|0,0,1]=3 2349 B8R0.6 NCCCCC(N)CS MCULE-1078097453 [1,1,0,0,0,0|0,1,1]=4 2350 B8R0.6 NCCCC[C@H](N)CO MCULE-4735749396 [1,1,0,0,0,0|0,0,1]=3 2351 B8R0.6 NCCCC[C@H](N)CO MCULE-6997150748 [1,1,0,0,0,0|0,0,1]=3 2352 B8R0.6 NCCCC[C@H](N)CO MCULE-7936699760 [1,1,0,0,0,0|0,0,1]=3 2353 B8R0.6 NCCCC[C@H](N)CO MCULE-9135547877 [1,1,0,0,0,0|0,0,1]=3 2354 B8R0.6 OCCCCC(O)CO MCULE-5891501842 [1,1,0,0,0,0|1,0,1]=4 2355 B8R0.9 CC(C)CC/C(=N/O)/N MCULE-5971141379 [1,1,0,0,0,0|1,0,1]=4 2356 B8R0.9 CC(C)CCC(C)CO MCULE-8698383870 [1,1,0,0,0,0|1,0,1]=4 2357 B8R0.9 CC(C)CCC(N)CO MCULE-1841093348 [1,1,0,0,0,0|0,0,1]=3 2358 B8R0.9 CC(C)CCC(N)CO MCULE-6322500554 [1,1,0,0,0,0|0,0,1]=3 2359 B8R0.11 CCCCC(C=O)CC MCULE-1141216024 [1,1,0,0,0,0|1,0,0]=3 2360 B8R0.11 CCCCC(CC)CN MCULE-1662642024 [1,1,0,0,0,0|1,0,1]=4 2361 B8R0.11 CCCCC(CC)CN MCULE-4352983814 [1,1,0,0,0,0|1,0,1]=4 2362 B8R0.11 CCCCC(CC)CN MCULE-8640566132 [1,1,0,0,0,0|1,0,1]=4 2363 B8R0.11 CCCCC(CC)CO MCULE-1768780358 [1,1,0,0,0,0|1,0,1]=4 2364 B8R0.11 CCCCC(CN)NC MCULE-7555946294 [1,1,0,0,0,0|1,0,1]=4 2365 B8R0.11 CCCCC(CO)CO MCULE-4148067977 [1,1,0,0,0,0|1,0,1]=4 2366 B8R0.11 CCCCC(CO)NC MCULE-5217517371 [1,1,0,0,0,0|0,0,1]=3 2367 B8R0.19 CCC(C)CC(C)CO MCULE-5737704972 [1,1,0,0,0,0|1,0,1]=4 2368 B8R0.19 CCC(C)CC(N)CO MCULE-5344165944 [1,1,0,0,0,0|0,0,1]=3 2369 B8R0.19 CCC(C)CC(N)CO MCULE-6408946943 [1,1,0,0,0,0|0,0,1]=3 2370 B8R0.19 CCC(N)CC(C)CO MCULE-9757770228 [1,1,0,0,0,0|1,0,1]=4 2371 B8R0.25 CCCCC(C)(C)C=O MCULE-2890084431 [1,1,0,0,0,0|1,0,0]=3 2372 B8R0.25 CCCCC(C)(C)CO MCULE-4899561324 [1,1,0,0,0,0|1,0,1]=4 2373 B8R0.25 CCCCC(C)(N)CO MCULE-2447993651 [1,1,0,0,0,0|0,0,1]=3 2374 B8R0.25 CCCCC(C)(N)CO MCULE-2703890876 [1,1,0,0,0,0|0,0,1]=3 2375 B8R0.25 COCCC(C)(N)CO MCULE-9079600767 [1,1,0,0,0,0|1,0,1]=4 2376 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [1,1,0,0,0,0|0,0,2]=4 2377 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [1,1,0,0,0,0|0,0,2]=4 2378 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [1,1,0,0,0,0|0,0,2]=4 2379 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [1,1,0,0,0,0|0,0,2]=4 2380 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [1,1,0,0,0,0|0,0,2]=4 2381 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [1,1,0,0,0,0|0,0,2]=4 2382 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [1,1,0,0,0,0|0,0,2]=4 2383 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [1,1,0,0,0,0|0,0,2]=4 2384 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [1,1,0,0,0,0|0,0,2]=4 2385 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [1,1,0,0,0,0|0,0,2]=4 2386 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [1,1,0,0,0,0|0,0,2]=4 2387 B8R0.5 C=C(C)CC(C)CCC MCULE-7442491404 [1,1,0,0,0,0|2,0,0]=4 2388 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [1,1,0,0,0,0|0,0,1]=3 2389 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [1,1,0,0,0,0|0,0,2]=4 2390 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [1,1,0,0,0,0|0,0,2]=4 2391 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [1,1,0,0,0,0|0,0,2]=4 2392 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [1,1,0,0,0,0|0,0,2]=4 2393 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [1,1,0,0,0,0|0,0,2]=4 2394 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [1,1,0,0,0,0|0,0,2]=4 2395 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [1,1,0,0,0,0|0,0,2]=4 2396 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [1,1,0,0,0,0|0,0,2]=4 2397 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [1,1,0,0,0,0|0,0,2]=4 2398 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [1,1,0,0,0,0|0,0,2]=4 2399 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [1,1,0,0,0,0|0,0,2]=4 2400 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [1,1,0,0,0,0|0,0,2]=4 2401 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [1,1,0,0,0,0|0,0,2]=4 2402 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [1,1,0,0,0,0|0,0,2]=4 2403 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [1,1,0,0,0,0|0,0,2]=4 2404 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [1,1,0,0,0,0|1,0,1]=4 2405 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [1,1,0,0,0,0|0,0,1]=3 2406 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [1,1,0,0,0,0|1,0,0]=3 2407 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,1,0,0,0,0|0,0,0]=2 2408 B8R0.5 CCCC(C)CC(C)O MCULE-3968478752 [1,1,0,0,0,0|1,0,1]=4 2409 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [1,1,0,0,0,0|2,0,0]=4 2410 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [1,1,0,0,0,0|2,0,0]=4 2411 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [1,1,0,0,0,0|2,0,0]=4 2412 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [1,1,0,0,0,0|0,0,0]=2 2413 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [1,1,0,0,0,0|0,0,0]=2 2414 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [1,1,0,0,0,0|0,0,0]=2 2415 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [1,1,0,0,0,0|0,0,0]=2 2416 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [1,1,0,0,0,0|0,0,0]=2 2417 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [1,1,0,0,0,0|1,0,0]=3 2418 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [1,1,0,0,0,0|1,0,0]=3 2419 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [1,1,0,0,0,0|1,0,0]=3 2420 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [1,1,0,0,0,0|0,0,0]=2 2421 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [1,1,0,0,0,0|0,0,0]=2 2422 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [1,1,0,0,0,0|0,0,0]=2 2423 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [1,1,0,0,0,0|0,0,0]=2 2424 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [1,1,0,0,0,0|0,0,0]=2 2425 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [1,1,0,0,0,0|1,0,1]=4 2426 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [1,1,0,0,0,0|1,0,0]=3 2427 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [1,1,0,0,0,0|1,0,0]=3 2428 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [1,1,0,0,0,0|1,0,1]=4 2429 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [1,1,0,0,0,0|1,0,0]=3 2430 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [1,1,0,0,0,0|2,0,0]=4 2431 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [1,1,0,0,0,0|1,0,0]=3 2432 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [1,1,0,0,0,0|1,0,0]=3 2433 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [1,1,0,0,0,0|1,0,0]=3 2434 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [1,1,0,0,0,0|1,0,0]=3 2435 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [1,1,0,0,0,0|1,0,0]=3 2436 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [1,1,0,0,0,0|0,0,1]=3 2437 B8R0.7 C#CCCOCC(=O)O MCULE-5200842540 [1,1,0,0,0,0|0,0,2]=4 2438 B8R0.7 C#CCOCCC(=O)O MCULE-9710662304 [1,1,0,0,0,0|0,0,2]=4 2439 B8R0.7 C=C(Br)CCCCCC MCULE-3502674829 [1,1,0,0,0,0|2,0,0]=4 2440 B8R0.7 C=C(Br)CCCCCCl MCULE-8350652246 [1,1,0,0,0,0|2,0,0]=4 2441 B8R0.7 C=C(Br)CNCCCC MCULE-5896177180 [1,1,0,0,0,0|2,0,0]=4 2442 B8R0.7 C=C(Br)CNCCCC MCULE-9529942902 [1,1,0,0,0,0|2,0,0]=4 2443 B8R0.7 C=C(C)CCCCCC MCULE-2243788093 [1,1,0,0,0,0|2,0,0]=4 2444 B8R0.7 C=C(C)CCCCCCl MCULE-5646492015 [1,1,0,0,0,0|2,0,0]=4 2445 B8R0.7 C=C(C)CSCCCC MCULE-7053589995 [1,1,0,0,0,0|2,0,0]=4 2446 B8R0.7 C=C(Cl)CCCCCC MCULE-4545659103 [1,1,0,0,0,0|2,0,0]=4 2447 B8R0.7 C=C(Cl)CCCCCCl MCULE-3447520654 [1,1,0,0,0,0|2,0,0]=4 2448 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [1,1,0,0,0,0|1,0,1]=4 2449 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [1,1,0,0,0,0|0,0,1]=3 2450 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [1,1,0,0,0,0|0,0,2]=4 2451 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [1,1,0,0,0,0|0,0,2]=4 2452 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [1,1,0,0,0,0|0,0,2]=4 2453 B8R0.7 CC#CCCCC(=O)C MCULE-4297141774 [1,1,0,0,0,0|1,0,1]=4 2454 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [1,1,0,0,0,0|0,0,1]=3 2455 B8R0.7 CC(=O)CCCCC#N MCULE-2841814511 [1,1,0,0,0,0|1,0,1]=4 2456 B8R0.7 CC(=O)CCCCCBr MCULE-8946921118 [1,1,0,0,0,0|1,0,0]=3 2457 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [1,1,0,0,0,0|1,0,0]=3 2458 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [1,1,0,0,0,0|1,0,0]=3 2459 B8R0.7 CC(=O)NCCCCN MCULE-6666803790 [1,1,0,0,0,0|2,0,0]=4 2460 B8R0.7 CC(=O)NCCCCN MCULE-8971714473 [1,1,0,0,0,0|2,0,0]=4 2461 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [1,1,0,0,0,0|2,0,0]=4 2462 B8R0.7 CC(=O)OCCCCBr MCULE-6081921662 [1,1,0,0,0,0|2,0,0]=4 2463 B8R0.7 CC(=O)OCCCCCl MCULE-3999602136 [1,1,0,0,0,0|2,0,0]=4 2464 B8R0.7 CC(=O)OCCCCI MCULE-6699791525 [1,1,0,0,0,0|2,0,0]=4 2465 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [1,1,0,0,0,0|2,0,0]=4 2466 B8R0.7 CC(=O)SCCCCBr MCULE-1636667997 [1,1,0,0,0,0|2,0,0]=4 2467 B8R0.7 CC(=O)SCCCCN MCULE-2425585672 [1,1,0,0,0,0|2,0,0]=4 2468 B8R0.7 CC(=O)SCCCCN MCULE-9899884734 [1,1,0,0,0,0|2,0,0]=4 2469 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [1,1,0,0,0,0|1,0,1]=4 2470 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [1,1,0,0,0,0|0,0,1]=3 2471 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [1,1,0,0,0,0|1,0,1]=4 2472 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [1,1,0,0,0,0|0,0,1]=3 2473 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [1,1,0,0,0,0|0,0,1]=3 2474 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [1,1,0,0,0,0|0,0,1]=3 2475 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [1,1,0,0,0,0|1,0,1]=4 2476 B8R0.7 CCCCC=CC(=O)Cl MCULE-3883159938 [1,1,0,0,0,0|1,0,1]=4 2477 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [1,1,0,0,0,0|0,0,1]=3 2478 B8R0.7 CCCCCCB(O)O MCULE-6503959495 [1,1,0,0,0,0|1,0,1]=4 2479 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [1,1,0,0,0,0|1,0,0]=3 2480 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [1,1,0,0,0,0|1,0,0]=3 2481 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [1,1,0,0,0,0|1,0,0]=3 2482 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [1,1,0,0,0,0|0,0,0]=2 2483 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [1,1,0,0,0,0|0,0,1]=3 2484 B8R0.7 CCCCCCC(C)O MCULE-4635370769 [1,1,0,0,0,0|1,0,1]=4 2485 B8R0.7 CCCCCCC(C)O MCULE-5095200181 [1,1,0,0,0,0|1,0,1]=4 2486 B8R0.7 CCCCCCN(=O)=O MCULE-8283658415 [1,1,0,0,0,0|1,0,1]=4 2487 B8R0.7 CCCCCC[C@@H](C)O MCULE-5245235461 [1,1,0,0,0,0|1,0,1]=4 2488 B8R0.7 CCCCCC[C@@H](C)O MCULE-8537503782 [1,1,0,0,0,0|1,0,1]=4 2489 B8R0.7 CCCCCC[C@H](C)O MCULE-2655815413 [1,1,0,0,0,0|1,0,1]=4 2490 B8R0.7 CCCCCC[C@H](C)O MCULE-7784149103 [1,1,0,0,0,0|1,0,1]=4 2491 B8R0.7 CCCCCNC(=O)N MCULE-3139270247 [1,1,0,0,0,0|1,0,0]=3 2492 B8R0.7 CCCCCOC(=O)C MCULE-4911325533 [1,1,0,0,0,0|1,0,0]=3 2493 B8R0.7 CCCCCOC(=O)Cl MCULE-2896207255 [1,1,0,0,0,0|1,0,0]=3 2494 B8R0.7 CCCCCOC(=S)[S-] MCULE-2950713727 [1,1,0,0,0,0|0,2,0]=4 2495 B8R0.7 CCCCCOC(=S)[S-] MCULE-3707330245 [1,1,0,0,0,0|0,2,0]=4 2496 B8R0.7 CCCCCON(=O)=O MCULE-5516967908 [1,1,0,0,0,0|1,0,1]=4 2497 B8R0.7 CCCCCSC(=N)N MCULE-5906999949 [1,1,0,0,0,0|2,0,0]=4 2498 B8R0.7 CCCCCSC(=N)N MCULE-7508276539 [1,1,0,0,0,0|2,0,0]=4 2499 B8R0.7 CCCCNCC(=O)N MCULE-1276341431 [1,1,0,0,0,0|1,0,0]=3 2500 B8R0.7 CCCCNCC(=O)N MCULE-6579402071 [1,1,0,0,0,0|1,0,0]=3 2501 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [1,1,0,0,0,0|0,0,0]=2 2502 B8R0.7 CCCCNCC(C)O MCULE-3151408580 [1,1,0,0,0,0|1,0,1]=4 2503 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [1,1,0,0,0,0|0,0,0]=2 2504 B8R0.7 CCCCOCC(C)O MCULE-6350800869 [1,1,0,0,0,0|1,0,1]=4 2505 B8R0.7 CCCCSCC(=N)N MCULE-5468671942 [1,1,0,0,0,0|2,0,0]=4 2506 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [1,1,0,0,0,0|0,0,0]=2 2507 B8R0.7 CCCNCCC(=O)N MCULE-2654608736 [1,1,0,0,0,0|1,0,0]=3 2508 B8R0.7 CCCNCCC(=O)N MCULE-2683588523 [1,1,0,0,0,0|1,0,0]=3 2509 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [1,1,0,0,0,0|0,0,0]=2 2510 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [1,1,0,0,0,0|0,0,0]=2 2511 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [1,1,0,0,0,0|0,0,0]=2 2512 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [1,1,0,0,0,0|0,0,2]=4 2513 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [1,1,0,0,0,0|0,0,0]=2 2514 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [1,1,0,0,0,0|0,0,0]=2 2515 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [1,1,0,0,0,0|0,0,0]=2 2516 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [1,1,0,0,0,0|0,0,0]=2 2517 B8R0.7 CCOCCNC(=O)N MCULE-7568793312 [1,1,0,0,0,0|2,0,0]=4 2518 B8R0.7 CCOCCOC(=O)C MCULE-3053452981 [1,1,0,0,0,0|2,0,0]=4 2519 B8R0.7 CCOCCOC(=O)Cl MCULE-9683410173 [1,1,0,0,0,0|2,0,0]=4 2520 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [1,1,0,0,0,0|0,0,0]=2 2521 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [1,1,0,0,0,0|0,0,0]=2 2522 B8R0.7 CNCCCNC(=O)C MCULE-2682619502 [1,1,0,0,0,0|2,0,0]=4 2523 B8R0.7 CNCCCNC(=O)C MCULE-3477977807 [1,1,0,0,0,0|2,0,0]=4 2524 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [1,1,0,0,0,0|1,0,0]=3 2525 B8R0.7 COCCCCB(O)O MCULE-5339704839 [1,1,0,0,0,0|1,0,1]=4 2526 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [1,1,0,0,0,0|0,0,0]=2 2527 B8R0.7 COCCCCN(=O)=O MCULE-3527542330 [1,1,0,0,0,0|1,0,1]=4 2528 B8R0.7 COCCCNC(=O)C MCULE-4149128250 [1,1,0,0,0,0|2,0,0]=4 2529 B8R0.7 COCCCNC(=O)N MCULE-4038737956 [1,1,0,0,0,0|2,0,0]=4 2530 B8R0.7 COCCNCC(=O)N MCULE-2300508230 [1,1,0,0,0,0|2,0,0]=4 2531 B8R0.7 COCCNCC(=O)N MCULE-7059174365 [1,1,0,0,0,0|2,0,0]=4 2532 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [1,1,0,0,0,0|1,0,0]=3 2533 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [1,1,0,0,0,0|1,0,0]=3 2534 B8R0.7 COCCOCC(=O)C MCULE-5956367525 [1,1,0,0,0,0|2,0,0]=4 2535 B8R0.7 COCCOCC(=O)Cl MCULE-9321414156 [1,1,0,0,0,0|2,0,0]=4 2536 B8R0.7 COCCOCC(=O)N MCULE-8987780803 [1,1,0,0,0,0|2,0,0]=4 2537 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [1,1,0,0,0,0|1,0,0]=3 2538 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [1,1,0,0,0,0|1,0,0]=3 2539 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [1,1,0,0,0,0|0,0,0]=2 2540 B8R0.7 CSCCCOC(=O)C MCULE-4403232519 [1,1,0,0,0,0|2,0,0]=4 2541 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [1,1,0,0,0,0|1,0,0]=3 2542 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [1,1,0,0,0,0|1,0,0]=3 2543 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [1,1,0,0,0,0|1,0,0]=3 2544 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [1,1,0,0,0,0|1,0,0]=3 2545 B8R0.7 N#CCCCCC(=O)N MCULE-7791035164 [1,1,0,0,0,0|1,0,1]=4 2546 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [1,1,0,0,0,0|0,0,1]=3 2547 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [1,1,0,0,0,0|1,0,1]=4 2548 B8R0.7 N#N=NCCCC(=O)O MCULE-1397586704 [1,1,0,0,0,0|2,0,0]=4 2549 B8R0.7 NC(=O)CCCCCBr MCULE-6938202710 [1,1,0,0,0,0|1,0,0]=3 2550 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [1,1,0,0,0,0|1,0,0]=3 2551 B8R0.7 NC(=O)CCNCCS MCULE-4682566242 [1,1,0,0,0,0|2,0,0]=4 2552 B8R0.7 NCCCCCC(=O)N MCULE-1692086577 [1,1,0,0,0,0|1,0,0]=3 2553 B8R0.7 NCCCCCC(=O)N MCULE-2191237198 [1,1,0,0,0,0|1,0,0]=3 2554 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [1,1,0,0,0,0|0,0,0]=2 2555 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [1,1,0,0,0,0|0,0,0]=2 2556 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [1,1,0,0,0,0|0,0,1]=3 2557 B8R0.7 NCCCCNC(=O)N MCULE-6339634491 [1,1,0,0,0,0|2,0,0]=4 2558 B8R0.7 NCCCCNC(=O)N MCULE-8210849027 [1,1,0,0,0,0|2,0,0]=4 2559 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [1,1,0,0,0,0|1,0,0]=3 2560 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [1,1,0,0,0,0|1,0,0]=3 2561 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [1,1,0,0,0,0|1,0,0]=3 2562 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [1,1,0,0,0,0|1,0,0]=3 2563 B8R0.7 NCCNCCC(=O)[O-] MCULE-8896439746 [1,1,0,0,0,0|1,0,1]=4 2564 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [1,1,0,0,0,0|1,0,0]=3 2565 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [1,1,0,0,0,0|1,0,0]=3 2566 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [1,1,0,0,0,0|1,0,0]=3 2567 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [1,1,0,0,0,0|1,0,0]=3 2568 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [1,1,0,0,0,0|1,0,0]=3 2569 B8R0.7 O=C(Cl)CCCCCBr MCULE-4314610726 [1,1,0,0,0,0|1,0,0]=3 2570 B8R0.7 O=C(Cl)CCCCCCl MCULE-4526081631 [1,1,0,0,0,0|1,0,0]=3 2571 B8R0.7 O=C(Cl)OCCCCCl MCULE-4992919323 [1,1,0,0,0,0|2,0,0]=4 2572 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [1,1,0,0,0,0|0,0,0]=2 2573 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [1,1,0,0,0,0|0,0,0]=2 2574 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [1,1,0,0,0,0|0,0,0]=2 2575 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [1,1,0,0,0,0|0,0,0]=2 2576 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [1,1,0,0,0,0|0,0,0]=2 2577 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [1,1,0,0,0,0|1,0,0]=3 2578 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [1,1,0,0,0,0|1,0,0]=3 2579 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [1,1,0,0,0,0|1,0,0]=3 2580 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [1,1,0,0,0,0|1,0,0]=3 2581 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [1,1,0,0,0,0|1,0,0]=3 2582 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [1,1,0,0,0,0|1,0,0]=3 2583 B8R0.7 O=C([O-])CCCCCCl MCULE-7341419838 [1,1,0,0,0,0|0,0,1]=3 2584 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [1,1,0,0,0,0|0,0,1]=3 2585 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [1,1,0,0,0,0|0,0,1]=3 2586 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [1,1,0,0,0,0|0,0,1]=3 2587 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [1,1,0,0,0,0|1,0,1]=4 2588 B8R0.7 O=N(=O)CCCCCBr MCULE-8173901748 [1,1,0,0,0,0|1,0,1]=4 2589 B8R0.7 O=N(=O)CCCCCCl MCULE-6320526045 [1,1,0,0,0,0|1,0,1]=4 2590 B8R0.7 O=N(=O)CCCCCO MCULE-8742649710 [1,1,0,0,0,0|1,0,1]=4 2591 B8R0.7 OB(O)CCCCCBr MCULE-1080449080 [1,1,0,0,0,0|1,0,1]=4 2592 B8R0.21 CCCCCC(C)(C)O MCULE-8173858480 [1,1,0,0,0,0|1,0,1]=4 2593 B8R0.21 CCCCCS(=O)(=O)Cl MCULE-6896424187 [1,1,0,0,0,0|1,0,1]=4 2594 B8R0.21 CCCCCS(=O)(=O)N MCULE-5002185424 [1,1,0,0,0,0|1,0,1]=4 2595 B8R0.21 CCCCCS(=O)(=O)O MCULE-3941343492 [1,1,0,0,0,0|1,0,0]=3 2596 B8R0.21 CCCCCS(=O)(=O)[O-] MCULE-8928036198 [1,1,0,0,0,0|1,0,1]=4 2597 B8R0.21 CCCCNS(=O)(=O)O MCULE-9277142869 [1,1,0,0,0,0|2,0,0]=4 2598 B8R0.21 CCCCOP(=O)(O)O MCULE-7637624598 [1,1,0,0,0,0|2,0,0]=4 2599 B8R0.21 COCCCS(=O)(=O)O MCULE-2207949915 [1,1,0,0,0,0|2,0,0]=4 2600 B8R0.21 NCCCCP(=O)(O)O MCULE-2632534074 [1,1,0,0,0,0|2,0,0]=4 2601 B8R0.21 O=P(O)(O)CCCCBr MCULE-5686227952 [1,1,0,0,0,0|2,0,0]=4 2602 B8R0.21 O=S(=O)(O)CCCCO MCULE-7293075600 [1,1,0,0,0,0|2,0,0]=4 2603 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [1,1,0,0,0,0|0,0,2]=4 2604 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [1,1,0,0,0,0|0,0,1]=3 2605 B8R0.28 C=C(C)CCCC(C)C MCULE-5830488183 [1,1,0,0,0,0|2,0,0]=4 2606 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [1,1,0,0,0,0|0,0,2]=4 2607 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [1,1,0,0,0,0|0,0,2]=4 2608 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [1,1,0,0,0,0|1,0,1]=4 2609 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [1,1,0,0,0,0|1,0,1]=4 2610 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [1,1,0,0,0,0|0,0,1]=3 2611 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [1,1,0,0,0,0|1,0,0]=3 2612 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [1,1,0,0,0,0|2,0,0]=4 2613 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [1,1,0,0,0,0|2,0,0]=4 2614 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [1,1,0,0,0,0|2,0,0]=4 2615 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [1,1,0,0,0,0|2,0,0]=4 2616 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [1,1,0,0,0,0|2,0,0]=4 2617 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [1,1,0,0,0,0|1,0,1]=4 2618 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [1,1,0,0,0,0|2,0,0]=4 2619 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [1,1,0,0,0,0|1,0,1]=4 2620 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [1,1,0,0,0,0|2,0,0]=4 2621 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [1,1,0,0,0,0|1,0,1]=4 2622 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [1,1,0,0,0,0|0,0,2]=4 2623 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [1,1,0,0,0,0|0,0,2]=4 2624 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [1,1,0,0,0,0|0,0,2]=4 2625 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [1,1,0,0,0,0|0,0,0]=2 2626 B8R0.28 CC(C)CCCC(C)O MCULE-6655675430 [1,1,0,0,0,0|1,0,1]=4 2627 B8R0.28 CC(C)CCCN(=O)=O MCULE-2817926193 [1,1,0,0,0,0|1,0,1]=4 2628 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [1,1,0,0,0,0|2,0,0]=4 2629 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [1,1,0,0,0,0|2,0,0]=4 2630 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [1,1,0,0,0,0|2,0,0]=4 2631 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [1,1,0,0,0,0|2,0,0]=4 2632 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [1,1,0,0,0,0|1,0,0]=3 2633 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [1,1,0,0,0,0|1,0,0]=3 2634 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [1,1,0,0,0,0|2,0,0]=4 2635 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [1,1,0,0,0,0|1,0,0]=3 2636 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [1,1,0,0,0,0|1,0,0]=3 2637 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [1,1,0,0,0,0|2,0,0]=4 2638 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [1,1,0,0,0,0|1,0,0]=3 2639 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [1,1,0,0,0,0|1,0,0]=3 2640 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [1,1,0,0,0,0|1,0,0]=3 2641 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [1,1,0,0,0,0|1,0,0]=3 2642 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [1,1,0,0,0,0|1,0,0]=3 2643 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,1,0,0,0,0|0,0,0]=2 2644 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [1,1,0,0,0,0|0,0,1]=3 2645 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [1,1,0,0,0,0|2,0,0]=4 2646 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [1,1,0,0,0,0|2,0,0]=4 2647 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [1,1,0,0,0,0|1,0,0]=3 2648 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [1,1,0,0,0,0|1,0,0]=3 2649 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [1,1,0,0,0,0|1,0,1]=4 2650 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [1,1,0,0,0,0|1,0,1]=4 2651 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [1,1,0,0,0,0|1,0,0]=3 2652 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [1,1,0,0,0,0|2,0,0]=4 2653 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [1,1,0,0,0,0|2,0,0]=4 2654 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [1,1,0,0,0,0|1,0,1]=4 2655 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [1,1,0,0,0,0|1,0,1]=4 2656 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [1,1,0,0,0,0|1,0,0]=3 2657 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [1,1,0,0,0,0|2,0,0]=4 2658 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [1,1,0,0,0,0|1,0,0]=3 2659 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [1,1,0,0,0,0|1,0,0]=3 2660 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [1,1,0,0,0,0|1,0,0]=3 2661 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [1,1,0,0,0,0|0,0,0]=2 2662 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [1,1,0,0,0,0|2,0,0]=4 2663 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [1,1,0,0,0,0|1,0,0]=3 2664 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [1,1,0,0,0,0|1,0,0]=3 2665 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [1,1,0,0,0,0|0,0,0]=2 2666 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [1,1,0,0,0,0|0,0,0]=2 2667 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [1,1,0,0,0,0|2,0,0]=4 2668 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [1,1,0,0,0,0|2,0,0]=4 2669 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [1,1,0,0,0,0|0,0,0]=2 2670 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [1,1,0,0,0,0|0,0,0]=2 2671 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [1,1,0,0,0,0|1,0,0]=3 2672 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [1,1,0,0,0,0|0,0,0]=2 2673 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [1,1,0,0,0,0|0,0,0]=2 2674 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [1,1,0,0,0,0|0,0,0]=2 2675 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [1,1,0,0,0,0|0,0,0]=2 2676 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [1,1,0,0,0,0|0,0,0]=2 2677 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [1,1,0,0,0,0|0,0,0]=2 2678 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [1,1,0,0,0,0|0,0,0]=2 2679 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [1,1,0,0,0,0|0,0,0]=2 2680 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [1,1,0,0,0,0|0,0,0]=2 2681 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [1,1,0,0,0,0|1,0,0]=3 2682 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [1,1,0,0,0,0|1,0,0]=3 2683 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [1,1,0,0,0,0|1,0,0]=3 2684 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [1,1,0,0,0,0|1,0,0]=3 2685 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [1,1,0,0,0,0|1,0,0]=3 2686 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [1,1,0,0,0,0|0,0,0]=2 2687 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [1,1,0,0,0,0|0,0,0]=2 2688 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [1,1,0,0,0,0|1,0,0]=3 2689 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [1,1,0,0,0,0|1,0,0]=3 2690 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [1,1,0,0,0,0|1,0,0]=3 2691 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [1,1,0,0,0,0|0,0,0]=2 2692 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [1,1,0,0,0,0|0,0,0]=2 2693 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [1,1,0,0,0,0|0,0,0]=2 2694 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [1,1,0,0,0,0|0,0,0]=2 2695 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [1,1,0,0,0,0|1,0,1]=4 2696 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [1,1,0,0,0,0|1,0,1]=4 2697 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [1,1,0,0,0,0|1,0,1]=4 2698 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [1,1,0,0,0,0|1,0,1]=4 2699 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [1,1,0,0,0,0|2,0,0]=4 2700 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [1,1,0,0,0,0|2,0,0]=4 2701 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [1,1,0,0,0,0|1,0,0]=3 2702 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [1,1,0,0,0,0|1,0,0]=3 2703 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [1,1,0,0,0,0|1,0,0]=3 2704 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [1,1,0,0,0,0|1,0,0]=3 2705 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [1,1,0,0,0,0|1,0,0]=3 2706 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [1,1,0,0,0,0|1,0,0]=3 2707 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [1,1,0,0,0,0|1,0,0]=3 2708 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [1,1,0,0,0,0|1,0,0]=3 2709 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [1,1,0,0,0,0|1,0,0]=3 2710 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [1,1,0,0,0,0|1,0,0]=3 2711 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [1,1,0,0,0,0|2,0,0]=4 2712 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [1,1,0,0,0,0|2,0,0]=4 2713 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [1,1,0,0,0,0|2,0,0]=4 2714 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [1,1,0,0,0,0|1,0,0]=3 2715 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [1,1,0,0,0,0|1,0,0]=3 2716 B8R0.12 C#CCC(C)(N)C(=O)O MCULE-8114982544 [1,1,0,0,0,0|0,0,2]=4 2717 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2326062849 [1,1,0,0,0,0|0,0,2]=4 2718 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2897598223 [1,1,0,0,0,0|0,0,2]=4 2719 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-6332359697 [1,1,0,0,0,0|0,0,2]=4 2720 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-9265618717 [1,1,0,0,0,0|0,0,2]=4 2721 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-2976528694 [1,1,0,0,0,0|0,0,2]=4 2722 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-7418052843 [1,1,0,0,0,0|0,0,2]=4 2723 B8R0.12 C=CCC(C)(N)C(=O)O MCULE-7144199889 [1,1,0,0,0,0|0,0,2]=4 2724 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-4753726738 [1,1,0,0,0,0|0,0,2]=4 2725 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-8270551752 [1,1,0,0,0,0|0,0,2]=4 2726 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-2471413685 [1,1,0,0,0,0|0,0,2]=4 2727 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-5595289174 [1,1,0,0,0,0|0,0,2]=4 2728 B8R0.12 CC(C)(CCN)C(=O)O MCULE-2948071531 [1,1,0,0,0,0|2,0,0]=4 2729 B8R0.12 CC(C)(CCN)C(=O)O MCULE-9113980340 [1,1,0,0,0,0|2,0,0]=4 2730 B8R0.12 CC(C)(CCO)C(=O)O MCULE-1566648548 [1,1,0,0,0,0|2,0,0]=4 2731 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [1,1,0,0,0,0|1,0,0]=3 2732 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [1,1,0,0,0,0|1,0,0]=3 2733 B8R0.12 CCCC(C)(C)C(=O)C MCULE-3472590451 [1,1,0,0,0,0|2,0,0]=4 2734 B8R0.12 CCCC(C)(C)C(=O)Cl MCULE-1035499713 [1,1,0,0,0,0|2,0,0]=4 2735 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [1,1,0,0,0,0|1,0,0]=3 2736 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [1,1,0,0,0,0|0,0,0]=2 2737 B8R0.12 CCCC(C)(O)C(=O)N MCULE-5398805490 [1,1,0,0,0,0|2,0,0]=4 2738 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [1,1,0,0,0,0|1,0,0]=3 2739 B8R0.12 CCCC(F)(F)C(=O)O MCULE-9926038462 [1,1,0,0,0,0|1,0,0]=3 2740 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [1,1,0,0,0,0|0,0,0]=2 2741 B8R0.12 CCNC(C)(C)C(=O)O MCULE-5196592202 [1,1,0,0,0,0|2,0,0]=4 2742 B8R0.12 CCNC(C)(C)C(=O)O MCULE-7185239447 [1,1,0,0,0,0|2,0,0]=4 2743 B8R0.12 CCOC(C)(C)C(=O)O MCULE-7344066576 [1,1,0,0,0,0|2,0,0]=4 2744 B8R0.12 CNCC(C)(C)C(=O)O MCULE-1701621773 [1,1,0,0,0,0|2,0,0]=4 2745 B8R0.12 CNCC(C)(C)C(=O)O MCULE-7669976515 [1,1,0,0,0,0|2,0,0]=4 2746 B8R0.12 CNCC(F)(F)C(=O)O MCULE-3707622806 [1,1,0,0,0,0|2,0,0]=4 2747 B8R0.12 CNCC(F)(F)C(=O)O MCULE-4421374171 [1,1,0,0,0,0|2,0,0]=4 2748 B8R0.12 COCC(C)(C)C(=O)O MCULE-9074673500 [1,1,0,0,0,0|2,0,0]=4 2749 B8R0.12 COCC(C)(N)C(=O)N MCULE-3533018780 [1,1,0,0,0,0|2,0,0]=4 2750 B8R0.12 COCC(C)(N)C(=O)N MCULE-9747751712 [1,1,0,0,0,0|2,0,0]=4 2751 B8R0.12 COCC(C)(O)C(=O)O MCULE-7674892239 [1,1,0,0,0,0|2,0,0]=4 2752 B8R0.12 COCC(F)(F)C(=O)O MCULE-6981513055 [1,1,0,0,0,0|2,0,0]=4 2753 B8R0.12 CSCC(C)(C)C(=O)O MCULE-8010872211 [1,1,0,0,0,0|2,0,0]=4 2754 B8R0.12 NCCC(F)(F)C(=O)O MCULE-3814517866 [1,1,0,0,0,0|2,0,0]=4 2755 B8R0.15 C#CC(OCC)C(=O)O MCULE-4920328481 [1,1,0,0,0,0|2,0,0]=4 2756 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [1,1,0,0,0,0|2,0,0]=4 2757 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [1,1,0,0,0,0|2,0,0]=4 2758 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [1,1,0,0,0,0|0,0,1]=3 2759 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [1,1,0,0,0,0|2,0,0]=4 2760 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [1,1,0,0,0,0|1,0,0]=3 2761 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [1,1,0,0,0,0|1,0,0]=3 2762 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [1,1,0,0,0,0|0,0,0]=2 2763 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [1,1,0,0,0,0|0,0,0]=2 2764 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [1,1,0,0,0,0|0,0,0]=2 2765 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [1,1,0,0,0,0|0,0,0]=2 2766 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [1,1,0,0,0,0|1,0,0]=3 2767 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [1,1,0,0,0,0|0,0,0]=2 2768 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [1,1,0,0,0,0|0,0,0]=2 2769 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [1,1,0,0,0,0|1,0,0]=3 2770 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [1,1,0,0,0,0|1,0,0]=3 2771 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [1,1,0,0,0,0|0,0,0]=2 2772 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [1,1,0,0,0,0|0,0,0]=2 2773 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [1,1,0,0,0,0|0,0,0]=2 2774 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [1,1,0,0,0,0|0,0,0]=2 2775 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [1,1,0,0,0,0|2,0,0]=4 2776 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [1,1,0,0,0,0|2,0,0]=4 2777 B8R0.15 CNC(CCN)C(=O)N MCULE-4176706453 [1,1,0,0,0,0|2,0,0]=4 2778 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [1,1,0,0,0,0|1,0,0]=3 2779 B8R0.15 CNC(COC)C(=O)N MCULE-9124173069 [1,1,0,0,0,0|2,0,0]=4 2780 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [1,1,0,0,0,0|1,0,0]=3 2781 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [1,1,0,0,0,0|1,0,0]=3 2782 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [1,1,0,0,0,0|1,0,0]=3 2783 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [1,1,0,0,0,0|1,0,0]=3 2784 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2651499559 [1,1,0,0,0,0|2,0,0]=4 2785 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2761071254 [1,1,0,0,0,0|2,0,0]=4 2786 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [1,1,0,0,0,0|1,0,0]=3 2787 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [1,1,0,0,0,0|1,0,0]=3 2788 B8R0.15 COC(CCN)C(=O)O MCULE-1510512790 [1,1,0,0,0,0|2,0,0]=4 2789 B8R0.15 COCC(OC)C(=O)O MCULE-5776685365 [1,1,0,0,0,0|2,0,0]=4 2790 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [1,1,0,0,0,0|1,0,0]=3 2791 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [1,1,0,0,0,0|1,0,0]=3 2792 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [1,1,0,0,0,0|0,0,0]=2 2793 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [1,1,0,0,0,0|1,0,0]=3 2794 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [1,1,0,0,0,0|0,0,2]=4 2795 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [1,1,0,0,0,0|0,0,2]=4 2796 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [1,1,0,0,0,0|0,0,2]=4 2797 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [1,1,0,0,0,0|0,0,2]=4 2798 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [1,1,0,0,0,0|0,0,2]=4 2799 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [1,1,0,0,0,0|1,0,1]=4 2800 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,1,0,0,0,0|0,0,1]=3 2801 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,1,0,0,0,0|0,0,1]=3 2802 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [1,1,0,0,0,0|1,0,1]=4 2803 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,1,0,0,0,0|0,0,1]=3 2804 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,1,0,0,0,0|0,0,1]=3 2805 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [1,1,0,0,0,0|1,0,1]=4 2806 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [1,1,0,0,0,0|0,0,2]=4 2807 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [1,1,0,0,0,0|0,0,2]=4 2808 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [1,1,0,0,0,0|2,0,0]=4 2809 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [1,1,0,0,0,0|1,0,0]=3 2810 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,1,0,0,0,0|1,0,1]=4 2811 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [1,1,0,0,0,0|0,0,1]=3 2812 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [1,1,0,0,0,0|0,0,1]=3 2813 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [1,1,0,0,0,0|1,0,1]=4 2814 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [1,1,0,0,0,0|1,0,1]=4 2815 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [1,1,0,0,0,0|1,0,0]=3 2816 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [1,1,0,0,0,0|1,0,0]=3 2817 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [1,1,0,0,0,0|1,0,0]=3 2818 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [1,1,0,0,0,0|1,0,0]=3 2819 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [1,1,0,0,0,0|1,0,0]=3 2820 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [1,1,0,0,0,0|1,0,0]=3 2821 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [1,1,0,0,0,0|1,0,0]=3 2822 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [1,1,0,0,0,0|0,0,0]=2 2823 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [1,1,0,0,0,0|0,0,0]=2 2824 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [1,1,0,0,0,0|1,0,0]=3 2825 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [1,1,0,0,0,0|1,0,0]=3 2826 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [1,1,0,0,0,0|1,0,0]=3 2827 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [1,1,0,0,0,0|1,0,0]=3 2828 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [1,1,0,0,0,0|1,0,0]=3 2829 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [1,1,0,0,0,0|0,0,0]=2 2830 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [1,1,0,0,0,0|0,0,0]=2 2831 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [1,1,0,0,0,0|1,0,0]=3 2832 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [1,1,0,0,0,0|1,0,0]=3 2833 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [1,1,0,0,0,0|1,0,0]=3 2834 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [1,1,0,0,0,0|1,0,0]=3 2835 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [1,1,0,0,0,0|1,0,0]=3 2836 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [1,1,0,0,0,0|1,0,0]=3 2837 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [1,1,0,0,0,0|1,0,0]=3 2838 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [1,1,0,0,0,0|1,0,0]=3 2839 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [1,1,0,0,0,0|1,0,0]=3 2840 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [1,1,0,0,0,0|1,0,0]=3 2841 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [1,1,0,0,0,0|0,0,0]=2 2842 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [1,1,0,0,0,0|0,0,0]=2 2843 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [1,1,0,0,0,0|0,0,0]=2 2844 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [1,1,0,0,0,0|1,0,0]=3 2845 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [1,1,0,0,0,0|1,0,0]=3 2846 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [1,1,0,0,0,0|2,0,0]=4 2847 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [1,1,0,0,0,0|2,0,0]=4 2848 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [1,1,0,0,0,0|2,0,0]=4 2849 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [1,1,0,0,0,0|2,0,0]=4 2850 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [1,1,0,0,0,0|2,0,0]=4 2851 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [1,1,0,0,0,0|2,0,0]=4 2852 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [1,1,0,0,0,0|2,0,0]=4 2853 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [1,1,0,0,0,0|2,0,0]=4 2854 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [1,1,0,0,0,0|1,0,0]=3 2855 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [1,1,0,0,0,0|1,0,0]=3 2856 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [1,1,0,0,0,0|2,0,0]=4 2857 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [1,1,0,0,0,0|1,0,0]=3 2858 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [1,1,0,0,0,0|1,0,0]=3 2859 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [1,1,0,0,0,0|1,0,0]=3 2860 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [1,1,0,0,0,0|1,0,0]=3 2861 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [1,1,0,0,0,0|1,0,0]=3 2862 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [1,1,0,0,0,0|2,0,0]=4 2863 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [1,1,0,0,0,0|1,0,0]=3 2864 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [1,1,0,0,0,0|1,0,0]=3 2865 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [1,1,0,0,0,0|1,0,0]=3 2866 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [1,1,0,0,0,0|0,0,0]=2 2867 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [1,1,0,0,0,0|0,0,0]=2 2868 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [1,1,0,0,0,0|1,0,0]=3 2869 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [1,1,0,0,0,0|1,0,1]=4 2870 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [1,1,0,0,0,0|1,0,1]=4 2871 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [1,1,0,0,0,0|1,0,1]=4 2872 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [1,1,0,0,0,0|1,0,1]=4 2873 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [1,1,0,0,0,0|1,0,1]=4 2874 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,1,0,0,0,0|1,0,1]=4 2875 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,1,0,0,0,0|1,0,1]=4 2876 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [1,1,0,0,0,0|1,0,1]=4 2877 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [1,1,0,0,0,0|1,0,0]=3 2878 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [1,1,0,0,0,0|1,0,0]=3 2879 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,1,0,0,0,0|1,0,1]=4 2880 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,1,0,0,0,0|1,0,1]=4 2881 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [1,1,0,0,0,0|1,0,1]=4 2882 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [1,1,0,0,0,0|1,0,0]=3 2883 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [1,1,0,0,0,0|1,0,0]=3 2884 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [1,1,0,0,0,0|1,0,0]=3 2885 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [1,1,0,0,0,0|1,0,0]=3 2886 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [1,1,0,0,0,0|2,0,0]=4 2887 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [1,1,0,0,0,0|2,0,0]=4 2888 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,1,0,0,0,0|1,0,1]=4 2889 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [1,1,0,0,0,0|1,0,0]=3 2890 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [1,1,0,0,0,0|1,0,0]=3 2891 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,1,0,0,0,0|1,0,1]=4 2892 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [1,1,0,0,0,0|1,0,0]=3 2893 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [1,1,0,0,0,0|1,0,0]=3 2894 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [1,1,0,0,0,0|1,0,0]=3 2895 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [1,1,0,0,0,0|1,0,0]=3 2896 B10R0.6 CCCCCC(C)CC(=O)C MCULE-9366517192 [0,1,0,0,0,1|2,0,0]=4 2897 B10R0.6 CCCCCC(C)CC(=O)O MCULE-2066533125 [0,1,0,0,0,1|1,0,0]=3 2898 B10R0.6 CCCCCC(C)OC(=O)Cl MCULE-6347220296 [0,1,0,0,0,1|2,0,0]=4 2899 B10R0.6 CCCCCC(N)CC(=O)O MCULE-1332766356 [0,1,0,0,0,1|0,0,0]=2 2900 B10R0.6 CCCCCC(N)CC(=O)O MCULE-6217126659 [0,1,0,0,0,1|0,0,0]=2 2901 B10R0.6 CCCCCC(O)CC(=O)O MCULE-4825961688 [0,1,0,0,0,1|1,0,0]=3 2902 B10R0.6 CCCCC[C@@H](O)CC(=O)O MCULE-2570880673 [0,1,0,0,0,1|1,0,0]=3 2903 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-3222730819 [0,1,0,0,0,1|1,0,0]=3 2904 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-6407518730 [0,1,0,0,0,1|1,0,0]=3 2905 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-4895569973 [0,1,0,0,0,1|0,0,0]=2 2906 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-7821167225 [0,1,0,0,0,1|0,0,0]=2 2907 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-8763571530 [0,1,0,0,0,1|0,0,0]=2 2908 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-9870503005 [0,1,0,0,0,1|0,0,0]=2 2909 B10R0.18 CCCCC(=O)CC(=O)OC MCULE-2441269867 [0,1,0,0,0,1|1,0,1]=4 2910 B10R0.18 CCCCC(C)NC(=O)SC MCULE-7773386181 [0,1,0,0,0,1|1,1,0]=4 2911 B10R0.18 CCCCC(O)CC(=O)OC MCULE-3777448851 [0,1,0,0,0,1|1,0,0]=3 2912 B10R0.32 CCCC(C)C(N)CC(=O)O MCULE-9134317193 [0,1,0,0,0,1|0,0,0]=2 2913 B10R0.32 CCOC(=O)[C@@H](N)CC(=O)O MCULE-8240292825 [0,1,0,0,0,1|1,0,1]=4 2914 B10R0.44 CCC(C)CC(=CC(=O)O)C MCULE-1620434072 [0,1,0,0,0,1|1,0,1]=4 2915 B10R0.81 CCCCC(N)C(O)C(=O)O MCULE-9772584692 [0,1,0,0,0,1|0,0,0]=2 2916 B10R0.81 CCCC[C@@H](N)[C@H](O)C(=O)O MCULE-8826953669 [0,1,0,0,0,1|0,0,0]=2 2917 B10R0.81 CCCC[C@H](N)[C@H](O)C(=O)O MCULE-6737057860 [0,1,0,0,0,1|0,0,0]=2 2918 B10R0.81 COCCC(C)C(N)C(=O)O MCULE-6609752945 [0,1,0,0,0,1|2,0,0]=4 2919 B10R0.87 CCCCC(CC)CC(=O)C MCULE-4325342616 [0,1,0,0,0,1|2,0,0]=4 2920 B10R0.87 CCCCC(CC)CC(=O)O MCULE-3612456700 [0,1,0,0,0,1|1,0,0]=3 2921 B10R0.87 CCCCC(CC)OC(=O)C MCULE-2257138546 [0,1,0,0,0,1|2,0,0]=4 2922 B10R0.96 CC(C)CCC(C)CC(=O)O MCULE-4888752092 [0,1,0,0,0,1|1,0,0]=3 2923 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,1,0,0,0,1|1,0,1]=4 2924 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,1,0,0,0,1|1,0,1]=4 2925 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,1,0,0,0,1|1,0,1]=4 2926 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,1,0,0,0,1|1,0,1]=4 2927 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,1,0,0,0,1|1,0,1]=4 2928 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,1,0,0,0,1|1,0,1]=4 2929 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,1,0,0,0,1|1,0,1]=4 2930 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,1,0,0,0,1|1,0,1]=4 2931 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,1,0,0,0,1|1,0,1]=4 2932 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,1,0,0,0,1|1,0,1]=4 2933 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,1,0,0,0,1|1,0,1]=4 2934 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,1,0,0,0,1|1,0,1]=4 2935 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,1,0,0,0,1|1,0,1]=4 2936 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,1,0,0,0,1|1,0,1]=4 2937 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,1,0,0,0,1|1,0,1]=4 2938 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,1,0,0,0,1|1,0,1]=4 2939 B10R0.122 CCCCS(=O)(=O)CC(=O)O MCULE-9125747616 [0,1,0,0,0,1|2,0,0]=4 2940 B10R0.5 CCCCC[C@H](N)P(=O)(O)O MCULE-5419319712 [0,2,0,0,0,0|1,0,0]=3 2941 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-2960070749 [0,2,0,0,0,0|1,0,1]=4 2942 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-7223559986 [0,2,0,0,0,0|1,0,1]=4 2943 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-3196057448 [0,2,0,0,0,0|1,0,1]=4 2944 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-4987228190 [0,2,0,0,0,0|1,0,1]=4 2945 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-8785750681 [0,2,0,0,0,0|1,0,1]=4 2946 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-9094583167 [0,2,0,0,0,0|1,0,1]=4 2947 B10R0.13 CC(C)CC(N)C(O)C(=O)O MCULE-9980432688 [0,2,0,0,0,0|1,0,0]=3 2948 B10R0.13 CC(C)C[C@H](N)C(O)C(=O)O MCULE-3791004089 [0,2,0,0,0,0|1,0,0]=3 2949 B10R0.13 CC(C)C[C@H](N)C(O)C(=O)O MCULE-4811723103 [0,2,0,0,0,0|1,0,0]=3 2950 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O MCULE-4375883872 [0,2,0,0,0,0|1,0,0]=3 2951 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O MCULE-9315705992 [0,2,0,0,0,0|1,0,0]=3 2952 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,2,0,0,0,0|1,0,1]=4 2953 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,2,0,0,0,0|1,0,1]=4 2954 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,2,0,0,0,0|1,0,1]=4 2955 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,2,0,0,0,0|1,0,1]=4 2956 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,2,0,0,0,0|1,0,1]=4 2957 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,2,0,0,0,0|1,0,1]=4 2958 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-1338240271 [0,2,0,0,0,0|2,0,0]=4 2959 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-4363749577 [0,2,0,0,0,0|2,0,0]=4 2960 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-9373817144 [0,2,0,0,0,0|2,0,0]=4 2961 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-2779105414 [0,2,0,0,0,0|2,0,0]=4 2962 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-5681010723 [0,2,0,0,0,0|2,0,0]=4 2963 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7997735324 [0,2,0,0,0,0|2,0,0]=4 2964 B10R0.56 O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-9899945314 [0,2,0,0,0,0|2,0,0]=4 2965 B10R0.56 O=C(O)[C@H](O)[C@H](O)[C@H](O)CO MCULE-7616681724 [0,2,0,0,0,0|2,0,0]=4 2966 B10R0.104 CCCS(=O)(=O)C(C)C(=O)O MCULE-2314162370 [0,2,0,0,0,0|2,0,0]=4 2967 B10R0.43 CC(=O)CCC(C)(C)C(=O)O MCULE-7949244890 [0,2,0,0,0,0|1,0,1]=4 2968 B10R0.43 CC(C)CCC(C)(C)C(=O)O MCULE-6233646557 [0,2,0,0,0,0|1,0,0]=3 2969 B10R0.43 CC(C)CCC(C)(N)C(=O)N MCULE-8584816462 [0,2,0,0,0,0|1,0,0]=3 2970 B10R0.43 CC(C)CCC(C)(N)C(=O)O MCULE-2123997656 [0,2,0,0,0,0|0,0,0]=2 2971 B10R0.43 CC(C)CCC(C)(N)C(=O)O MCULE-6592793938 [0,2,0,0,0,0|0,0,0]=2 2972 B10R0.43 CC(C)CCC(C)(O)C(=O)O MCULE-7779948223 [0,2,0,0,0,0|1,0,0]=3 2973 B10R0.43 CC(N)(CCC(=O)O)C(=O)O MCULE-3734637690 [0,2,0,0,0,0|1,0,1]=4 2974 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O MCULE-5201150112 [0,2,0,0,0,0|1,0,1]=4 2975 B10R0.57 C(N)(CCC(=O)O)C(=O)OC MCULE-6082605624 [0,2,0,0,0,0|1,0,1]=4 2976 B10R0.57 CNC(=O)[C@@H](N)CCC(C)C MCULE-7741553597 [0,2,0,0,0,0|1,0,0]=3 2977 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-3871381696 [0,2,0,0,0,0|1,0,1]=4 2978 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-6424537354 [0,2,0,0,0,0|1,0,1]=4 2979 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-3294558028 [0,2,0,0,0,0|1,0,1]=4 2980 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-4645787805 [0,2,0,0,0,0|1,0,1]=4 2981 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-8573479107 [0,2,0,0,0,0|1,0,1]=4 2982 B10R0.57 COC(=O)C(N)CCC(C)C MCULE-4661683975 [0,2,0,0,0,0|0,0,0]=2 2983 B10R0.57 COC(=O)C(N)CCC(C)C MCULE-8175830083 [0,2,0,0,0,0|0,0,0]=2 2984 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-2647128583 [0,2,0,0,0,0|1,0,1]=4 2985 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-3301910394 [0,2,0,0,0,0|1,0,1]=4 2986 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-6377888321 [0,2,0,0,0,0|1,0,1]=4 2987 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-8642069122 [0,2,0,0,0,0|1,0,1]=4 2988 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3694424519 [0,2,0,0,0,0|1,0,1]=4 2989 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3908913342 [0,2,0,0,0,0|1,0,1]=4 2990 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-3332396919 [0,2,0,0,0,0|1,0,1]=4 2991 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-4801234666 [0,2,0,0,0,0|1,0,1]=4 2992 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-5791932848 [0,2,0,0,0,0|1,0,1]=4 2993 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-7827323262 [0,2,0,0,0,0|1,0,1]=4 2994 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-4899971591 [0,2,0,0,0,0|1,0,1]=4 2995 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-5340713177 [0,2,0,0,0,0|1,0,1]=4 2996 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-6573369964 [0,2,0,0,0,0|1,0,1]=4 2997 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-9402335659 [0,2,0,0,0,0|1,0,1]=4 2998 B10R0.82 CNC(=O)CCC(N)C(=O)O MCULE-2815144960 [0,2,0,0,0,0|0,0,1]=3 2999 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-2008488408 [0,2,0,0,0,0|1,0,1]=4 3000 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-4056733947 [0,2,0,0,0,0|1,0,1]=4 3001 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1417445261 [0,2,0,0,0,0|0,0,1]=3 3002 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1495018790 [0,2,0,0,0,0|0,0,1]=3 3003 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-3233905582 [0,2,0,0,0,0|0,0,1]=3 3004 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-4870656159 [0,2,0,0,0,0|0,0,1]=3 3005 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-4563541396 [0,2,0,0,0,0|1,0,1]=4 3006 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5542631622 [0,2,0,0,0,0|1,0,1]=4 3007 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5671338567 [0,2,0,0,0,0|1,0,1]=4 3008 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-7766792787 [0,2,0,0,0,0|1,0,1]=4 3009 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-1607830290 [0,2,0,0,0,0|0,0,1]=3 3010 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7380350089 [0,2,0,0,0,0|0,0,1]=3 3011 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7654158848 [0,2,0,0,0,0|0,0,1]=3 3012 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-8680968839 [0,2,0,0,0,0|0,0,1]=3 3013 B10R0.82 COC(C)COC(C)C(=O)O MCULE-1581882016 [0,2,0,0,0,0|2,0,0]=4 3014 B10R0.82 NC(CCC(=O)NO)C(=O)O MCULE-9353366308 [0,2,0,0,0,0|1,0,1]=4 3015 B10R0.82 NC(CCP(=O)CO)C(=O)O MCULE-2901685887 [0,2,0,0,0,0|1,0,0]=3 3016 B10R0.82 NC(CCP(=O)CO)C(=O)[O-] MCULE-4812114882 [0,2,0,0,0,0|1,0,1]=4 3017 B10R0.82 NCC(F)CCC(N)C(=O)O MCULE-5359725270 [0,2,0,0,0,0|0,0,0]=2 3018 B10R0.82 NCC(F)CCC(N)C(=O)O MCULE-7837362209 [0,2,0,0,0,0|0,0,0]=2 3019 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6064290143 [0,2,0,0,0,0|0,0,0]=2 3020 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6546706417 [0,2,0,0,0,0|0,0,0]=2 3021 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-4925093695 [0,2,0,0,0,0|0,0,0]=2 3022 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-7103430731 [0,2,0,0,0,0|0,0,0]=2 3023 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-1390178110 [0,2,0,0,0,0|0,0,0]=2 3024 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-7788161688 [0,2,0,0,0,0|0,0,0]=2 3025 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,2,0,0,0,0|1,0,1]=4 3026 B10R0.84 CCC(CCC(C)C)C(=O)N MCULE-9855457734 [0,2,0,0,0,0|2,0,0]=4 3027 B10R0.84 CCC(CCC(C)C)C(=O)O MCULE-5167744478 [0,2,0,0,0,0|1,0,0]=3 3028 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [0,2,0,0,0,0|1,0,1]=4 3029 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [0,2,0,0,0,0|1,0,1]=4 3030 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [0,2,0,0,0,0|1,0,1]=4 3031 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [0,2,0,0,0,0|1,0,1]=4 3032 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [0,2,0,0,0,0|1,0,1]=4 3033 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [0,2,0,0,0,0|1,0,1]=4 3034 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [0,2,0,0,0,0|1,0,1]=4 3035 B10R0.92 CC(C)(C)CCC(=O)C(=O)O MCULE-9335475635 [0,2,0,0,0,0|1,0,1]=4 3036 B10R0.92 CC(C)(C)CCC(N)C(=O)N MCULE-1396813261 [0,2,0,0,0,0|1,0,0]=3 3037 B10R0.92 CC(C)(C)CCC(N)C(=O)N MCULE-2019136789 [0,2,0,0,0,0|1,0,0]=3 3038 B10R0.92 CC(C)(C)CCC(N)C(=O)O MCULE-5001409958 [0,2,0,0,0,0|0,0,0]=2 3039 B10R0.92 CC(C)(C)CCC(N)C(=O)O MCULE-7547332237 [0,2,0,0,0,0|0,0,0]=2 3040 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O MCULE-3569540908 [0,2,0,0,0,0|0,0,0]=2 3041 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O MCULE-9483102958 [0,2,0,0,0,0|0,0,0]=2 3042 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O MCULE-5183011899 [0,2,0,0,0,0|0,0,0]=2 3043 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O MCULE-8076963991 [0,2,0,0,0,0|0,0,0]=2 3044 B10R0.92 CC(C)(C)OCC(N)C(=O)N MCULE-9645045737 [0,2,0,0,0,0|2,0,0]=4 3045 B10R0.92 CC(C)(C)OCC(N)C(=O)O MCULE-6462898252 [0,2,0,0,0,0|1,0,0]=3 3046 B10R0.92 CC(C)(C)OCC(N)C(=O)O MCULE-9631494633 [0,2,0,0,0,0|1,0,0]=3 3047 B10R0.92 CC(C)(C)OCC(O)C(=O)O MCULE-6418183642 [0,2,0,0,0,0|2,0,0]=4 3048 B10R0.92 CC(C)(C)OCC(O)C(=O)O MCULE-9686572497 [0,2,0,0,0,0|2,0,0]=4 3049 B10R0.92 CC(C)(C)OC[C@@H](Br)C(=O)O MCULE-2298892819 [0,2,0,0,0,0|2,0,0]=4 3050 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O MCULE-7410607527 [0,2,0,0,0,0|1,0,0]=3 3051 B10R0.92 CC(C)(C)OC[C@@H](O)C(=O)O MCULE-4301712117 [0,2,0,0,0,0|2,0,0]=4 3052 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)N MCULE-2757362095 [0,2,0,0,0,0|2,0,0]=4 3053 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)N MCULE-7385946163 [0,2,0,0,0,0|2,0,0]=4 3054 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O MCULE-2266340915 [0,2,0,0,0,0|1,0,0]=3 3055 B10R0.92 CC(C)(C)OC[C@H](O)C(=O)O MCULE-2235537052 [0,2,0,0,0,0|2,0,0]=4 3056 B10R0.92 CC(C)(C)OC[C@H](O)C(=O)O MCULE-5717525131 [0,2,0,0,0,0|2,0,0]=4 3057 B10R0.92 CC(C)(C)SCC(N)C(=O)O MCULE-1079539613 [0,2,0,0,0,0|1,0,0]=3 3058 B10R0.92 CC(C)(C)SCC(N)C(=O)O MCULE-1875135296 [0,2,0,0,0,0|1,0,0]=3 3059 B10R0.92 CC(C)(C)SCC(N)C(=O)O MCULE-4865346205 [0,2,0,0,0,0|1,0,0]=3 3060 B10R0.92 CC(C)(C)SCC(N)C(=O)O MCULE-6481407686 [0,2,0,0,0,0|1,0,0]=3 3061 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O MCULE-3014422223 [0,2,0,0,0,0|1,0,0]=3 3062 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O MCULE-5459211848 [0,2,0,0,0,0|1,0,0]=3 3063 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O MCULE-6410708740 [0,2,0,0,0,0|1,0,0]=3 3064 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O MCULE-7812994900 [0,2,0,0,0,0|1,0,0]=3 3065 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O MCULE-1228858016 [0,2,0,0,0,0|1,0,0]=3 3066 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O MCULE-6674296625 [0,2,0,0,0,0|1,0,0]=3 3067 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O MCULE-8460687095 [0,2,0,0,0,0|1,0,0]=3 3068 B10R0.92 CC(CCC(C)(C)C)C(=O)O MCULE-1597063738 [0,2,0,0,0,0|1,0,0]=3 3069 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,2,0,0,0,0|1,0,0]=3 3070 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,2,0,0,0,0|1,0,0]=3 3071 B10R0.92 CP(=O)([O-])CCC(N)C(=O)[O-] MCULE-3285075792 [0,2,0,0,0,0|1,0,1]=4 3072 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2268954465 [0,2,0,0,0,0|1,0,0]=3 3073 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2804558075 [0,2,0,0,0,0|1,0,0]=3 3074 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-7485004955 [0,2,0,0,0,0|1,0,0]=3 3075 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(=O)O MCULE-3997574746 [0,2,0,0,0,0|1,0,0]=3 3076 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-1068341907 [0,2,0,0,0,0|1,0,0]=3 3077 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-3093123817 [0,2,0,0,0,0|1,0,0]=3 3078 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N MCULE-2040686966 [0,2,0,0,0,0|2,0,0]=4 3079 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N MCULE-6821893612 [0,2,0,0,0,0|2,0,0]=4 3080 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MCULE-8107053430 [0,2,0,0,0,0|1,0,0]=3 3081 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-1126326759 [0,2,0,0,0,0|1,0,0]=3 3082 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-3558725435 [0,2,0,0,0,0|1,0,0]=3 3083 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-2269540933 [0,2,0,0,0,0|1,0,0]=3 3084 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-4203364916 [0,2,0,0,0,0|1,0,0]=3 3085 B10R0.92 CS(=O)(=O)SCC(N)C(=O)O MCULE-1061975394 [0,2,0,0,0,0|2,0,0]=4 3086 B10R0.92 NC(=O)C(N)CCC(F)(F)F MCULE-1933292877 [0,2,0,0,0,0|2,0,0]=4 3087 B10R0.92 NC(=O)C(N)CCC(F)(F)F MCULE-6105448950 [0,2,0,0,0,0|2,0,0]=4 3088 B10R0.92 NC(=O)C(N)CCC(F)(F)F MCULE-8287327698 [0,2,0,0,0,0|2,0,0]=4 3089 B10R0.92 NC(=O)C(N)CCC(F)(F)F MCULE-8376186987 [0,2,0,0,0,0|2,0,0]=4 3090 B10R0.92 NC(=O)[C@H](N)CCC(F)(F)F MCULE-2502695195 [0,2,0,0,0,0|2,0,0]=4 3091 B10R0.92 NC(=O)[C@H](N)CCC(F)(F)F MCULE-2562862608 [0,2,0,0,0,0|2,0,0]=4 3092 B10R0.92 NC(=O)[C@H](N)CCC(F)(F)F MCULE-3245569946 [0,2,0,0,0,0|2,0,0]=4 3093 B10R0.92 NC(=O)[C@H](N)CCC(F)(F)F MCULE-6158419745 [0,2,0,0,0,0|2,0,0]=4 3094 B10R0.92 NC(CCC(F)(F)F)C(=O)O MCULE-7800257085 [0,2,0,0,0,0|1,0,0]=3 3095 B10R0.92 NC(CCC(F)(F)F)C(=O)O MCULE-7974302824 [0,2,0,0,0,0|1,0,0]=3 3096 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,2,0,0,0,0|2,0,0]=4 3097 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,2,0,0,0,0|2,0,0]=4 3098 B10R0.92 NC(COC(F)(F)F)C(=O)O MCULE-4034987910 [0,2,0,0,0,0|2,0,0]=4 3099 B10R0.92 NC(COC(F)(F)F)C(=O)O MCULE-9996061787 [0,2,0,0,0,0|2,0,0]=4 3100 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O MCULE-2676514158 [0,2,0,0,0,0|1,0,0]=3 3101 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O MCULE-3530029878 [0,2,0,0,0,0|1,0,0]=3 3102 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O MCULE-4027730290 [0,2,0,0,0,0|1,0,0]=3 3103 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O MCULE-5522273226 [0,2,0,0,0,0|1,0,0]=3 3104 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,2,0,0,0,0|2,0,0]=4 3105 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,2,0,0,0,0|2,0,0]=4 3106 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,2,0,0,0,0|2,0,0]=4 3107 B10R0.92 N[C@@H](COC(F)(F)F)C(=O)O MCULE-5848549731 [0,2,0,0,0,0|2,0,0]=4 3108 B10R0.92 N[C@@H](CSC(F)(F)F)C(=O)O MCULE-6385936964 [0,2,0,0,0,0|2,0,0]=4 3109 B10R0.92 N[C@H](CCC(F)(F)F)C(=O)O MCULE-4321285531 [0,2,0,0,0,0|1,0,0]=3 3110 B10R0.92 N[C@H](CCC(F)(F)F)C(=O)O MCULE-7078646886 [0,2,0,0,0,0|1,0,0]=3 3111 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,2,0,0,0,0|2,0,0]=4 3112 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,2,0,0,0,0|2,0,0]=4 3113 B10R0.92 O=C(O)C(Br)CCC(F)(F)F MCULE-5601834772 [0,2,0,0,0,0|2,0,0]=4 3114 B10R0.92 [C@@H](N)(COC(C)(C)C)C(=O)O MCULE-5796384472 [0,2,0,0,0,0|1,0,0]=3 3115 B10R0.92 [C@H](N)(COC(C)(C)C)C(=O)O MCULE-4480261753 [0,2,0,0,0,0|1,0,0]=3 3116 B10R0.92 [C@H](N)(CSC(C)(C)C)C(=O)O MCULE-7444858381 [0,2,0,0,0,0|1,0,0]=3 3117 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,2,0,0,0,0|1,0,1]=4 3118 B10R0.93 CC(CN(C)C(C)C)C(=O)O MCULE-5853455073 [0,2,0,0,0,0|2,0,0]=4 3119 B10R0.93 CC(CN(C)C(C)C)C(=O)O MCULE-6179331704 [0,2,0,0,0,0|2,0,0]=4 3120 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,2,0,0,0,0|1,0,1]=4 3121 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,2,0,0,0,0|1,0,1]=4 3122 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,2,0,0,0,0|1,0,1]=4 3123 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,2,0,0,0,0|1,0,1]=4 3124 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,2,0,0,0,0|1,0,1]=4 3125 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,2,0,0,0,0|1,0,1]=4 3126 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,2,0,0,0,0|1,0,1]=4 3127 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,2,0,0,0,0|1,0,1]=4 3128 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,2,0,0,0,0|1,0,1]=4 3129 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,2,0,0,0,0|1,0,1]=4 3130 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,2,0,0,0,0|1,0,1]=4 3131 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,2,0,0,0,0|1,0,1]=4 3132 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,2,0,0,0,0|1,0,1]=4 3133 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,2,0,0,0,0|1,0,1]=4 3134 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,2,0,0,0,0|1,0,1]=4 3135 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,2,0,0,0,0|1,0,1]=4 3136 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,2,0,0,0,0|1,0,1]=4 3137 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,2,0,0,0,0|1,0,1]=4 3138 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,2,0,0,0,0|1,0,1]=4 3139 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,2,0,0,0,0|1,0,1]=4 3140 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,2,0,0,0,0|1,0,1]=4 3141 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,2,0,0,0,0|1,0,1]=4 3142 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,2,0,0,0,0|1,0,1]=4 3143 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,2,0,0,0,0|1,0,1]=4 3144 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,2,0,0,0,0|1,0,1]=4 3145 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,2,0,0,0,0|1,0,1]=4 3146 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,2,0,0,0,0|1,0,1]=4 3147 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,2,0,0,0,0|1,0,1]=4 3148 B10R0.19 C=CCCC(N)C(=O)OCC MCULE-9483839800 [0,2,0,0,0,0|0,0,2]=4 3149 B10R0.19 CCCCC(=O)C(=O)OCC MCULE-8276085890 [0,2,0,0,0,0|1,0,1]=4 3150 B10R0.19 CCCCC(Br)C(=O)OCC MCULE-3410486181 [0,2,0,0,0,0|1,0,0]=3 3151 B10R0.19 CCCCC(N)C(=O)OCC MCULE-5403085036 [0,2,0,0,0,0|0,0,0]=2 3152 B10R0.19 CCCCC(O)C(=O)OCC MCULE-4503955337 [0,2,0,0,0,0|1,0,0]=3 3153 B10R0.19 CCOC(=O)C(Br)CCCBr MCULE-3762513838 [0,2,0,0,0,0|2,0,0]=4 3154 B10R0.19 CCOC(=O)C(N)CCCN MCULE-2555939527 [0,2,0,0,0,0|1,0,0]=3 3155 B10R0.19 CCOC(=O)C(N)CCCN MCULE-4082808351 [0,2,0,0,0,0|1,0,0]=3 3156 B10R0.19 CCOC(=O)C(N)CCCN MCULE-5372876457 [0,2,0,0,0,0|1,0,0]=3 3157 B10R0.19 CCOC(=O)C(N)CCCN MCULE-8592429166 [0,2,0,0,0,0|1,0,0]=3 3158 B10R0.19 CCOC(=O)C(N)CCSC MCULE-3027327514 [0,2,0,0,0,0|1,0,0]=3 3159 B10R0.19 CCOC(=O)C(N)CCSC MCULE-5873613959 [0,2,0,0,0,0|1,0,0]=3 3160 B10R0.19 CCOC(=O)C(N)CCSC MCULE-6683307625 [0,2,0,0,0,0|1,0,0]=3 3161 B10R0.19 CCOC(=O)C(N)CCSC MCULE-9963255300 [0,2,0,0,0,0|1,0,0]=3 3162 B10R0.19 CCOC(=O)C(O)CCSC MCULE-5087273039 [0,2,0,0,0,0|2,0,0]=4 3163 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-1256058333 [0,2,0,0,0,0|1,0,0]=3 3164 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-1955429029 [0,2,0,0,0,0|1,0,0]=3 3165 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-5817990493 [0,2,0,0,0,0|1,0,0]=3 3166 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-6543729272 [0,2,0,0,0,0|1,0,0]=3 3167 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-6712624243 [0,2,0,0,0,0|1,0,0]=3 3168 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-2603296581 [0,2,0,0,0,0|1,0,0]=3 3169 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6126904564 [0,2,0,0,0,0|1,0,0]=3 3170 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6254414481 [0,2,0,0,0,0|1,0,0]=3 3171 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6350339090 [0,2,0,0,0,0|1,0,0]=3 3172 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-4024487209 [0,2,0,0,0,0|1,0,0]=3 3173 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-4906972094 [0,2,0,0,0,0|1,0,0]=3 3174 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-5780620225 [0,2,0,0,0,0|1,0,0]=3 3175 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-6331108043 [0,2,0,0,0,0|1,0,0]=3 3176 B10R0.46 CCC(C)CC(N)C(=O)OC MCULE-8079693097 [0,2,0,0,0,0|0,0,0]=2 3177 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-1114099871 [0,2,0,0,0,0|1,0,1]=4 3178 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-3051634308 [0,2,0,0,0,0|1,0,1]=4 3179 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-6777150813 [0,2,0,0,0,0|1,0,1]=4 3180 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-8623143776 [0,2,0,0,0,0|1,0,1]=4 3181 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-1851128210 [0,2,0,0,0,0|1,0,1]=4 3182 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-2435405009 [0,2,0,0,0,0|1,0,1]=4 3183 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-5664472093 [0,2,0,0,0,0|1,0,1]=4 3184 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-9555102277 [0,2,0,0,0,0|1,0,1]=4 3185 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-1761054458 [0,2,0,0,0,0|1,0,1]=4 3186 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-2463653671 [0,2,0,0,0,0|1,0,1]=4 3187 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-8138790792 [0,2,0,0,0,0|1,0,1]=4 3188 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-9097536857 [0,2,0,0,0,0|1,0,1]=4 3189 B10R0.83 C=CCCCC(N)C(=O)OC MCULE-1972402066 [0,2,0,0,0,0|0,0,1]=3 3190 B10R0.83 CCCCCC(N)C(=O)NC MCULE-6020353560 [0,2,0,0,0,0|1,0,0]=3 3191 B10R0.83 CCCCCC(N)C(=O)OC MCULE-2018052401 [0,2,0,0,0,0|0,0,0]=2 3192 B10R0.83 CCCCCC(N)C(=O)OC MCULE-5487541008 [0,2,0,0,0,0|0,0,0]=2 3193 B10R0.83 CCCCCC(O)C(=O)OC MCULE-9996510127 [0,2,0,0,0,0|1,0,0]=3 3194 B10R0.83 CCCCC[C@H](N)C(=O)NC MCULE-9979996978 [0,2,0,0,0,0|1,0,0]=3 3195 B10R0.83 CNC(=O)[C@@H](N)CCCCN MCULE-4853574180 [0,2,0,0,0,0|1,0,0]=3 3196 B10R0.83 COC(=O)C(C)CSCCO MCULE-1337971468 [0,2,0,0,0,0|2,0,0]=4 3197 B10R0.83 COC(=O)C(N)CCCCN MCULE-4653959448 [0,2,0,0,0,0|0,0,0]=2 3198 B10R0.83 COC(=O)C(N)CCCCN MCULE-5717864681 [0,2,0,0,0,0|0,0,0]=2 3199 B10R0.83 COC(=O)C(N)CCCCN MCULE-8914801986 [0,2,0,0,0,0|0,0,0]=2 3200 B10R0.83 COC(=O)C(N)CCCCO MCULE-5166100554 [0,2,0,0,0,0|0,0,0]=2 3201 B10R0.83 COC(=O)C(N)CCCCO MCULE-6738034786 [0,2,0,0,0,0|0,0,0]=2 3202 B10R0.83 COC(=O)C([NH3+])CCCC[NH3+] MCULE-3249374734 [0,2,0,0,0,0|0,0,1]=3 3203 B10R0.83 COC(=O)[C@@H](N)CCCCN MCULE-1350520573 [0,2,0,0,0,0|0,0,0]=2 3204 B10R0.83 COC(=O)[C@@H](N)CCCCN MCULE-6307487491 [0,2,0,0,0,0|0,0,0]=2 3205 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-2204531892 [0,2,0,0,0,0|0,0,0]=2 3206 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-2624615589 [0,2,0,0,0,0|0,0,0]=2 3207 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-6994501008 [0,2,0,0,0,0|0,0,0]=2 3208 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-7046980735 [0,2,0,0,0,0|0,0,0]=2 3209 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-7404594930 [0,2,0,0,0,0|0,0,0]=2 3210 B10R0.83 NCCCC[C@H](N)C(=O)CCl MCULE-8447625474 [0,2,0,0,0,0|1,0,0]=3 3211 B10R0.83 NCCCC[C@H](N)C(=O)NO MCULE-6731609596 [0,2,0,0,0,0|0,0,0]=2 3212 B10R0.83 [C@H](N)(CCCCN)C(=O)OC MCULE-5018936719 [0,2,0,0,0,0|0,0,0]=2 3213 B10R0.83 [C@H](N)(CCCCN)C(=O)OC MCULE-8447837964 [0,2,0,0,0,0|0,0,0]=2 3214 B10R0.85 CCCCC(CC)C(=O)NC MCULE-4302699577 [0,2,0,0,0,0|2,0,0]=4 3215 B10R0.85 CCCCC(CC)C(=O)NN MCULE-5302964335 [0,2,0,0,0,0|2,0,0]=4 3216 B10R0.85 CCCCC(CC)C(=O)NO MCULE-8893204526 [0,2,0,0,0,0|1,0,0]=3 3217 B10R0.85 CCCCC(CC)C(=O)OC MCULE-4166830485 [0,2,0,0,0,0|1,0,0]=3 3218 B10R0.85 CCCCC(NC)C(=O)OC MCULE-3306743514 [0,2,0,0,0,0|0,0,0]=2 3219 B10R0.85 CCOCC(C#N)C(=O)OC MCULE-7712050609 [0,2,0,0,0,0|1,0,1]=4 3220 B10R0.85 CCOCC(NC)C(=O)OC MCULE-3754557546 [0,2,0,0,0,0|1,0,0]=3 3221 B10R0.124 CCCCC(F)(F)C(=O)OC MCULE-4824708830 [0,2,0,0,0,0|1,0,0]=3 3222 B10R0.124 CCCNC(C)(C)C(=O)OC MCULE-9760687110 [0,2,0,0,0,0|2,0,0]=4 3223 B10R0.124 COC(=O)C(C)(C)CCCBr MCULE-1575838226 [0,2,0,0,0,0|2,0,0]=4 3224 B10R0.124 COC(=O)C(C)(C)CCCCl MCULE-1378136073 [0,2,0,0,0,0|2,0,0]=4 3225 B10R0.124 COC(=O)C(C)(N)CCC#N MCULE-3256295507 [0,2,0,0,0,0|1,0,1]=4 3226 B10R0.124 COCCC(C)(N)C(=O)OC MCULE-5268429900 [0,2,0,0,0,0|1,0,0]=3 3227 B10R0.17 CCCCC(C(=O)C)C(=O)C MCULE-7952862116 [0,2,0,0,0,0|2,0,0]=4 3228 B10R0.17 CCCCC(C(=O)N)N(C)C MCULE-7015491719 [0,2,0,0,0,0|1,0,0]=3 3229 B10R0.17 CCCCC(C(=O)O)C(=O)O MCULE-4493343687 [0,2,0,0,0,0|1,0,0]=3 3230 B10R0.17 CCCCC(C(=O)O)C(C)C MCULE-9724362832 [0,2,0,0,0,0|1,0,0]=3 3231 B10R0.17 CCCCC(C(=O)O)N(C)C MCULE-6841521624 [0,2,0,0,0,0|0,0,0]=2 3232 B10R0.17 CCCC[C@H](C(=O)O)N(C)C MCULE-9240540420 [0,2,0,0,0,0|0,0,0]=2 3233 B10R0.17 CCCNC(C(=O)O)C(C)C MCULE-3668478974 [0,2,0,0,0,0|2,0,0]=4 3234 B10R0.17 CCCNC(C(=O)O)C(C)C MCULE-6730955968 [0,2,0,0,0,0|2,0,0]=4 3235 B10R0.17 CSCCC(C(=O)O)N(C)C MCULE-9926404769 [0,2,0,0,0,0|1,0,0]=3 3236 B10R0.17 CSCC[C@@H](C(=O)O)N(C)C MCULE-5085715326 [0,2,0,0,0,0|1,0,0]=3 3237 B10R0.17 CSCC[C@H](C(=O)O)N(C)C MCULE-7026121281 [0,2,0,0,0,0|1,0,0]=3 3238 B10R0.17 NCCCC(C(=O)O)C(=O)O MCULE-4043949471 [0,2,0,0,0,0|2,0,0]=4 3239 B10R0.86 CCCCCC(CC)C(=O)C MCULE-1913128605 [0,2,0,0,0,0|2,0,0]=4 3240 B10R0.86 CCCCCC(CC)C(=O)O MCULE-3515775261 [0,2,0,0,0,0|1,0,0]=3 3241 B10R0.86 CNC(CCCCN)C(=O)O MCULE-3351204873 [0,2,0,0,0,0|0,0,0]=2 3242 B10R0.86 CNC(CCCCN)C(=O)O MCULE-6279634717 [0,2,0,0,0,0|0,0,0]=2 3243 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-1289342070 [0,2,0,0,0,0|0,0,0]=2 3244 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-4082358865 [0,2,0,0,0,0|0,0,0]=2 3245 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-5920807456 [0,2,0,0,0,0|0,0,0]=2 3246 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-9072694055 [0,2,0,0,0,0|0,0,0]=2 3247 B10R0.88 CCCC(CCCO)C(=O)O MCULE-4581279785 [0,2,0,0,0,0|2,0,0]=4 3248 B10R0.88 CCCCC(CCC)C(=O)C MCULE-9579571137 [0,2,0,0,0,0|2,0,0]=4 3249 B10R0.88 CCCCC(CCC)C(=O)O MCULE-6453713560 [0,2,0,0,0,0|1,0,0]=3 3250 B10R0.88 CCCCC(OCC)C(=O)O MCULE-8965525992 [0,2,0,0,0,0|1,0,0]=3 3251 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-4509479689 [0,2,0,0,0,0|0,0,0]=2 3252 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-9386007072 [0,2,0,0,0,0|0,0,0]=2 3253 B10R0.88 CCOCC(N=N#N)C(=O)O MCULE-5955226172 [0,2,0,0,0,0|1,0,1]=4 3254 B10R0.88 CSCCC(NC=O)C(=O)O MCULE-1321874627 [0,2,0,0,0,0|1,0,0]=3 3255 B10R0.88 CSCC[C@@H](N=[N+]=[N-])C(=O)O MCULE-4913744617 [0,2,0,0,0,0|1,0,1]=4 3256 B10R0.88 CSCC[C@@H](N=[N+]=[N-])C(=O)O MCULE-6869218736 [0,2,0,0,0,0|1,0,1]=4 3257 B10R0.88 CSCC[C@@H](NC=O)C(=O)O MCULE-1193383828 [0,2,0,0,0,0|1,0,0]=3 3258 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O MCULE-3349550763 [0,2,0,0,0,0|1,0,1]=4 3259 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O MCULE-5583634379 [0,2,0,0,0,0|1,0,1]=4 3260 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-6184653272 [0,2,0,0,0,0|1,0,0]=3 3261 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-8050291491 [0,2,0,0,0,0|1,0,0]=3 3262 B10R0.133 C=CC(C)(CCOC)C(=O)O MCULE-4169963054 [0,2,0,0,0,0|2,0,0]=4 3263 B10R0.133 CCCC[C@](N)(CC)C(=O)O MCULE-5511664944 [0,2,0,0,0,0|0,0,0]=2 3264 B10R0.133 CCCC[C@](N)(CC)C(=O)O MCULE-7828282573 [0,2,0,0,0,0|0,0,0]=2 3265 B10R0.26 C=CCS(=O)CC(N)C(=O)O MCULE-1644221115 [0,2,0,0,0,0|0,0,2]=4 3266 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-5403139844 [0,2,0,0,0,0|0,0,2]=4 3267 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-6091538783 [0,2,0,0,0,0|0,0,2]=4 3268 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-2127698614 [0,2,0,0,0,0|0,0,2]=4 3269 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-6116290976 [0,2,0,0,0,0|0,0,2]=4 3270 B10R0.26 CC=CS(=O)C[C@H](N)C(=O)O MCULE-4397511090 [0,2,0,0,0,0|0,0,2]=4 3271 B10R0.26 CCCC(=O)NC(C)C(=O)O MCULE-2171690490 [0,2,0,0,0,0|1,0,1]=4 3272 B10R0.26 CCCC(C)CC(N)C(=O)O MCULE-8848436054 [0,2,0,0,0,0|0,0,0]=2 3273 B10R0.26 CCCS(=O)CC(N)C(=O)O MCULE-8745806923 [0,2,0,0,0,0|0,0,0]=2 3274 B10R0.26 CCCS(=O)C[C@H](N)C(=O)O MCULE-6968745632 [0,2,0,0,0,0|0,0,0]=2 3275 B10R0.26 CCOC(=O)CC(N)C(=O)O MCULE-1325477968 [0,2,0,0,0,0|0,0,1]=3 3276 B10R0.47 CCN(C)CC(C)(C)C(=O)O MCULE-4261379786 [0,2,0,0,0,0|2,0,0]=4 3277 B10R0.47 CCN(C)CC(C)(C)C(=O)O MCULE-7230628954 [0,2,0,0,0,0|2,0,0]=4 3278 B10R0.67 COC(C)(C)CC(N)C(=O)O MCULE-1291000987 [0,2,0,0,0,0|1,0,0]=3 3279 B10R0.67 COC(C)(C)CC(O)C(=O)O MCULE-5362367135 [0,2,0,0,0,0|2,0,0]=4 3280 B10R0.72 CCC(CC)CC(C)C(=O)O MCULE-7999332262 [0,2,0,0,0,0|1,0,0]=3 3281 B10R0.72 CCN(CC)CC(C)C(=O)O MCULE-4165010028 [0,2,0,0,0,0|2,0,0]=4 3282 B10R0.72 CCN(CC)CC(N)C(=O)N MCULE-5054958387 [0,2,0,0,0,0|2,0,0]=4 3283 B10R0.42 C=CCCC[C@@](C)(N)C(=O)O MCULE-2310142201 [0,2,0,0,0,0|0,0,1]=3 3284 B10R0.42 C=CCCC[C@](C)(N)C(=O)O MCULE-5334270405 [0,2,0,0,0,0|0,0,1]=3 3285 B10R0.42 CCCCCC(C)(C)C(=O)O MCULE-7728669545 [0,2,0,0,0,0|1,0,0]=3 3286 B10R0.42 CCCCNC(C)(C)P(=O)O MCULE-2025027783 [0,2,0,0,0,0|2,0,0]=4 3287 B10R0.42 COCOCC(C)(C)C(=O)O MCULE-1038403250 [0,2,0,0,0,0|2,0,0]=4 3288 B10R0.42 C[C@@](N)(CCCCN)C(=O)O MCULE-5286287442 [0,2,0,0,0,0|0,0,0]=2 3289 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [0,2,0,0,0,0|0,0,0]=2 3290 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [0,2,0,0,0,0|0,0,0]=2 3291 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [0,2,0,0,0,0|0,0,0]=2 3292 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [0,2,0,0,0,0|0,0,0]=2 3293 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [0,2,0,0,0,0|0,0,0]=2 3294 B10R0.75 C=CCSSC[C@H](N)C(=O)O MCULE-8012244687 [0,2,0,0,0,0|0,0,2]=4 3295 B10R0.75 CCCCCCC(Br)C(=O)Br MCULE-8391154868 [0,2,0,0,0,0|2,0,0]=4 3296 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [0,2,0,0,0,0|1,0,0]=3 3297 B10R0.75 CCCCCCC(C)C(=O)C MCULE-2296587993 [0,2,0,0,0,0|2,0,0]=4 3298 B10R0.75 CCCCCCC(C)C(=O)Cl MCULE-4801747974 [0,2,0,0,0,0|2,0,0]=4 3299 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [0,2,0,0,0,0|1,0,0]=3 3300 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [0,2,0,0,0,0|1,0,0]=3 3301 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [0,2,0,0,0,0|0,0,0]=2 3302 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [0,2,0,0,0,0|0,0,0]=2 3303 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [0,2,0,0,0,0|1,0,0]=3 3304 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [0,2,0,0,0,0|0,0,0]=2 3305 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [0,2,0,0,0,0|0,0,0]=2 3306 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [0,2,0,0,0,0|0,0,0]=2 3307 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [0,2,0,0,0,0|0,0,0]=2 3308 B10R0.75 CCCCSC[C@@H](N)C(=O)O MCULE-8737283640 [0,2,0,0,0,0|0,0,0]=2 3309 B10R0.75 CCCCSC[C@H](N)C(=O)O MCULE-5383064231 [0,2,0,0,0,0|0,0,0]=2 3310 B10R0.75 CCOCCOC(C)C(=O)O MCULE-1855650459 [0,2,0,0,0,0|1,0,0]=3 3311 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [0,2,0,0,0,0|0,0,0]=2 3312 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [0,2,0,0,0,0|0,0,0]=2 3313 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [0,2,0,0,0,0|0,0,0]=2 3314 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [0,2,0,0,0,0|0,0,0]=2 3315 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [0,2,0,0,0,0|0,0,0]=2 3316 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [0,2,0,0,0,0|0,0,0]=2 3317 B10R0.75 COCCSCC(N)C(=O)O MCULE-1808987613 [0,2,0,0,0,0|0,0,0]=2 3318 B10R0.75 N#CCCSCC(N)C(=O)O MCULE-3478080944 [0,2,0,0,0,0|0,0,1]=3 3319 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [0,2,0,0,0,0|0,0,1]=3 3320 B10R0.75 NC(CSCCCO)C(=O)O MCULE-6250464318 [0,2,0,0,0,0|0,0,0]=2 3321 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [0,2,0,0,0,0|0,0,0]=2 3322 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [0,2,0,0,0,0|0,0,0]=2 3323 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [0,2,0,0,0,0|0,0,0]=2 3324 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [0,2,0,0,0,0|0,0,0]=2 3325 B10R0.75 NCCCSC[C@H](N)C(=O)O MCULE-9670718396 [0,2,0,0,0,0|0,0,0]=2 3326 B10R0.75 NCCC[Se]C[C@H](N)C(=O)O MCULE-4318104451 [0,2,0,0,0,0|0,0,0]=2 3327 B10R0.75 NCCO/C=C/[C@H](N)C(=O)O MCULE-3843418907 [0,2,0,0,0,0|0,0,2]=4 3328 B10R0.75 NCCO/C=C/[C@H](N)C(=O)O MCULE-9640707026 [0,2,0,0,0,0|0,0,2]=4 3329 B10R0.75 NCCOC=CC(N)C(=O)O MCULE-1542354581 [0,2,0,0,0,0|0,0,2]=4 3330 B10R0.75 NCCOC=C[C@H](N)C(=O)O MCULE-5022414897 [0,2,0,0,0,0|0,0,2]=4 3331 B10R0.75 NCCOC=C[C@H](N)C(=O)O MCULE-6783991597 [0,2,0,0,0,0|0,0,2]=4 3332 B10R0.75 N[C@@H](CCSCCO)C(=O)O MCULE-2974080305 [0,2,0,0,0,0|0,0,0]=2 3333 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-1323141415 [0,2,0,0,0,0|0,0,0]=2 3334 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-8256841743 [0,2,0,0,0,0|0,0,0]=2 3335 B10R0.75 N[C@@H](CSSCCO)C(=O)O MCULE-7717227685 [0,2,0,0,0,0|1,0,0]=3 3336 B10R0.75 O=C(O)C(=O)CCCCCCl MCULE-5263490690 [0,2,0,0,0,0|1,0,1]=4 3337 B10R0.75 [N-]=[N+]=NCCC[C@@H](N)C(=O)O MCULE-2902827107 [0,2,0,0,0,0|1,0,0]=3 3338 B10R0.75 [N-]=[N+]=NCCC[C@@H]([NH3+])C(=O)O MCULE-7342778742 [0,2,0,0,0,0|1,0,1]=4 3339 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6058924639 [0,2,0,0,0,0|1,0,0]=3 3340 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6632469133 [0,2,0,0,0,0|1,0,0]=3 3341 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-7192387796 [0,2,0,0,0,0|1,0,0]=3 3342 B10R0.75 [N-]=[N+]=NCCC[C@H]([NH3+])C(=O)O MCULE-6281928342 [0,2,0,0,0,0|1,0,1]=4 3343 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,2,0,0,0,0|1,0,0]=3 3344 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,2,0,0,0,0|0,0,1]=3 3345 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,2,0,0,0,0|0,0,1]=3 3346 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,2,0,0,0,0|0,0,1]=3 3347 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,2,0,0,0,0|0,0,1]=3 3348 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,2,0,0,0,0|0,0,1]=3 3349 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,2,0,0,0,0|0,0,1]=3 3350 B10R0.98 CC(C)CCCC(C)C(=O)O MCULE-3667108752 [0,2,0,0,0,0|1,0,0]=3 3351 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [0,2,0,0,0,0|0,0,0]=2 3352 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [0,2,0,0,0,0|0,0,0]=2 3353 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [0,2,0,0,0,0|0,0,0]=2 3354 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [0,2,0,0,0,0|0,0,0]=2 3355 B10R0.98 CC(C)CCOC(C)C(=O)O MCULE-3181346418 [0,2,0,0,0,0|1,0,0]=3 3356 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-5130020295 [0,2,0,0,0,0|1,0,0]=3 3357 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-6070288614 [0,2,0,0,0,0|1,0,0]=3 3358 B10R0.98 CN(C)CCC[C@H](N)C(=O)O MCULE-9481059271 [0,2,0,0,0,0|0,0,0]=2 3359 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,2,0,0,0,0|1,0,1]=4 3360 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,2,0,0,0,0|1,0,1]=4 3361 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,2,0,0,0,0|1,0,1]=4 3362 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,2,0,0,0,0|1,0,1]=4 3363 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,2,0,0,0,0|0,0,1]=3 3364 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,2,0,0,0,0|0,0,1]=3 3365 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,2,0,0,0,0|0,0,1]=3 3366 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,2,0,0,0,0|1,0,1]=4 3367 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,2,0,0,0,0|0,0,1]=3 3368 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,2,0,0,0,0|0,0,1]=3 3369 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,2,0,0,0,0|1,0,1]=4 3370 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,2,0,0,0,0|1,0,1]=4 3371 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,2,0,0,0,0|0,0,1]=3 3372 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,2,0,0,0,0|0,0,1]=3 3373 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,2,0,0,0,0|1,0,1]=4 3374 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,2,0,0,0,0|1,0,1]=4 3375 B8R1.1 CC1CCC(C1)C=O MCULE-9381232427 [1,0,0,1,0,0|1,0,0]=3 3376 B8R1.1 CC1CCC(C1)CO MCULE-3130047677 [1,0,0,1,0,0|1,0,1]=4 3377 B8R1.1 CC1CCC(N1)CO MCULE-7935473441 [1,0,0,1,0,0|0,0,1]=3 3378 B8R1.1 CC1CCC(N1)CO MCULE-8743496847 [1,0,0,1,0,0|0,0,1]=3 3379 B8R1.1 CC1CCC(O1)CO MCULE-1587985152 [1,0,0,1,0,0|1,0,1]=4 3380 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-5635555767 [1,0,0,1,0,0|0,0,1]=3 3381 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-7103292821 [1,0,0,1,0,0|0,0,1]=3 3382 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8577607094 [1,0,0,1,0,0|0,0,1]=3 3383 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8853557592 [1,0,0,1,0,0|0,0,1]=3 3384 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-1981408927 [1,0,0,1,0,0|1,0,1]=4 3385 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-2750103072 [1,0,0,1,0,0|1,0,1]=4 3386 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-5943356667 [1,0,0,1,0,0|0,0,1]=3 3387 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-6303404144 [1,0,0,1,0,0|0,0,1]=3 3388 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-2585928492 [1,0,0,1,0,0|1,0,1]=4 3389 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-3715649264 [1,0,0,1,0,0|1,0,1]=4 3390 B8R1.1 NC1C=CC(C1)CO MCULE-6409966211 [1,0,0,1,0,0|2,0,0]=4 3391 B8R1.1 NC1C=CC(C1)CO MCULE-9217183744 [1,0,0,1,0,0|2,0,0]=4 3392 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-6317024482 [1,0,0,1,0,0|2,0,0]=4 3393 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-7574782144 [1,0,0,1,0,0|2,0,0]=4 3394 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-7925480161 [1,0,0,1,0,0|2,0,0]=4 3395 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-8008829330 [1,0,0,1,0,0|2,0,0]=4 3396 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-3324290612 [1,0,0,1,0,0|2,0,0]=4 3397 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-3860506121 [1,0,0,1,0,0|2,0,0]=4 3398 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-4118050926 [1,0,0,1,0,0|2,0,0]=4 3399 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-4136002750 [1,0,0,1,0,0|2,0,0]=4 3400 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-4159108338 [1,0,0,1,0,0|2,0,0]=4 3401 B8R1.1 [C@H]1(C=C[C@@H](C1)N)CO MCULE-5721231711 [1,0,0,1,0,0|2,0,0]=4 3402 B8R1.2 BrCC1CCCCN1 MCULE-2625695671 [1,0,0,1,0,0|1,0,1]=4 3403 B8R1.2 BrCC1CCCCN1 MCULE-9807498006 [1,0,0,1,0,0|1,0,1]=4 3404 B8R1.2 C#CC1CCCCN1 MCULE-4194715110 [1,0,0,1,0,0|1,0,1]=4 3405 B8R1.2 C#CC1CCCCN1 MCULE-7315074830 [1,0,0,1,0,0|1,0,1]=4 3406 B8R1.2 C1(CCCCN1)CO MCULE-7414417382 [1,0,0,1,0,0|0,0,1]=3 3407 B8R1.2 C=CC1CCCCC1 MCULE-5657998956 [1,0,0,1,0,0|2,0,0]=4 3408 B8R1.2 C=CC1CCCCN1 MCULE-1327502475 [1,0,0,1,0,0|1,0,0]=3 3409 B8R1.2 C=CC1CCCCN1 MCULE-7059257921 [1,0,0,1,0,0|1,0,0]=3 3410 B8R1.2 CCC1CCCCN1 MCULE-1463828922 [1,0,0,1,0,0|1,0,1]=4 3411 B8R1.2 CCC1CCCCN1 MCULE-4345537199 [1,0,0,1,0,0|1,0,1]=4 3412 B8R1.2 CCC1CCCCN1 MCULE-4598810496 [1,0,0,1,0,0|1,0,1]=4 3413 B8R1.2 CCC1CCCCN1 MCULE-6373382965 [1,0,0,1,0,0|1,0,1]=4 3414 B8R1.2 CC[C@@H]1CCCCN1 MCULE-1012550179 [1,0,0,1,0,0|1,0,1]=4 3415 B8R1.2 CC[C@@H]1CCCCN1 MCULE-6669069574 [1,0,0,1,0,0|1,0,1]=4 3416 B8R1.2 CC[C@@H]1CCCCN1 MCULE-7355467130 [1,0,0,1,0,0|1,0,1]=4 3417 B8R1.2 CC[C@@H]1CCCCN1 MCULE-7542229673 [1,0,0,1,0,0|1,0,1]=4 3418 B8R1.2 CC[C@H]1CCCCN1 MCULE-2554275022 [1,0,0,1,0,0|1,0,1]=4 3419 B8R1.2 CC[C@H]1CCCCN1 MCULE-3433938348 [1,0,0,1,0,0|1,0,1]=4 3420 B8R1.2 CC[C@H]1CCCCN1 MCULE-5134937129 [1,0,0,1,0,0|1,0,1]=4 3421 B8R1.2 CC[C@H]1CCCCN1 MCULE-9567977241 [1,0,0,1,0,0|1,0,1]=4 3422 B8R1.2 ClCC1CCCCN1 MCULE-3215583581 [1,0,0,1,0,0|1,0,1]=4 3423 B8R1.2 ClCC1CCCCN1 MCULE-8949714419 [1,0,0,1,0,0|1,0,1]=4 3424 B8R1.2 FCC1CCCCN1 MCULE-4091234595 [1,0,0,1,0,0|1,0,1]=4 3425 B8R1.2 FCC1CCCCN1 MCULE-7748360337 [1,0,0,1,0,0|1,0,1]=4 3426 B8R1.2 FC[C@@H]1CCCCN1 MCULE-2249718416 [1,0,0,1,0,0|1,0,1]=4 3427 B8R1.2 FC[C@@H]1CCCCN1 MCULE-2335185919 [1,0,0,1,0,0|1,0,1]=4 3428 B8R1.2 FC[C@@H]1CCCCN1 MCULE-7515953101 [1,0,0,1,0,0|1,0,1]=4 3429 B8R1.2 FC[C@@H]1CCCCN1 MCULE-8096430166 [1,0,0,1,0,0|1,0,1]=4 3430 B8R1.2 ICC1CCCCN1 MCULE-5434926156 [1,0,0,1,0,0|1,0,1]=4 3431 B8R1.2 ICC1CCCCN1 MCULE-5785133159 [1,0,0,1,0,0|1,0,1]=4 3432 B8R1.2 N#CC1CCCCN1 MCULE-1697826413 [1,0,0,1,0,0|1,0,1]=4 3433 B8R1.2 N#CC1CCCCN1 MCULE-3334055664 [1,0,0,1,0,0|1,0,1]=4 3434 B8R1.2 N#CC1CCCCN1 MCULE-4086101013 [1,0,0,1,0,0|1,0,1]=4 3435 B8R1.2 N#CC1CCCCN1 MCULE-6025106560 [1,0,0,1,0,0|1,0,1]=4 3436 B8R1.2 N#C[C@@H]1CCCCN1 MCULE-4428095484 [1,0,0,1,0,0|1,0,1]=4 3437 B8R1.2 N#C[C@@H]1CCCCN1 MCULE-4927353010 [1,0,0,1,0,0|1,0,1]=4 3438 B8R1.2 N#C[C@@H]1CCCCN1 MCULE-5087232665 [1,0,0,1,0,0|1,0,1]=4 3439 B8R1.2 N#C[C@@H]1CCCCN1 MCULE-5509246319 [1,0,0,1,0,0|1,0,1]=4 3440 B8R1.2 N#C[C@@H]1CCCCN1 MCULE-6114021285 [1,0,0,1,0,0|1,0,1]=4 3441 B8R1.2 N#C[C@@H]1CCCCN1 MCULE-7595225760 [1,0,0,1,0,0|1,0,1]=4 3442 B8R1.2 N#C[C@H]1CCCCN1 MCULE-3583532381 [1,0,0,1,0,0|1,0,1]=4 3443 B8R1.2 N#C[C@H]1CCCCN1 MCULE-4527493190 [1,0,0,1,0,0|1,0,1]=4 3444 B8R1.2 N#C[C@H]1CCCCN1 MCULE-7988967151 [1,0,0,1,0,0|1,0,1]=4 3445 B8R1.2 N#C[C@H]1CCCCN1 MCULE-9951441572 [1,0,0,1,0,0|1,0,1]=4 3446 B8R1.2 NCC1CCCCN1 MCULE-5628582900 [1,0,0,1,0,0|1,0,1]=4 3447 B8R1.2 NCC1CCCCN1 MCULE-7762336274 [1,0,0,1,0,0|1,0,1]=4 3448 B8R1.2 NC[C@@H]1CCCCN1 MCULE-2094976900 [1,0,0,1,0,0|1,0,1]=4 3449 B8R1.2 NC[C@@H]1CCCCN1 MCULE-3736890217 [1,0,0,1,0,0|1,0,1]=4 3450 B8R1.2 NC[C@H]1CCCCN1 MCULE-2124027272 [1,0,0,1,0,0|1,0,1]=4 3451 B8R1.2 NC[C@H]1CCCCN1 MCULE-5815797207 [1,0,0,1,0,0|1,0,1]=4 3452 B8R1.2 O=CC1=CCCCC1 MCULE-6209420256 [1,0,0,1,0,0|1,0,1]=4 3453 B8R1.2 O=CC1C=CCCC1 MCULE-7360804121 [1,0,0,1,0,0|1,0,1]=4 3454 B8R1.2 O=CC1CCCCC1 MCULE-7345097178 [1,0,0,1,0,0|1,0,0]=3 3455 B8R1.2 O=CC1CCCCN1 MCULE-7681438476 [1,0,0,1,0,0|0,0,0]=2 3456 B8R1.2 O=CC1CCCCN1 MCULE-9370686295 [1,0,0,1,0,0|0,0,0]=2 3457 B8R1.2 O=CC1CCCCO1 MCULE-6497412510 [1,0,0,1,0,0|1,0,0]=3 3458 B8R1.2 O=CC1CCCNC1 MCULE-4037480911 [1,0,0,1,0,0|2,0,0]=4 3459 B8R1.2 O=CC1CCCNC1 MCULE-9205787069 [1,0,0,1,0,0|2,0,0]=4 3460 B8R1.2 O=CC1CCCOC1 MCULE-6841728518 [1,0,0,1,0,0|2,0,0]=4 3461 B8R1.2 O=CC1CCCSC1 MCULE-8369808876 [1,0,0,1,0,0|2,0,0]=4 3462 B8R1.2 O=CC1CCNCC1 MCULE-3856245073 [1,0,0,1,0,0|2,0,0]=4 3463 B8R1.2 O=CC1CCNCC1 MCULE-8439609130 [1,0,0,1,0,0|2,0,0]=4 3464 B8R1.2 O=CC1CCOCC1 MCULE-6884786677 [1,0,0,1,0,0|2,0,0]=4 3465 B8R1.2 O=CC1CCSCC1 MCULE-4728594373 [1,0,0,1,0,0|2,0,0]=4 3466 B8R1.2 O=CC1COCCO1 MCULE-3817488986 [1,0,0,1,0,0|2,0,0]=4 3467 B8R1.2 O=CN1CCCCC1 MCULE-3028605826 [1,0,0,1,0,0|2,0,0]=4 3468 B8R1.2 OCC1CCCCC1 MCULE-6571547092 [1,0,0,1,0,0|1,0,1]=4 3469 B8R1.2 OCC1CCCCN1 MCULE-1839660028 [1,0,0,1,0,0|0,0,1]=3 3470 B8R1.2 OCC1CCCCN1 MCULE-5190999833 [1,0,0,1,0,0|0,0,1]=3 3471 B8R1.2 OCC1CCCCO1 MCULE-2390789074 [1,0,0,1,0,0|1,0,1]=4 3472 B8R1.2 OCC1CCCCO1 MCULE-7483291767 [1,0,0,1,0,0|1,0,1]=4 3473 B8R1.2 OCC1CCCCS1 MCULE-8533707311 [1,0,0,1,0,0|1,0,1]=4 3474 B8R1.2 OCC1CNCCN1 MCULE-1401587868 [1,0,0,1,0,0|1,0,1]=4 3475 B8R1.2 OCC1CNCCN1 MCULE-7423856879 [1,0,0,1,0,0|1,0,1]=4 3476 B8R1.2 OCC1CNCCN1 MCULE-8309538868 [1,0,0,1,0,0|1,0,1]=4 3477 B8R1.2 OCC1CNCCN1 MCULE-9359285661 [1,0,0,1,0,0|1,0,1]=4 3478 B8R1.2 OCC1COCCN1 MCULE-1141875416 [1,0,0,1,0,0|1,0,1]=4 3479 B8R1.2 OCC1COCCN1 MCULE-2383049328 [1,0,0,1,0,0|1,0,1]=4 3480 B8R1.2 OCC1COCCN1 MCULE-3747324792 [1,0,0,1,0,0|1,0,1]=4 3481 B8R1.2 OCC1COCCN1 MCULE-8656197859 [1,0,0,1,0,0|1,0,1]=4 3482 B8R1.2 OCC1CSCCN1 MCULE-9615907863 [1,0,0,1,0,0|1,0,1]=4 3483 B8R1.2 OC[C@@H]1CCCCN1 MCULE-6170192975 [1,0,0,1,0,0|0,0,1]=3 3484 B8R1.2 OC[C@@H]1CCCCN1 MCULE-7805438267 [1,0,0,1,0,0|0,0,1]=3 3485 B8R1.2 OC[C@@H]1CCCCN1 MCULE-8160671578 [1,0,0,1,0,0|0,0,1]=3 3486 B8R1.2 OC[C@@H]1CCCCO1 MCULE-5978396739 [1,0,0,1,0,0|1,0,1]=4 3487 B8R1.2 OC[C@@H]1CCCCO1 MCULE-8715909099 [1,0,0,1,0,0|1,0,1]=4 3488 B8R1.2 OC[C@@H]1CNCCN1 MCULE-3656110325 [1,0,0,1,0,0|1,0,1]=4 3489 B8R1.2 OC[C@@H]1CNCCN1 MCULE-7030471384 [1,0,0,1,0,0|1,0,1]=4 3490 B8R1.2 OC[C@@H]1CNCCN1 MCULE-7465480170 [1,0,0,1,0,0|1,0,1]=4 3491 B8R1.2 OC[C@@H]1CNCCN1 MCULE-9542102138 [1,0,0,1,0,0|1,0,1]=4 3492 B8R1.2 OC[C@@H]1COCCN1 MCULE-2260461335 [1,0,0,1,0,0|1,0,1]=4 3493 B8R1.2 OC[C@@H]1COCCN1 MCULE-7365178843 [1,0,0,1,0,0|1,0,1]=4 3494 B8R1.2 OC[C@@H]1COCCN1 MCULE-8155625467 [1,0,0,1,0,0|1,0,1]=4 3495 B8R1.2 OC[C@@H]1COCCN1 MCULE-9822056975 [1,0,0,1,0,0|1,0,1]=4 3496 B8R1.2 OC[C@H]1CCCCN1 MCULE-1585224164 [1,0,0,1,0,0|0,0,1]=3 3497 B8R1.2 OC[C@H]1CCCCN1 MCULE-2860177964 [1,0,0,1,0,0|0,0,1]=3 3498 B8R1.2 OC[C@H]1CCCCO1 MCULE-4700719427 [1,0,0,1,0,0|1,0,1]=4 3499 B8R1.2 OC[C@H]1CCCCO1 MCULE-7990169259 [1,0,0,1,0,0|1,0,1]=4 3500 B8R1.2 OC[C@H]1CNCCN1 MCULE-2062612556 [1,0,0,1,0,0|1,0,1]=4 3501 B8R1.2 OC[C@H]1CNCCN1 MCULE-3003505442 [1,0,0,1,0,0|1,0,1]=4 3502 B8R1.2 OC[C@H]1CNCCN1 MCULE-3400481255 [1,0,0,1,0,0|1,0,1]=4 3503 B8R1.2 OC[C@H]1CNCCN1 MCULE-5683382374 [1,0,0,1,0,0|1,0,1]=4 3504 B8R1.2 OC[C@H]1CNCCN1 MCULE-8795905011 [1,0,0,1,0,0|1,0,1]=4 3505 B8R1.2 OC[C@H]1COCCN1 MCULE-2570187475 [1,0,0,1,0,0|1,0,1]=4 3506 B8R1.2 OC[C@H]1COCCN1 MCULE-5479794518 [1,0,0,1,0,0|1,0,1]=4 3507 B8R1.2 OC[C@H]1COCCN1 MCULE-5550353523 [1,0,0,1,0,0|1,0,1]=4 3508 B8R1.2 OC[C@H]1COCCN1 MCULE-6091772249 [1,0,0,1,0,0|1,0,1]=4 3509 B8R1.2 ONC1CCCCC1 MCULE-7854482550 [1,0,0,1,0,0|2,0,0]=4 3510 B8R1.2 O[NH2+]C1CCCCC1 MCULE-5578731568 [1,0,0,1,0,0|2,0,0]=4 3511 B8R1.3 CC1CCC(CC1)N MCULE-1405299661 [1,0,0,1,0,0|1,0,1]=4 3512 B8R1.3 CC1CCC(CC1)N MCULE-2075843541 [1,0,0,1,0,0|1,0,1]=4 3513 B8R1.3 CC1CCC(CO1)O MCULE-8416383333 [1,0,0,1,0,0|1,0,1]=4 3514 B8R1.3 C[C@H]1CC[C@@H](CC1)N MCULE-4582129313 [1,0,0,1,0,0|1,0,1]=4 3515 B8R1.3 C[C@H]1CC[C@@H](CC1)N MCULE-8719793702 [1,0,0,1,0,0|1,0,1]=4 3516 B8R1.3 C[C@H]1CC[C@H](CC1)N MCULE-5470842973 [1,0,0,1,0,0|1,0,1]=4 3517 B8R1.3 C[C@H]1CC[C@H](CC1)N MCULE-9610267582 [1,0,0,1,0,0|1,0,1]=4 3518 B8R1.5 C=C1CCCCC1O MCULE-3853228524 [1,0,0,1,0,0|2,0,0]=4 3519 B8R1.5 C=C1CCCCC1O MCULE-5911864977 [1,0,0,1,0,0|2,0,0]=4 3520 B8R1.5 C=C1COCCC1N MCULE-4966385224 [1,0,0,1,0,0|2,0,0]=4 3521 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [1,0,0,1,0,0|1,0,0]=3 3522 B8R1.5 CC1CCCCC1N MCULE-3041016580 [1,0,0,1,0,0|1,0,1]=4 3523 B8R1.5 CC1CCCCC1N MCULE-4294403075 [1,0,0,1,0,0|1,0,1]=4 3524 B8R1.5 CC1CCCCC1O MCULE-2704647488 [1,0,0,1,0,0|1,0,1]=4 3525 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [1,0,0,1,0,0|2,0,0]=4 3526 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [1,0,0,1,0,0|2,0,0]=4 3527 B8R1.5 CC1CCNCC1=O MCULE-8618050685 [1,0,0,1,0,0|2,0,0]=4 3528 B8R1.5 CC1CCNCC1=O MCULE-9238977073 [1,0,0,1,0,0|2,0,0]=4 3529 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [1,0,0,1,0,0|2,0,0]=4 3530 B8R1.5 CC1CNCCC1=O MCULE-6306655160 [1,0,0,1,0,0|2,0,0]=4 3531 B8R1.5 CC1CNCCC1=O MCULE-9018912988 [1,0,0,1,0,0|2,0,0]=4 3532 B8R1.5 CC1COCCC1=O MCULE-2694187526 [1,0,0,1,0,0|2,0,0]=4 3533 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [1,0,0,1,0,0|2,0,0]=4 3534 B8R1.5 CC1NCCCC1=O MCULE-1303642695 [1,0,0,1,0,0|2,0,0]=4 3535 B8R1.5 CC1NCCCC1=O MCULE-6618358169 [1,0,0,1,0,0|2,0,0]=4 3536 B8R1.5 CC1SCCCC1=O MCULE-7641066964 [1,0,0,1,0,0|2,0,0]=4 3537 B8R1.5 CN1CCCCC1=O MCULE-9619129797 [1,0,0,1,0,0|2,0,0]=4 3538 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-2207912311 [1,0,0,1,0,0|1,0,1]=4 3539 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-3227199256 [1,0,0,1,0,0|1,0,1]=4 3540 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-4948677049 [1,0,0,1,0,0|1,0,1]=4 3541 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-6377741621 [1,0,0,1,0,0|1,0,1]=4 3542 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-8426223529 [1,0,0,1,0,0|1,0,1]=4 3543 B8R1.5 C[C@@H]1CCCC[C@@H]1N MCULE-9542068395 [1,0,0,1,0,0|1,0,1]=4 3544 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-3547716632 [1,0,0,1,0,0|1,0,1]=4 3545 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-9259793572 [1,0,0,1,0,0|1,0,1]=4 3546 B8R1.5 C[C@@H]1CCCC[C@H]1N MCULE-2021817746 [1,0,0,1,0,0|1,0,1]=4 3547 B8R1.5 C[C@@H]1CCCC[C@H]1N MCULE-3944837592 [1,0,0,1,0,0|1,0,1]=4 3548 B8R1.5 C[C@H]1CCCC[C@@H]1N MCULE-3841584035 [1,0,0,1,0,0|1,0,1]=4 3549 B8R1.5 C[C@H]1CCCC[C@@H]1N MCULE-4158219749 [1,0,0,1,0,0|1,0,1]=4 3550 B8R1.5 C[C@H]1CCCC[C@@H]1N MCULE-8973971252 [1,0,0,1,0,0|1,0,1]=4 3551 B8R1.5 C[C@H]1CCCC[C@@H]1N MCULE-9885453921 [1,0,0,1,0,0|1,0,1]=4 3552 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-4879328575 [1,0,0,1,0,0|1,0,1]=4 3553 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-7331434797 [1,0,0,1,0,0|1,0,1]=4 3554 B8R1.5 C[C@H]1CCCC[C@H]1N MCULE-1533998857 [1,0,0,1,0,0|1,0,1]=4 3555 B8R1.5 C[C@H]1CCCC[C@H]1N MCULE-5254242664 [1,0,0,1,0,0|1,0,1]=4 3556 B8R1.5 C[C@H]1CCCC[C@H]1N MCULE-5432486645 [1,0,0,1,0,0|1,0,1]=4 3557 B8R1.5 C[C@H]1CCCC[C@H]1N MCULE-7149509445 [1,0,0,1,0,0|1,0,1]=4 3558 B8R1.5 C[C@H]1CNCCC1=O MCULE-8062269317 [1,0,0,1,0,0|2,0,0]=4 3559 B8R1.5 C[C@H]1CNCCC1=O MCULE-9510433313 [1,0,0,1,0,0|2,0,0]=4 3560 B8R1.5 C[C@H]1COCCC1=O MCULE-3103478095 [1,0,0,1,0,0|2,0,0]=4 3561 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [1,0,0,1,0,0|0,0,0]=2 3562 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [1,0,0,1,0,0|0,0,0]=2 3563 B8R1.5 NC1CCCCC1Cl MCULE-3676302646 [1,0,0,1,0,0|1,0,1]=4 3564 B8R1.5 NC1CCCCC1Cl MCULE-7920658638 [1,0,0,1,0,0|1,0,1]=4 3565 B8R1.5 NC1CCCCC1F MCULE-6643891539 [1,0,0,1,0,0|1,0,1]=4 3566 B8R1.5 NC1CCCCC1F MCULE-7855236144 [1,0,0,1,0,0|1,0,1]=4 3567 B8R1.5 NC1CCCCC1N MCULE-1677916175 [1,0,0,1,0,0|1,0,1]=4 3568 B8R1.5 NC1CCCCC1N MCULE-9568644004 [1,0,0,1,0,0|1,0,1]=4 3569 B8R1.5 NC1CCCCC1O MCULE-1427424523 [1,0,0,1,0,0|0,0,1]=3 3570 B8R1.5 NC1CCCCC1O MCULE-2793336591 [1,0,0,1,0,0|0,0,1]=3 3571 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [1,0,0,1,0,0|1,0,0]=3 3572 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [1,0,0,1,0,0|1,0,0]=3 3573 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [1,0,0,1,0,0|1,0,0]=3 3574 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [1,0,0,1,0,0|1,0,0]=3 3575 B8R1.5 NC1CCNCC1O MCULE-2705091841 [1,0,0,1,0,0|1,0,1]=4 3576 B8R1.5 NC1CCOCC1O MCULE-2815184899 [1,0,0,1,0,0|1,0,1]=4 3577 B8R1.5 NC1CCOCC1O MCULE-4548392204 [1,0,0,1,0,0|1,0,1]=4 3578 B8R1.5 NC1COCCC1=O MCULE-2621905094 [1,0,0,1,0,0|1,0,0]=3 3579 B8R1.5 NC1COCCC1=O MCULE-5417580672 [1,0,0,1,0,0|1,0,0]=3 3580 B8R1.5 NC1COCCC1O MCULE-6374385354 [1,0,0,1,0,0|1,0,1]=4 3581 B8R1.5 NC1COCCC1O MCULE-7944406292 [1,0,0,1,0,0|1,0,1]=4 3582 B8R1.5 NN1CCCCC1=O MCULE-3663308028 [1,0,0,1,0,0|1,0,0]=3 3583 B8R1.5 NN1CCCCC1=O MCULE-9929233745 [1,0,0,1,0,0|1,0,0]=3 3584 B8R1.5 NN1CCCNC1=O MCULE-1690172508 [1,0,0,1,0,0|2,0,0]=4 3585 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [1,0,0,1,0,0|2,0,0]=4 3586 B8R1.5 N[C@@H]1CCCC[C@@H]1F MCULE-1657692826 [1,0,0,1,0,0|1,0,1]=4 3587 B8R1.5 N[C@@H]1CCCC[C@@H]1F MCULE-3328673946 [1,0,0,1,0,0|1,0,1]=4 3588 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2753918610 [1,0,0,1,0,0|0,0,1]=3 3589 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2761271370 [1,0,0,1,0,0|0,0,1]=3 3590 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-4978213189 [1,0,0,1,0,0|0,0,1]=3 3591 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-9182719952 [1,0,0,1,0,0|0,0,1]=3 3592 B8R1.5 N[C@@H]1CCCC[C@H]1F MCULE-3474870548 [1,0,0,1,0,0|1,0,1]=4 3593 B8R1.5 N[C@@H]1CCCC[C@H]1F MCULE-3984172565 [1,0,0,1,0,0|1,0,1]=4 3594 B8R1.5 N[C@@H]1CCCC[C@H]1F MCULE-4705427644 [1,0,0,1,0,0|1,0,1]=4 3595 B8R1.5 N[C@@H]1CCCC[C@H]1F MCULE-7025237099 [1,0,0,1,0,0|1,0,1]=4 3596 B8R1.5 N[C@@H]1CCCC[C@H]1N MCULE-1186999216 [1,0,0,1,0,0|1,0,1]=4 3597 B8R1.5 N[C@@H]1CCCC[C@H]1N MCULE-2134025562 [1,0,0,1,0,0|1,0,1]=4 3598 B8R1.5 N[C@@H]1CCCC[C@H]1N MCULE-6149251599 [1,0,0,1,0,0|1,0,1]=4 3599 B8R1.5 N[C@@H]1CCCC[C@H]1N MCULE-6588424966 [1,0,0,1,0,0|1,0,1]=4 3600 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-1509174959 [1,0,0,1,0,0|0,0,1]=3 3601 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-2336529349 [1,0,0,1,0,0|0,0,1]=3 3602 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-4732604931 [1,0,0,1,0,0|0,0,1]=3 3603 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-6124510830 [1,0,0,1,0,0|0,0,1]=3 3604 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-7301593250 [1,0,0,1,0,0|0,0,1]=3 3605 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-8501577810 [1,0,0,1,0,0|0,0,1]=3 3606 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [1,0,0,1,0,0|1,0,0]=3 3607 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [1,0,0,1,0,0|1,0,0]=3 3608 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [1,0,0,1,0,0|1,0,0]=3 3609 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [1,0,0,1,0,0|1,0,0]=3 3610 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-1435526553 [1,0,0,1,0,0|1,0,1]=4 3611 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-8731873892 [1,0,0,1,0,0|1,0,1]=4 3612 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-1888816293 [1,0,0,1,0,0|1,0,1]=4 3613 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3667258867 [1,0,0,1,0,0|1,0,1]=4 3614 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3915823883 [1,0,0,1,0,0|1,0,1]=4 3615 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-9959521476 [1,0,0,1,0,0|1,0,1]=4 3616 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-1071839837 [1,0,0,1,0,0|1,0,1]=4 3617 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-6051401821 [1,0,0,1,0,0|1,0,1]=4 3618 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-7013720281 [1,0,0,1,0,0|1,0,1]=4 3619 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-8477518337 [1,0,0,1,0,0|1,0,1]=4 3620 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-1031623201 [1,0,0,1,0,0|1,0,1]=4 3621 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-2846030882 [1,0,0,1,0,0|1,0,1]=4 3622 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-8863364874 [1,0,0,1,0,0|1,0,1]=4 3623 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-9836639365 [1,0,0,1,0,0|1,0,1]=4 3624 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-4436769496 [1,0,0,1,0,0|1,0,1]=4 3625 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-6163244980 [1,0,0,1,0,0|1,0,1]=4 3626 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-8697534407 [1,0,0,1,0,0|1,0,1]=4 3627 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-9625047427 [1,0,0,1,0,0|1,0,1]=4 3628 B8R1.5 N[C@H]1CCCC[C@@H]1F MCULE-2983212378 [1,0,0,1,0,0|1,0,1]=4 3629 B8R1.5 N[C@H]1CCCC[C@@H]1F MCULE-6196710696 [1,0,0,1,0,0|1,0,1]=4 3630 B8R1.5 N[C@H]1CCCC[C@@H]1N MCULE-3653211978 [1,0,0,1,0,0|1,0,1]=4 3631 B8R1.5 N[C@H]1CCCC[C@@H]1N MCULE-5059719804 [1,0,0,1,0,0|1,0,1]=4 3632 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1277967673 [1,0,0,1,0,0|0,0,1]=3 3633 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1301750612 [1,0,0,1,0,0|0,0,1]=3 3634 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-3861922722 [1,0,0,1,0,0|0,0,1]=3 3635 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-8489439004 [1,0,0,1,0,0|0,0,1]=3 3636 B8R1.5 N[C@H]1CCCC[C@H]1F MCULE-7579368841 [1,0,0,1,0,0|1,0,1]=4 3637 B8R1.5 N[C@H]1CCCC[C@H]1F MCULE-8479221038 [1,0,0,1,0,0|1,0,1]=4 3638 B8R1.5 N[C@H]1CCCC[C@H]1N MCULE-2011367325 [1,0,0,1,0,0|1,0,1]=4 3639 B8R1.5 N[C@H]1CCCC[C@H]1N MCULE-7126233212 [1,0,0,1,0,0|1,0,1]=4 3640 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-1599409645 [1,0,0,1,0,0|0,0,1]=3 3641 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-3318800690 [1,0,0,1,0,0|0,0,1]=3 3642 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-4235445104 [1,0,0,1,0,0|0,0,1]=3 3643 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6518289705 [1,0,0,1,0,0|0,0,1]=3 3644 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6606691116 [1,0,0,1,0,0|0,0,1]=3 3645 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-9979333085 [1,0,0,1,0,0|0,0,1]=3 3646 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [1,0,0,1,0,0|1,0,0]=3 3647 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [1,0,0,1,0,0|1,0,0]=3 3648 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [1,0,0,1,0,0|1,0,0]=3 3649 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [1,0,0,1,0,0|1,0,0]=3 3650 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-1217623714 [1,0,0,1,0,0|1,0,1]=4 3651 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4607259008 [1,0,0,1,0,0|1,0,1]=4 3652 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4749541215 [1,0,0,1,0,0|1,0,1]=4 3653 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-9683658087 [1,0,0,1,0,0|1,0,1]=4 3654 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1807586879 [1,0,0,1,0,0|1,0,1]=4 3655 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1937023434 [1,0,0,1,0,0|1,0,1]=4 3656 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4374635229 [1,0,0,1,0,0|1,0,1]=4 3657 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4873019238 [1,0,0,1,0,0|1,0,1]=4 3658 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-1937054893 [1,0,0,1,0,0|1,0,1]=4 3659 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-4877924283 [1,0,0,1,0,0|1,0,1]=4 3660 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-6674323819 [1,0,0,1,0,0|1,0,1]=4 3661 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-7305089306 [1,0,0,1,0,0|1,0,1]=4 3662 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-8372108333 [1,0,0,1,0,0|1,0,1]=4 3663 B8R1.5 O=C1CCCCC1=O MCULE-5770827130 [1,0,0,1,0,0|1,0,1]=4 3664 B8R1.5 O=C1CCCCC1Br MCULE-9356057483 [1,0,0,1,0,0|1,0,0]=3 3665 B8R1.5 O=C1CCCCC1Cl MCULE-1580566298 [1,0,0,1,0,0|1,0,0]=3 3666 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [1,0,0,1,0,0|1,0,0]=3 3667 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [1,0,0,1,0,0|1,0,0]=3 3668 B8R1.5 O=C1CCNCC1Br MCULE-1607524353 [1,0,0,1,0,0|2,0,0]=4 3669 B8R1.5 O=C1CCNCC1Br MCULE-2623420651 [1,0,0,1,0,0|2,0,0]=4 3670 B8R1.5 O=C1CCNCC1Br MCULE-9921456309 [1,0,0,1,0,0|2,0,0]=4 3671 B8R1.5 O=C1CCNCC1F MCULE-4156323292 [1,0,0,1,0,0|2,0,0]=4 3672 B8R1.5 O=C1CCNCC1F MCULE-5488977269 [1,0,0,1,0,0|2,0,0]=4 3673 B8R1.5 O=C1CCNC[C@@H]1F MCULE-1703177711 [1,0,0,1,0,0|2,0,0]=4 3674 B8R1.5 O=C1CCNC[C@@H]1F MCULE-2722101377 [1,0,0,1,0,0|2,0,0]=4 3675 B8R1.5 O=C1CCNC[C@@H]1F MCULE-3843083136 [1,0,0,1,0,0|2,0,0]=4 3676 B8R1.5 O=C1CCNC[C@@H]1F MCULE-8423259867 [1,0,0,1,0,0|2,0,0]=4 3677 B8R1.5 O=C1CCNC[C@H]1F MCULE-4893691455 [1,0,0,1,0,0|2,0,0]=4 3678 B8R1.5 O=C1CCNC[C@H]1F MCULE-7014608979 [1,0,0,1,0,0|2,0,0]=4 3679 B8R1.5 O=C1CCOCC1Br MCULE-1103002154 [1,0,0,1,0,0|2,0,0]=4 3680 B8R1.5 O=C1CCOCC1Cl MCULE-6926183930 [1,0,0,1,0,0|2,0,0]=4 3681 B8R1.5 O=C1CCOCC1F MCULE-8590362767 [1,0,0,1,0,0|2,0,0]=4 3682 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [1,0,0,1,0,0|2,0,0]=4 3683 B8R1.5 O=C1CCOC[C@@H]1Br MCULE-8729201111 [1,0,0,1,0,0|2,0,0]=4 3684 B8R1.5 O=C1CCOC[C@@H]1F MCULE-3075219245 [1,0,0,1,0,0|2,0,0]=4 3685 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [1,0,0,1,0,0|2,0,0]=4 3686 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [1,0,0,1,0,0|2,0,0]=4 3687 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [1,0,0,1,0,0|2,0,0]=4 3688 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [1,0,0,1,0,0|2,0,0]=4 3689 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [1,0,0,1,0,0|2,0,0]=4 3690 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [1,0,0,1,0,0|2,0,0]=4 3691 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [1,0,0,1,0,0|2,0,0]=4 3692 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [1,0,0,1,0,0|2,0,0]=4 3693 B8R1.5 OC1CCCCC1Cl MCULE-8650942069 [1,0,0,1,0,0|1,0,1]=4 3694 B8R1.5 OC1CCCCC1F MCULE-7634543650 [1,0,0,1,0,0|1,0,1]=4 3695 B8R1.5 OC1CCCCC1O MCULE-2967360901 [1,0,0,1,0,0|1,0,1]=4 3696 B8R1.5 O[C@@H]1CCCC[C@H]1F MCULE-2305949625 [1,0,0,1,0,0|1,0,1]=4 3697 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3067807104 [1,0,0,1,0,0|1,0,1]=4 3698 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3429096841 [1,0,0,1,0,0|1,0,1]=4 3699 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-9892753066 [1,0,0,1,0,0|1,0,1]=4 3700 B8R1.5 O[C@@H]1CCCC[C@H]1S MCULE-6222162383 [1,0,0,1,0,0|1,0,1]=4 3701 B8R1.5 O[C@H]1CCCC[C@@H]1F MCULE-7833708338 [1,0,0,1,0,0|1,0,1]=4 3702 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-7078207162 [1,0,0,1,0,0|1,0,1]=4 3703 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-9836847707 [1,0,0,1,0,0|1,0,1]=4 3704 B8R1.5 O[C@H]1CCCC[C@H]1Br MCULE-8133807743 [1,0,0,1,0,0|1,0,1]=4 3705 B8R1.5 O[C@H]1CCCC[C@H]1O MCULE-3539097516 [1,0,0,1,0,0|1,0,1]=4 3706 B8R1.5 [C@@H]1(CCOC[C@@H]1O)N MCULE-2201413833 [1,0,0,1,0,0|1,0,1]=4 3707 B8R1.5 [C@@H]1(CCOC[C@H]1N)O MCULE-7745052941 [1,0,0,1,0,0|1,0,1]=4 3708 B8R1.5 [C@@H]1(COCC[C@@H]1O)N MCULE-2864950342 [1,0,0,1,0,0|1,0,1]=4 3709 B8R1.5 [C@H]1(CCCC[C@H]1F)O MCULE-7751753244 [1,0,0,1,0,0|1,0,1]=4 3710 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-3291339796 [1,0,0,1,0,0|1,0,1]=4 3711 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-5641035715 [1,0,0,1,0,0|1,0,1]=4 3712 B8R1.5 [C@H]1(COCC[C@H]1N)O MCULE-2088495989 [1,0,0,1,0,0|1,0,1]=4 3713 B8R1.5 [C@H]1(COCC[C@H]1O)N MCULE-5409068801 [1,0,0,1,0,0|1,0,1]=4 3714 B8R1.22 BrC1C=CCCCC1 MCULE-3305569927 [1,0,0,1,0,0|2,0,0]=4 3715 B8R1.22 NC1C=CCCCC1 MCULE-4893389838 [1,0,0,1,0,0|1,0,0]=3 3716 B8R1.22 NC1CCCCCC1 MCULE-6214185878 [1,0,0,1,0,0|1,0,1]=4 3717 B8R1.22 NC1CCCCNC1 MCULE-9702629623 [1,0,0,1,0,0|1,0,1]=4 3718 B8R1.22 NC1CCCCNC1 MCULE-9973726441 [1,0,0,1,0,0|1,0,1]=4 3719 B8R1.22 NC1CNCCOC1 MCULE-6645165643 [1,0,0,1,0,0|1,0,1]=4 3720 B8R1.22 NC1CNCCOC1 MCULE-6897171234 [1,0,0,1,0,0|1,0,1]=4 3721 B8R1.22 NC1COCCOC1 MCULE-2081266239 [1,0,0,1,0,0|1,0,1]=4 3722 B8R1.22 NC1COCCOC1 MCULE-8164730318 [1,0,0,1,0,0|1,0,1]=4 3723 B8R1.22 N[C@@H]1CCCCNC1 MCULE-4063472101 [1,0,0,1,0,0|1,0,1]=4 3724 B8R1.22 N[C@@H]1CCCCNC1 MCULE-6734296273 [1,0,0,1,0,0|1,0,1]=4 3725 B8R1.22 N[C@H]1CCCCNC1 MCULE-2962012084 [1,0,0,1,0,0|1,0,1]=4 3726 B8R1.22 N[C@H]1CCCCNC1 MCULE-4348209410 [1,0,0,1,0,0|1,0,1]=4 3727 B8R1.22 N[C@H]1CCCCNC1 MCULE-5018449571 [1,0,0,1,0,0|1,0,1]=4 3728 B8R1.22 N[C@H]1CCCCNC1 MCULE-6428493067 [1,0,0,1,0,0|1,0,1]=4 3729 B8R1.22 N[C@H]1CCCCNC1 MCULE-9621520180 [1,0,0,1,0,0|1,0,1]=4 3730 B8R1.38 C=CC(N)C1CCC1 MCULE-3645428001 [1,0,0,1,0,0|1,0,0]=3 3731 B8R1.38 CC(C=O)C1CCC1 MCULE-5860376202 [1,0,0,1,0,0|1,0,0]=3 3732 B8R1.38 CC(CO)C1CCC1 MCULE-1784327025 [1,0,0,1,0,0|1,0,1]=4 3733 B8R1.38 CCC(N)C1CCC1 MCULE-4148346502 [1,0,0,1,0,0|1,0,1]=4 3734 B8R1.38 CCC(N)C1CCC1 MCULE-8370575436 [1,0,0,1,0,0|1,0,1]=4 3735 B8R1.38 N#CC(N)C1CCC1 MCULE-8208759516 [1,0,0,1,0,0|1,0,1]=4 3736 B8R1.38 NC(CO)C1CCC1 MCULE-1060557753 [1,0,0,1,0,0|0,0,1]=3 3737 B8R1.38 NC(CO)C1CCC1 MCULE-4732995704 [1,0,0,1,0,0|0,0,1]=3 3738 B8R1.38 NCC(N)C1CCC1 MCULE-5439532200 [1,0,0,1,0,0|1,0,1]=4 3739 B8R1.38 NCC(N)C1CCC1 MCULE-8490064832 [1,0,0,1,0,0|1,0,1]=4 3740 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-1191204694 [1,0,0,1,0,0|0,0,1]=3 3741 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-4280800914 [1,0,0,1,0,0|0,0,1]=3 3742 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-4912879577 [1,0,0,1,0,0|0,0,1]=3 3743 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-8248389845 [1,0,0,1,0,0|0,0,1]=3 3744 B8R1.38 N[C@H](CO)C1CCC1 MCULE-2165772919 [1,0,0,1,0,0|0,0,1]=3 3745 B8R1.38 N[C@H](CO)C1CCC1 MCULE-5153627963 [1,0,0,1,0,0|0,0,1]=3 3746 B8R1.38 N[C@H](CO)C1CCC1 MCULE-5389043091 [1,0,0,1,0,0|0,0,1]=3 3747 B8R1.38 N[C@H](CO)C1CCC1 MCULE-7675577168 [1,0,0,1,0,0|0,0,1]=3 3748 B8R1.38 N[C@H](CO)C1COC1 MCULE-3365163158 [1,0,0,1,0,0|1,0,1]=4 3749 B8R1.38 N[C@H](CO)C1COC1 MCULE-4558714642 [1,0,0,1,0,0|1,0,1]=4 3750 B8R1.38 OCC(O)C1CCC1 MCULE-5695655912 [1,0,0,1,0,0|1,0,1]=4 3751 B8R1.40 CCC(N)CC1CC1 MCULE-5542802833 [1,0,0,1,0,0|1,0,1]=4 3752 B8R1.40 N/C(=N\O)/CC1CC1 MCULE-2177833388 [1,0,0,1,0,0|1,0,1]=4 3753 B8R1.40 NC(CO)CC1CC1 MCULE-7286476383 [1,0,0,1,0,0|0,0,1]=3 3754 B8R1.40 NC(CO)CC1CC1 MCULE-9063082551 [1,0,0,1,0,0|0,0,1]=3 3755 B8R1.40 N[C@@H](CO)CC1CC1 MCULE-2751028745 [1,0,0,1,0,0|0,0,1]=3 3756 B8R1.40 N[C@@H](CO)CC1CC1 MCULE-5358245814 [1,0,0,1,0,0|0,0,1]=3 3757 B8R1.40 N[C@H](CO)CC1CC1 MCULE-2936761410 [1,0,0,1,0,0|0,0,1]=3 3758 B8R1.40 N[C@H](CO)CC1CC1 MCULE-4806571417 [1,0,0,1,0,0|0,0,1]=3 3759 B8R1.40 N[C@H](CO)CC1CC1 MCULE-6129944826 [1,0,0,1,0,0|0,0,1]=3 3760 B8R1.41 CCCCC1(CC1)N MCULE-2085147327 [1,0,0,1,0,0|1,0,1]=4 3761 B8R1.41 CCCCC1(CC1)N MCULE-7418078660 [1,0,0,1,0,0|1,0,1]=4 3762 B8R1.41 CCCCC1(CC1)N MCULE-9328726980 [1,0,0,1,0,0|1,0,1]=4 3763 B8R1.47 COC1CC(C1)C=O MCULE-5156102264 [1,0,0,1,0,0|2,0,0]=4 3764 B8R1.47 O=CC1CC(C1)CBr MCULE-1788975486 [1,0,0,1,0,0|2,0,0]=4 3765 B8R1.47 OCC1CC(N1)CO MCULE-1455435267 [1,0,0,1,0,0|1,0,1]=4 3766 B8R1.47 OCC1CC(N1)CO MCULE-7256280066 [1,0,0,1,0,0|1,0,1]=4 3767 B8R1.47 OC[C@@H]1C[C@@H](N1)CO MCULE-9594945818 [1,0,0,1,0,0|1,0,1]=4 3768 B8R1.47 OC[C@@H]1C[C@@H](N1)CO MCULE-9708181621 [1,0,0,1,0,0|1,0,1]=4 3769 B8R1.47 OC[C@H]1C[C@@H](N1)CO MCULE-9233798202 [1,0,0,1,0,0|1,0,1]=4 3770 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [1,0,0,1,0,0|1,0,1]=4 3771 B8R1.50 CC1CCC(C1=O)C MCULE-1473375660 [1,0,0,1,0,0|1,0,0]=3 3772 B8R1.50 CC1CCC(C1O)O MCULE-3292232581 [1,0,0,1,0,0|1,0,1]=4 3773 B8R1.50 CC1CCN(C1=O)C MCULE-1499213360 [1,0,0,1,0,0|2,0,0]=4 3774 B8R1.50 CN1CCC(C1=O)Br MCULE-9857530514 [1,0,0,1,0,0|2,0,0]=4 3775 B8R1.50 CN1CCC(C1=O)Cl MCULE-5732339719 [1,0,0,1,0,0|2,0,0]=4 3776 B8R1.50 CN1CCC(C1=O)N MCULE-2896853309 [1,0,0,1,0,0|1,0,0]=3 3777 B8R1.50 CN1CCC(C1=O)N MCULE-5951659989 [1,0,0,1,0,0|1,0,0]=3 3778 B8R1.50 CN1CCC(C1=O)O MCULE-6867263123 [1,0,0,1,0,0|2,0,0]=4 3779 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-3820062607 [1,0,0,1,0,0|1,0,0]=3 3780 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-7270649984 [1,0,0,1,0,0|1,0,0]=3 3781 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-8015311112 [1,0,0,1,0,0|1,0,0]=3 3782 B8R1.50 CN1CC[C@H](C1=O)N MCULE-1278006515 [1,0,0,1,0,0|1,0,0]=3 3783 B8R1.50 CN1CC[C@H](C1=O)N MCULE-3751335664 [1,0,0,1,0,0|1,0,0]=3 3784 B8R1.50 CN1CC[C@H](C1=O)N MCULE-4883949932 [1,0,0,1,0,0|1,0,0]=3 3785 B8R1.50 CN1CC[C@H](C1=O)N MCULE-7143065464 [1,0,0,1,0,0|1,0,0]=3 3786 B8R1.50 NC1CCC(C1O)O MCULE-2902511864 [1,0,0,1,0,0|1,0,1]=4 3787 B8R1.50 NC1CCC(C1O)O MCULE-2997796956 [1,0,0,1,0,0|1,0,1]=4 3788 B8R1.50 NC1CCN(C1=O)O MCULE-3774736319 [1,0,0,1,0,0|2,0,0]=4 3789 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-1260256164 [1,0,0,1,0,0|2,0,0]=4 3790 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-9067133595 [1,0,0,1,0,0|2,0,0]=4 3791 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-4654712954 [1,0,0,1,0,0|1,0,1]=4 3792 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-4756579413 [1,0,0,1,0,0|1,0,1]=4 3793 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-5386854672 [1,0,0,1,0,0|1,0,1]=4 3794 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-8517121727 [1,0,0,1,0,0|1,0,1]=4 3795 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-1001347318 [1,0,0,1,0,0|1,0,1]=4 3796 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-3161518566 [1,0,0,1,0,0|1,0,1]=4 3797 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-8097854840 [1,0,0,1,0,0|1,0,1]=4 3798 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-9614047785 [1,0,0,1,0,0|1,0,1]=4 3799 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-3397642974 [1,0,0,1,0,0|1,0,1]=4 3800 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-5620525999 [1,0,0,1,0,0|1,0,1]=4 3801 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-8393185418 [1,0,0,1,0,0|1,0,1]=4 3802 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-9763920178 [1,0,0,1,0,0|1,0,1]=4 3803 B8R1.50 N[C@H]1CCN(C1=O)O MCULE-1056806464 [1,0,0,1,0,0|2,0,0]=4 3804 B8R1.52 C#CC1(CCCC1)N MCULE-2932081709 [1,0,0,1,0,0|1,0,1]=4 3805 B8R1.52 C#CC1(CCCC1)N MCULE-9707098843 [1,0,0,1,0,0|1,0,1]=4 3806 B8R1.52 CC1(CCCC1)C=O MCULE-2794420297 [1,0,0,1,0,0|1,0,0]=3 3807 B8R1.52 CC1(CCCC1)CO MCULE-5781311918 [1,0,0,1,0,0|1,0,1]=4 3808 B8R1.52 CC1(CCCO1)C=O MCULE-4619641299 [1,0,0,1,0,0|2,0,0]=4 3809 B8R1.52 CC1(CCCS1)C=O MCULE-9560124012 [1,0,0,1,0,0|2,0,0]=4 3810 B8R1.52 CCC1(CCCC1)N MCULE-6321282069 [1,0,0,1,0,0|1,0,1]=4 3811 B8R1.52 CCC1(CCCC1)N MCULE-9310297702 [1,0,0,1,0,0|1,0,1]=4 3812 B8R1.52 N#CC1(CCCC1)N MCULE-2771828085 [1,0,0,1,0,0|1,0,1]=4 3813 B8R1.52 N#CC1(CCCC1)N MCULE-9817793665 [1,0,0,1,0,0|1,0,1]=4 3814 B8R1.52 NC1(CCCC1)CO MCULE-6075612462 [1,0,0,1,0,0|0,0,1]=3 3815 B8R1.52 NC1(CCCC1)CO MCULE-6080383421 [1,0,0,1,0,0|0,0,1]=3 3816 B8R1.52 NC1(CCCC1)CO MCULE-9669923041 [1,0,0,1,0,0|0,0,1]=3 3817 B8R1.52 NC1(CCNC1)CO MCULE-5174166000 [1,0,0,1,0,0|1,0,1]=4 3818 B8R1.52 NC1(CCNC1)CO MCULE-7340627867 [1,0,0,1,0,0|1,0,1]=4 3819 B8R1.52 NC1(CCOC1)CO MCULE-9666933944 [1,0,0,1,0,0|1,0,1]=4 3820 B8R1.52 NC1(CCSC1)CO MCULE-2703002887 [1,0,0,1,0,0|1,0,1]=4 3821 B8R1.52 NCC1(CCCC1)N MCULE-1134056027 [1,0,0,1,0,0|1,0,1]=4 3822 B8R1.52 NCC1(CCCC1)N MCULE-5743820145 [1,0,0,1,0,0|1,0,1]=4 3823 B8R1.52 N[C@]1(CCOC1)CO MCULE-4577771704 [1,0,0,1,0,0|1,0,1]=4 3824 B8R1.52 O=CC1(CCCC1)F MCULE-6748021302 [1,0,0,1,0,0|1,0,0]=3 3825 B8R1.52 OCC1(CCCC1)F MCULE-3500711576 [1,0,0,1,0,0|1,0,1]=4 3826 B8R1.52 OCC1(CCCC1)O MCULE-2433996412 [1,0,0,1,0,0|1,0,1]=4 3827 B8R1.83 CC1CC1/C(=N/O)/N MCULE-9358928072 [1,0,0,1,0,0|1,0,1]=4 3828 B8R1.83 CCC(N)C1CC1C MCULE-5927058941 [1,0,0,1,0,0|1,0,1]=4 3829 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [1,0,0,1,0,0|2,0,0]=4 3830 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [1,0,0,1,0,0|2,0,0]=4 3831 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [1,0,0,1,0,0|2,0,0]=4 3832 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [1,0,0,1,0,0|2,0,0]=4 3833 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [1,0,0,1,0,0|0,0,2]=4 3834 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [1,0,0,1,0,0|1,0,1]=4 3835 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [1,0,0,1,0,0|0,0,2]=4 3836 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [1,0,0,1,0,0|2,0,0]=4 3837 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [1,0,0,1,0,0|2,0,0]=4 3838 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [1,0,0,1,0,0|2,0,0]=4 3839 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [1,0,0,1,0,0|2,0,0]=4 3840 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [1,0,0,1,0,0|2,0,0]=4 3841 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [1,0,0,1,0,0|0,0,2]=4 3842 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [1,0,0,1,0,0|1,0,0]=3 3843 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [1,0,0,1,0,0|1,0,0]=3 3844 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [1,0,0,1,0,0|1,0,0]=3 3845 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [1,0,0,1,0,0|0,0,0]=2 3846 B8R1.4 CC1CCCC(C1)O MCULE-5839979596 [1,0,0,1,0,0|1,0,1]=4 3847 B8R1.4 CC1CCC[C@H](C1)O MCULE-8817611474 [1,0,0,1,0,0|1,0,1]=4 3848 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [1,0,0,1,0,0|2,0,0]=4 3849 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [1,0,0,1,0,0|2,0,0]=4 3850 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [1,0,0,1,0,0|2,0,0]=4 3851 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [1,0,0,1,0,0|1,0,0]=3 3852 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [1,0,0,1,0,0|2,0,0]=4 3853 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [1,0,0,1,0,0|2,0,0]=4 3854 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [1,0,0,1,0,0|2,0,0]=4 3855 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [1,0,0,1,0,0|2,0,0]=4 3856 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [1,0,0,1,0,0|2,0,0]=4 3857 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [1,0,0,1,0,0|2,0,0]=4 3858 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [1,0,0,1,0,0|2,0,0]=4 3859 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [1,0,0,1,0,0|2,0,0]=4 3860 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [1,0,0,1,0,0|2,0,0]=4 3861 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [1,0,0,1,0,0|2,0,0]=4 3862 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [1,0,0,1,0,0|2,0,0]=4 3863 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [1,0,0,1,0,0|2,0,0]=4 3864 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [1,0,0,1,0,0|2,0,0]=4 3865 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [1,0,0,1,0,0|1,0,0]=3 3866 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [1,0,0,1,0,0|1,0,0]=3 3867 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [1,0,0,1,0,0|1,0,0]=3 3868 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [1,0,0,1,0,0|1,0,0]=3 3869 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [1,0,0,1,0,0|0,0,0]=2 3870 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [1,0,0,1,0,0|0,0,0]=2 3871 B8R1.4 C[C@@H]1CCC[C@@H](C1)O MCULE-9818117668 [1,0,0,1,0,0|1,0,1]=4 3872 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [1,0,0,1,0,0|2,0,0]=4 3873 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [1,0,0,1,0,0|2,0,0]=4 3874 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [1,0,0,1,0,0|2,0,0]=4 3875 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [1,0,0,1,0,0|2,0,0]=4 3876 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [1,0,0,1,0,0|2,0,0]=4 3877 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [1,0,0,1,0,0|2,0,0]=4 3878 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [1,0,0,1,0,0|2,0,0]=4 3879 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [1,0,0,1,0,0|2,0,0]=4 3880 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [1,0,0,1,0,0|2,0,0]=4 3881 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [1,0,0,1,0,0|2,0,0]=4 3882 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [1,0,0,1,0,0|2,0,0]=4 3883 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [1,0,0,1,0,0|2,0,0]=4 3884 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [1,0,0,1,0,0|2,0,0]=4 3885 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [1,0,0,1,0,0|1,0,0]=3 3886 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [1,0,0,1,0,0|1,0,0]=3 3887 B8R1.4 C[C@H]1CCC[C@H](C1)O MCULE-9355825371 [1,0,0,1,0,0|1,0,1]=4 3888 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [1,0,0,1,0,0|2,0,0]=4 3889 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [1,0,0,1,0,0|2,0,0]=4 3890 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [1,0,0,1,0,0|2,0,0]=4 3891 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [1,0,0,1,0,0|2,0,0]=4 3892 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [1,0,0,1,0,0|2,0,0]=4 3893 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [1,0,0,1,0,0|2,0,0]=4 3894 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [1,0,0,1,0,0|2,0,0]=4 3895 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [1,0,0,1,0,0|2,0,0]=4 3896 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [1,0,0,1,0,0|2,0,0]=4 3897 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [1,0,0,1,0,0|2,0,0]=4 3898 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [1,0,0,1,0,0|2,0,0]=4 3899 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [1,0,0,1,0,0|1,0,1]=4 3900 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [1,0,0,1,0,0|2,0,0]=4 3901 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [1,0,0,1,0,0|2,0,0]=4 3902 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [1,0,0,1,0,0|1,0,0]=3 3903 B8R1.6 CCCC1CC(=O)C1 MCULE-8820429798 [1,0,0,1,0,0|1,0,0]=3 3904 B8R1.6 COCC1CC(=O)C1 MCULE-2514529767 [1,0,0,1,0,0|2,0,0]=4 3905 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [1,0,0,1,0,0|2,0,0]=4 3906 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [1,0,0,1,0,0|2,0,0]=4 3907 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [1,0,0,1,0,0|2,0,0]=4 3908 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [1,0,0,1,0,0|2,0,0]=4 3909 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [1,0,0,1,0,0|1,0,0]=3 3910 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [1,0,0,1,0,0|1,0,0]=3 3911 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [1,0,0,1,0,0|1,0,0]=3 3912 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [1,0,0,1,0,0|1,0,0]=3 3913 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [1,0,0,1,0,0|2,0,0]=4 3914 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [1,0,0,1,0,0|2,0,0]=4 3915 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [1,0,0,1,0,0|2,0,0]=4 3916 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [1,0,0,1,0,0|2,0,0]=4 3917 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [1,0,0,1,0,0|2,0,0]=4 3918 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [1,0,0,1,0,0|2,0,0]=4 3919 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [1,0,0,1,0,0|2,0,0]=4 3920 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [1,0,0,1,0,0|2,0,0]=4 3921 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [1,0,0,1,0,0|2,0,0]=4 3922 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [1,0,0,1,0,0|2,0,0]=4 3923 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [1,0,0,1,0,0|2,0,0]=4 3924 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [1,0,0,1,0,0|2,0,0]=4 3925 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [1,0,0,1,0,0|2,0,0]=4 3926 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [1,0,0,1,0,0|2,0,0]=4 3927 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [1,0,0,1,0,0|2,0,0]=4 3928 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [1,0,0,1,0,0|2,0,0]=4 3929 B8R1.7 CC(O)C1CCCC1 MCULE-6730583511 [1,0,0,1,0,0|1,0,1]=4 3930 B8R1.7 C[C@@H](O)C1CCCC1 MCULE-2530250478 [1,0,0,1,0,0|1,0,1]=4 3931 B8R1.7 C[C@H](O)C1CCCC1 MCULE-9054245488 [1,0,0,1,0,0|1,0,1]=4 3932 B8R1.7 N=C(N)C1CCCC1 MCULE-3526902612 [1,0,0,1,0,0|2,0,0]=4 3933 B8R1.7 N=C(N)C1CCCC1 MCULE-7613986881 [1,0,0,1,0,0|2,0,0]=4 3934 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [1,0,0,1,0,0|1,0,0]=3 3935 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [1,0,0,1,0,0|2,0,0]=4 3936 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [1,0,0,1,0,0|2,0,0]=4 3937 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [1,0,0,1,0,0|2,0,0]=4 3938 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [1,0,0,1,0,0|2,0,0]=4 3939 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [1,0,0,1,0,0|2,0,0]=4 3940 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [1,0,0,1,0,0|2,0,0]=4 3941 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [1,0,0,1,0,0|2,0,0]=4 3942 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [1,0,0,1,0,0|2,0,0]=4 3943 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [1,0,0,1,0,0|2,0,0]=4 3944 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [1,0,0,1,0,0|2,0,0]=4 3945 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [1,0,0,1,0,0|2,0,0]=4 3946 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [1,0,0,1,0,0|2,0,0]=4 3947 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [1,0,0,1,0,0|2,0,0]=4 3948 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [1,0,0,1,0,0|2,0,0]=4 3949 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [1,0,0,1,0,0|2,0,0]=4 3950 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [1,0,0,1,0,0|2,0,0]=4 3951 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [1,0,0,1,0,0|2,0,0]=4 3952 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [1,0,0,1,0,0|2,0,0]=4 3953 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [1,0,0,1,0,0|2,0,0]=4 3954 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [1,0,0,1,0,0|2,0,0]=4 3955 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [1,0,0,1,0,0|2,0,0]=4 3956 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [1,0,0,1,0,0|2,0,0]=4 3957 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [1,0,0,1,0,0|2,0,0]=4 3958 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [1,0,0,1,0,0|2,0,0]=4 3959 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [1,0,0,1,0,0|2,0,0]=4 3960 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [1,0,0,1,0,0|2,0,0]=4 3961 B8R1.7 NC(=S)C1CCCC1 MCULE-8081902896 [1,0,0,1,0,0|1,1,0]=4 3962 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [1,0,0,1,0,0|1,0,0]=3 3963 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [1,0,0,1,0,0|2,0,0]=4 3964 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [1,0,0,1,0,0|2,0,0]=4 3965 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [1,0,0,1,0,0|2,0,0]=4 3966 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [1,0,0,1,0,0|0,0,2]=4 3967 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [1,0,0,1,0,0|1,0,1]=4 3968 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,1,0,0|0,0,2]=4 3969 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [1,0,0,1,0,0|0,0,2]=4 3970 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [1,0,0,1,0,0|1,0,1]=4 3971 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [1,0,0,1,0,0|0,0,0]=2 3972 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [1,0,0,1,0,0|1,0,0]=3 3973 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [1,0,0,1,0,0|1,0,0]=3 3974 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [1,0,0,1,0,0|1,0,0]=3 3975 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [1,0,0,1,0,0|1,0,0]=3 3976 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [1,0,0,1,0,0|1,0,0]=3 3977 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [1,0,0,1,0,0|1,0,0]=3 3978 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [1,0,0,1,0,0|1,0,0]=3 3979 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [1,0,0,1,0,0|1,0,0]=3 3980 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [1,0,0,1,0,0|1,0,0]=3 3981 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [1,0,0,1,0,0|1,0,0]=3 3982 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [1,0,0,1,0,0|1,0,0]=3 3983 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [1,0,0,1,0,0|1,0,0]=3 3984 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [1,0,0,1,0,0|2,0,0]=4 3985 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [1,0,0,1,0,0|2,0,0]=4 3986 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [1,0,0,1,0,0|2,0,0]=4 3987 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [1,0,0,1,0,0|2,0,0]=4 3988 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [1,0,0,1,0,0|2,0,0]=4 3989 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [1,0,0,1,0,0|2,0,0]=4 3990 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [1,0,0,1,0,0|2,0,0]=4 3991 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [1,0,0,1,0,0|1,0,0]=3 3992 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [1,0,0,1,0,0|1,0,0]=3 3993 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [1,0,0,1,0,0|1,0,0]=3 3994 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [1,0,0,1,0,0|1,0,0]=3 3995 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [1,0,0,1,0,0|1,0,0]=3 3996 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [1,0,0,1,0,0|1,0,0]=3 3997 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [1,0,0,1,0,0|1,0,0]=3 3998 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [1,0,0,1,0,0|1,0,0]=3 3999 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [1,0,0,1,0,0|1,0,0]=3 4000 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [1,0,0,1,0,0|1,0,0]=3 4001 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [1,0,0,1,0,0|1,0,0]=3 4002 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [1,0,0,1,0,0|1,0,0]=3 4003 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [1,0,0,1,0,0|1,0,0]=3 4004 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [1,0,0,1,0,0|2,0,0]=4 4005 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [1,0,0,1,0,0|2,0,0]=4 4006 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [1,0,0,1,0,0|2,0,0]=4 4007 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [1,0,0,1,0,0|2,0,0]=4 4008 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [1,0,0,1,0,0|2,0,0]=4 4009 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [1,0,0,1,0,0|2,0,0]=4 4010 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [1,0,0,1,0,0|1,0,0]=3 4011 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [1,0,0,1,0,0|1,0,0]=3 4012 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [1,0,0,1,0,0|1,0,0]=3 4013 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [1,0,0,1,0,0|1,0,0]=3 4014 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [1,0,0,1,0,0|1,0,0]=3 4015 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [1,0,0,1,0,0|1,0,0]=3 4016 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [1,0,0,1,0,0|1,0,0]=3 4017 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [1,0,0,1,0,0|1,0,0]=3 4018 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [1,0,0,1,0,0|1,0,0]=3 4019 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [1,0,0,1,0,0|1,0,0]=3 4020 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [1,0,0,1,0,0|2,0,0]=4 4021 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [1,0,0,1,0,0|2,0,0]=4 4022 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [1,0,0,1,0,0|1,0,1]=4 4023 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [1,0,0,1,0,0|1,0,1]=4 4024 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [1,0,0,1,0,0|1,0,1]=4 4025 B8R1.7 O=N(=O)C1CCCC1 MCULE-6499665829 [1,0,0,1,0,0|1,0,1]=4 4026 B8R1.7 O=S([O-])C1CCCC1 MCULE-4973639131 [1,0,0,1,0,0|1,0,1]=4 4027 B8R1.7 O=S([O-])C1CCCC1 MCULE-9227389818 [1,0,0,1,0,0|1,0,1]=4 4028 B8R1.7 OB(O)C1CCCC1 MCULE-7101191940 [1,0,0,1,0,0|1,0,1]=4 4029 B8R1.19 CC1CCCS1(=O)=O MCULE-2985632984 [1,0,0,1,0,0|1,0,1]=4 4030 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [1,0,0,1,0,0|0,0,0]=2 4031 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [1,0,0,1,0,0|1,0,0]=3 4032 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [1,0,0,1,0,0|0,0,2]=4 4033 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [1,0,0,1,0,0|1,0,0]=3 4034 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [1,0,0,1,0,0|0,0,0]=2 4035 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [1,0,0,1,0,0|1,0,0]=3 4036 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [1,0,0,1,0,0|1,0,0]=3 4037 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [1,0,0,1,0,0|1,0,0]=3 4038 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [1,0,0,1,0,0|1,0,0]=3 4039 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [1,0,0,1,0,0|1,0,0]=3 4040 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [1,0,0,1,0,0|1,0,0]=3 4041 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [1,0,0,1,0,0|1,0,0]=3 4042 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [1,0,0,1,0,0|1,0,0]=3 4043 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [1,0,0,1,0,0|1,0,0]=3 4044 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [1,0,0,1,0,0|1,0,0]=3 4045 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [1,0,0,1,0,0|1,0,0]=3 4046 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [1,0,0,1,0,0|1,0,0]=3 4047 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [1,0,0,1,0,0|1,0,0]=3 4048 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [1,0,0,1,0,0|1,0,0]=3 4049 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [1,0,0,1,0,0|1,0,0]=3 4050 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [1,0,0,1,0,0|1,0,0]=3 4051 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [1,0,0,1,0,0|1,0,0]=3 4052 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [1,0,0,1,0,0|1,0,0]=3 4053 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [1,0,0,1,0,0|1,0,0]=3 4054 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [1,0,0,1,0,0|1,0,0]=3 4055 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [1,0,0,1,0,0|1,0,0]=3 4056 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [1,0,0,1,0,0|1,0,0]=3 4057 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [1,0,0,1,0,0|1,0,0]=3 4058 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [1,0,0,1,0,0|1,0,0]=3 4059 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [1,0,0,1,0,0|1,0,0]=3 4060 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [1,0,0,1,0,0|1,0,0]=3 4061 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [1,0,0,1,0,0|1,0,0]=3 4062 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [1,0,0,1,0,0|1,0,0]=3 4063 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [1,0,0,1,0,0|1,0,0]=3 4064 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [1,0,0,1,0,0|1,0,0]=3 4065 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [1,0,0,1,0,0|1,0,0]=3 4066 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [1,0,0,1,0,0|1,0,0]=3 4067 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [1,0,0,1,0,0|1,0,0]=3 4068 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [1,0,0,1,0,0|2,0,0]=4 4069 B8R1.34 N=C(N)CC1CCC1 MCULE-7694021103 [1,0,0,1,0,0|2,0,0]=4 4070 B8R1.34 NC(=O)CC1CNC1 MCULE-3085452095 [1,0,0,1,0,0|2,0,0]=4 4071 B8R1.34 NC(=O)CC1CNC1 MCULE-7868797282 [1,0,0,1,0,0|2,0,0]=4 4072 B8R1.34 NC(=O)NC1CCC1 MCULE-4153424610 [1,0,0,1,0,0|2,0,0]=4 4073 B8R1.34 NC(=S)CC1CCC1 MCULE-7458307170 [1,0,0,1,0,0|1,1,0]=4 4074 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [1,0,0,1,0,0|1,0,0]=3 4075 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [1,0,0,1,0,0|0,0,2]=4 4076 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [1,0,0,1,0,0|0,0,0]=2 4077 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [1,0,0,1,0,0|1,0,0]=3 4078 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [1,0,0,1,0,0|1,0,0]=3 4079 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [1,0,0,1,0,0|1,0,0]=3 4080 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [1,0,0,1,0,0|1,0,0]=3 4081 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [1,0,0,1,0,0|1,0,0]=3 4082 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [1,0,0,1,0,0|1,0,0]=3 4083 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [1,0,0,1,0,0|1,0,0]=3 4084 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [1,0,0,1,0,0|1,0,0]=3 4085 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [1,0,0,1,0,0|1,0,0]=3 4086 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [1,0,0,1,0,0|1,0,1]=4 4087 B8R1.35 CC(=O)CCC1CC1 MCULE-1674877061 [1,0,0,1,0,0|1,0,0]=3 4088 B8R1.35 CC(=O)NCC1CC1 MCULE-1770864212 [1,0,0,1,0,0|2,0,0]=4 4089 B8R1.35 NC(=O)CNC1CC1 MCULE-1569675703 [1,0,0,1,0,0|2,0,0]=4 4090 B8R1.35 NC(=O)CNC1CC1 MCULE-2912062351 [1,0,0,1,0,0|2,0,0]=4 4091 B8R1.35 NC(=O)NCC1CC1 MCULE-9526171923 [1,0,0,1,0,0|2,0,0]=4 4092 B8R1.35 O=C(Cl)OCC1CC1 MCULE-5850240668 [1,0,0,1,0,0|2,0,0]=4 4093 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [1,0,0,1,0,0|0,0,2]=4 4094 B8R1.35 O=C(O)C#CC1CC1 MCULE-8494271998 [1,0,0,1,0,0|0,0,2]=4 4095 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [1,0,0,1,0,0|0,0,2]=4 4096 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [1,0,0,1,0,0|0,0,0]=2 4097 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [1,0,0,1,0,0|1,0,0]=3 4098 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [1,0,0,1,0,0|2,0,0]=4 4099 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [1,0,0,1,0,0|1,0,0]=3 4100 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [1,0,0,1,0,0|1,0,0]=3 4101 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [1,0,0,1,0,0|1,0,0]=3 4102 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [1,0,0,1,0,0|1,0,0]=3 4103 B8R1.35 O=N(=O)CCC1CC1 MCULE-7393596142 [1,0,0,1,0,0|1,0,1]=4 4104 B8R1.36 CCCCCC1CO1 MCULE-2249864409 [1,0,0,1,0,0|1,0,1]=4 4105 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [1,0,0,1,0,0|0,0,2]=4 4106 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [1,0,0,1,0,0|0,0,2]=4 4107 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [1,0,0,1,0,0|0,0,2]=4 4108 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [1,0,0,1,0,0|0,0,2]=4 4109 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [1,0,0,1,0,0|0,0,2]=4 4110 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [1,0,0,1,0,0|0,0,2]=4 4111 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [1,0,0,1,0,0|0,0,2]=4 4112 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [1,0,0,1,0,0|0,0,0]=2 4113 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [1,0,0,1,0,0|0,0,0]=2 4114 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [1,0,0,1,0,0|1,0,0]=3 4115 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [1,0,0,1,0,0|1,0,1]=4 4116 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [1,0,0,1,0,0|1,0,1]=4 4117 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [1,0,0,1,0,0|1,0,1]=4 4118 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [1,0,0,1,0,0|1,0,1]=4 4119 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [1,0,0,1,0,0|1,0,1]=4 4120 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [1,0,0,1,0,0|2,0,0]=4 4121 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [1,0,0,1,0,0|1,0,0]=3 4122 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [1,0,0,1,0,0|1,0,0]=3 4123 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [1,0,0,1,0,0|1,0,0]=3 4124 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [1,0,0,1,0,0|1,0,0]=3 4125 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [1,0,0,1,0,0|1,0,0]=3 4126 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [1,0,0,1,0,0|1,0,0]=3 4127 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [1,0,0,1,0,0|1,0,0]=3 4128 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [1,0,0,1,0,0|1,0,0]=3 4129 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [1,0,0,1,0,0|1,0,0]=3 4130 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [1,0,0,1,0,0|1,0,1]=4 4131 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [1,0,0,1,0,0|1,0,1]=4 4132 B8R1.72 CC1(CCCCC1)O MCULE-9091358177 [1,0,0,1,0,0|1,0,1]=4 4133 B8R1.72 N=S1(=O)CCCCC1 MCULE-8920208485 [1,0,0,1,0,0|2,0,0]=4 4134 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [1,0,0,1,0,0|1,0,1]=4 4135 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [1,0,0,1,0,0|1,0,0]=3 4136 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [1,0,0,1,0,0|0,0,0]=2 4137 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [1,0,0,1,0,0|0,0,0]=2 4138 B8R1.18 CC1CC(C(O1)C)N MCULE-3274169856 [1,0,0,1,0,0|1,0,1]=4 4139 B8R1.18 CC1CC(C(O1)C)N MCULE-9455862703 [1,0,0,1,0,0|1,0,1]=4 4140 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [1,0,0,1,0,0|1,0,1]=4 4141 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [1,0,0,1,0,0|1,0,1]=4 4142 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [1,0,0,1,0,0|1,0,1]=4 4143 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [1,0,0,1,0,0|1,0,1]=4 4144 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [1,0,0,1,0,0|1,0,1]=4 4145 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [1,0,0,1,0,0|1,0,1]=4 4146 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [1,0,0,1,0,0|1,0,1]=4 4147 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [1,0,0,1,0,0|1,0,1]=4 4148 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [1,0,0,1,0,0|1,0,1]=4 4149 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [1,0,0,1,0,0|1,0,0]=3 4150 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [1,0,0,1,0,0|0,0,0]=2 4151 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [1,0,0,1,0,0|2,0,0]=4 4152 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [1,0,0,1,0,0|0,0,0]=2 4153 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [1,0,0,1,0,0|1,0,0]=3 4154 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [1,0,0,1,0,0|1,0,0]=3 4155 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [1,0,0,1,0,0|0,0,0]=2 4156 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [1,0,0,1,0,0|2,0,0]=4 4157 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [1,0,0,1,0,0|2,0,0]=4 4158 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [1,0,0,1,0,0|2,0,0]=4 4159 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [1,0,0,1,0,0|2,0,0]=4 4160 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [1,0,0,1,0,0|2,0,0]=4 4161 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [1,0,0,1,0,0|2,0,0]=4 4162 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [1,0,0,1,0,0|2,0,0]=4 4163 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [1,0,0,1,0,0|2,0,0]=4 4164 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [1,0,0,1,0,0|2,0,0]=4 4165 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [1,0,0,1,0,0|2,0,0]=4 4166 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [1,0,0,1,0,0|2,0,0]=4 4167 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [1,0,0,1,0,0|2,0,0]=4 4168 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [1,0,0,1,0,0|2,0,0]=4 4169 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [1,0,0,1,0,0|2,0,0]=4 4170 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [1,0,0,1,0,0|2,0,0]=4 4171 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [1,0,0,1,0,0|2,0,0]=4 4172 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [1,0,0,1,0,0|1,0,1]=4 4173 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [1,0,0,1,0,0|1,0,1]=4 4174 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [1,0,0,1,0,0|1,0,1]=4 4175 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [1,0,0,1,0,0|1,0,1]=4 4176 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [1,0,0,1,0,0|1,0,1]=4 4177 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [1,0,0,1,0,0|2,0,0]=4 4178 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [1,0,0,1,0,0|2,0,0]=4 4179 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [1,0,0,1,0,0|2,0,0]=4 4180 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [1,0,0,1,0,0|1,0,0]=3 4181 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [1,0,0,1,0,0|2,0,0]=4 4182 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [1,0,0,1,0,0|2,0,0]=4 4183 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [1,0,0,1,0,0|2,0,0]=4 4184 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [1,0,0,1,0,0|2,0,0]=4 4185 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [1,0,0,1,0,0|0,0,0]=2 4186 B8R1.54 C=C(C(=O)O)C1CC1 MCULE-9531805422 [1,0,0,1,0,0|1,0,1]=4 4187 B8R1.54 CC(=O)C(C)C1CC1 MCULE-9797389889 [1,0,0,1,0,0|2,0,0]=4 4188 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [1,0,0,1,0,0|1,0,0]=3 4189 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5863587661 [1,0,0,1,0,0|1,0,0]=3 4190 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5987826744 [1,0,0,1,0,0|1,0,0]=3 4191 B8R1.54 NC(=O)C(O)C1CC1 MCULE-4055290448 [1,0,0,1,0,0|2,0,0]=4 4192 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [1,0,0,1,0,0|0,0,0]=2 4193 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [1,0,0,1,0,0|0,0,0]=2 4194 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [1,0,0,1,0,0|0,0,0]=2 4195 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [1,0,0,1,0,0|0,0,0]=2 4196 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [1,0,0,1,0,0|0,0,0]=2 4197 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [1,0,0,1,0,0|0,0,0]=2 4198 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [1,0,0,1,0,0|1,0,1]=4 4199 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [1,0,0,1,0,0|1,0,0]=3 4200 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [1,0,0,1,0,0|1,0,0]=3 4201 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [1,0,0,1,0,0|1,0,0]=3 4202 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [1,0,0,1,0,0|1,0,0]=3 4203 B8R1.78 CC(=O)C1(CCC1)C MCULE-7668067765 [1,0,0,1,0,0|2,0,0]=4 4204 B8R1.78 CC(=O)C1(CCC1)O MCULE-9112690180 [1,0,0,1,0,0|2,0,0]=4 4205 B8R1.78 CC1(CCC1)C(=O)Cl MCULE-4438397604 [1,0,0,1,0,0|2,0,0]=4 4206 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [1,0,0,1,0,0|1,0,0]=3 4207 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [1,0,0,1,0,0|2,0,0]=4 4208 B8R1.78 CC1(CNC1)C(=O)O MCULE-3626067455 [1,0,0,1,0,0|2,0,0]=4 4209 B8R1.78 CC1(CNC1)C(=O)O MCULE-7316902394 [1,0,0,1,0,0|2,0,0]=4 4210 B8R1.78 CC1(COC1)C(=O)O MCULE-6360656030 [1,0,0,1,0,0|2,0,0]=4 4211 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [1,0,0,1,0,0|2,0,0]=4 4212 B8R1.78 NC(=O)C1(CCC1)Br MCULE-3386940591 [1,0,0,1,0,0|2,0,0]=4 4213 B8R1.78 NC(=O)C1(CCC1)N MCULE-1043802844 [1,0,0,1,0,0|1,0,0]=3 4214 B8R1.78 NC(=O)C1(CCC1)N MCULE-8757108427 [1,0,0,1,0,0|1,0,0]=3 4215 B8R1.78 NC(=O)C1(CCC1)O MCULE-9017924933 [1,0,0,1,0,0|2,0,0]=4 4216 B8R1.78 NC(=O)C1(COC1)N MCULE-1019126091 [1,0,0,1,0,0|2,0,0]=4 4217 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-4330568570 [1,0,0,1,0,0|1,0,0]=3 4218 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-9506658674 [1,0,0,1,0,0|1,0,0]=3 4219 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [1,0,0,1,0,0|0,0,0]=2 4220 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [1,0,0,1,0,0|0,0,0]=2 4221 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [1,0,0,1,0,0|1,0,0]=3 4222 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [1,0,0,1,0,0|1,0,0]=3 4223 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [1,0,0,1,0,0|1,0,0]=3 4224 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [1,0,0,1,0,0|1,0,0]=3 4225 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [1,0,0,1,0,0|1,0,0]=3 4226 B8R1.78 O=C(O)C1(CCC1)Br MCULE-2468093858 [1,0,0,1,0,0|1,0,0]=3 4227 B8R1.78 O=C(O)C1(CCC1)F MCULE-5784376163 [1,0,0,1,0,0|1,0,0]=3 4228 B8R1.78 O=C(O)C1(CCC1)O MCULE-3418659917 [1,0,0,1,0,0|1,0,0]=3 4229 B8R1.78 O=C(O)C1(CNC1)F MCULE-7253312158 [1,0,0,1,0,0|2,0,0]=4 4230 B8R1.78 O=C(O)C1(CNC1)O MCULE-3436636334 [1,0,0,1,0,0|2,0,0]=4 4231 B8R1.78 O=C(O)C1(CNC1)O MCULE-4261639250 [1,0,0,1,0,0|2,0,0]=4 4232 B8R1.78 O=C(O)C1(COC1)O MCULE-7009915692 [1,0,0,1,0,0|2,0,0]=4 4233 B10R1.16 CCCCC1=CC(=NN1)O MCULE-7492842023 [0,0,0,1,0,1|1,0,1]=4 4234 B10R1.16 CCCCC1CCC(=O)O1 MCULE-2172174471 [0,0,0,1,0,1|2,0,0]=4 4235 B10R1.16 CCCCC1CNC(=O)C1 MCULE-7940886893 [0,0,0,1,0,1|2,0,0]=4 4236 B10R1.16 CCCCC1COC(=O)N1 MCULE-7413985675 [0,0,0,1,0,1|1,0,0]=3 4237 B10R1.18 CC(=O)CC1CCCCC1 MCULE-4557008527 [0,0,0,1,0,1|2,0,0]=4 4238 B10R1.18 CC(=O)CC1CCCCN1 MCULE-1827771795 [0,0,0,1,0,1|1,0,0]=3 4239 B10R1.18 CC(=O)CC1CCCCN1 MCULE-9317294757 [0,0,0,1,0,1|1,0,0]=3 4240 B10R1.18 CC(=O)CC1CCCCO1 MCULE-1058487646 [0,0,0,1,0,1|2,0,0]=4 4241 B10R1.18 CC(=O)CC1COCCN1 MCULE-5675632157 [0,0,0,1,0,1|2,0,0]=4 4242 B10R1.18 CC(=O)CC1COCCN1 MCULE-9995133275 [0,0,0,1,0,1|2,0,0]=4 4243 B10R1.18 CC(=O)C[C@H]1CCCCN1 MCULE-2330430389 [0,0,0,1,0,1|1,0,0]=3 4244 B10R1.18 CC(=O)NC1CCCCC1 MCULE-8353778142 [0,0,0,1,0,1|2,0,0]=4 4245 B10R1.18 CC(=O)OC1CCCCC1 MCULE-8221153491 [0,0,0,1,0,1|2,0,0]=4 4246 B10R1.18 CC(=O)OC1CCCCS1 MCULE-7999769363 [0,0,0,1,0,1|2,0,0]=4 4247 B10R1.18 CC(O)CC1CCCCN1 MCULE-5900716273 [0,0,0,1,0,1|1,0,1]=4 4248 B10R1.18 NC(=O)CC1CCCCC1 MCULE-4951525688 [0,0,0,1,0,1|2,0,0]=4 4249 B10R1.18 NC(=O)CC1CCCCN1 MCULE-2185479052 [0,0,0,1,0,1|1,0,0]=3 4250 B10R1.18 NC(=O)CC1CCCCN1 MCULE-4538477610 [0,0,0,1,0,1|1,0,0]=3 4251 B10R1.18 NC(=O)CC1COCCN1 MCULE-1907387140 [0,0,0,1,0,1|2,0,0]=4 4252 B10R1.18 NC(=O)CC1COCCN1 MCULE-6398693859 [0,0,0,1,0,1|2,0,0]=4 4253 B10R1.18 NC(=O)NC1CCCCC1 MCULE-8036346010 [0,0,0,1,0,1|2,0,0]=4 4254 B10R1.18 NC(=O)OC1CCCCC1 MCULE-3235010863 [0,0,0,1,0,1|2,0,0]=4 4255 B10R1.18 O=C(Cl)CC1CCCCC1 MCULE-2220383860 [0,0,0,1,0,1|2,0,0]=4 4256 B10R1.18 O=C(Cl)OC1CCCCC1 MCULE-4011557961 [0,0,0,1,0,1|2,0,0]=4 4257 B10R1.18 O=C(O)C=C1CCCCC1 MCULE-2830279446 [0,0,0,1,0,1|1,0,1]=4 4258 B10R1.18 O=C(O)CC1=CCCCC1 MCULE-9909477927 [0,0,0,1,0,1|1,0,1]=4 4259 B10R1.18 O=C(O)CC1C=CCCC1 MCULE-3207533436 [0,0,0,1,0,1|1,0,1]=4 4260 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [0,0,0,1,0,1|1,0,0]=3 4261 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7593127940 [0,0,0,1,0,1|0,0,0]=2 4262 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7653711252 [0,0,0,1,0,1|0,0,0]=2 4263 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [0,0,0,1,0,1|1,0,0]=3 4264 B10R1.18 O=C(O)CC1CCCNC1 MCULE-3254470591 [0,0,0,1,0,1|2,0,0]=4 4265 B10R1.18 O=C(O)CC1CCCNC1 MCULE-7958803985 [0,0,0,1,0,1|2,0,0]=4 4266 B10R1.18 O=C(O)CC1CCCOC1 MCULE-5877605158 [0,0,0,1,0,1|2,0,0]=4 4267 B10R1.18 O=C(O)CC1CCNCC1 MCULE-1130327966 [0,0,0,1,0,1|2,0,0]=4 4268 B10R1.18 O=C(O)CC1CCNCC1 MCULE-2100213856 [0,0,0,1,0,1|2,0,0]=4 4269 B10R1.18 O=C(O)CC1CCOCC1 MCULE-7878329119 [0,0,0,1,0,1|2,0,0]=4 4270 B10R1.18 O=C(O)CC1CCSCC1 MCULE-3567762107 [0,0,0,1,0,1|2,0,0]=4 4271 B10R1.18 O=C(O)CC1CNCCN1 MCULE-5141588986 [0,0,0,1,0,1|1,0,0]=3 4272 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3058504133 [0,0,0,1,0,1|2,0,0]=4 4273 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3387061328 [0,0,0,1,0,1|2,0,0]=4 4274 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4327756750 [0,0,0,1,0,1|2,0,0]=4 4275 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4883251317 [0,0,0,1,0,1|2,0,0]=4 4276 B10R1.18 O=C(O)CC1COCCN1 MCULE-4486190659 [0,0,0,1,0,1|1,0,0]=3 4277 B10R1.18 O=C(O)CC1COCCN1 MCULE-8010316572 [0,0,0,1,0,1|1,0,0]=3 4278 B10R1.18 O=C(O)CC1COCCO1 MCULE-8632741098 [0,0,0,1,0,1|2,0,0]=4 4279 B10R1.18 O=C(O)CC1CSCCS1 MCULE-4793456872 [0,0,0,1,0,1|2,0,0]=4 4280 B10R1.18 O=C(O)CC1OCCCO1 MCULE-1471723881 [0,0,0,1,0,1|2,0,0]=4 4281 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9137136186 [0,0,0,1,0,1|2,0,0]=4 4282 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9769416161 [0,0,0,1,0,1|2,0,0]=4 4283 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-3905830299 [0,0,0,1,0,1|0,0,0]=2 4284 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-5277218457 [0,0,0,1,0,1|0,0,0]=2 4285 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-7510387772 [0,0,0,1,0,1|0,0,0]=2 4286 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-5325818659 [0,0,0,1,0,1|2,0,0]=4 4287 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-7001078313 [0,0,0,1,0,1|2,0,0]=4 4288 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-8120215253 [0,0,0,1,0,1|2,0,0]=4 4289 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-9602652995 [0,0,0,1,0,1|2,0,0]=4 4290 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4498530905 [0,0,0,1,0,1|2,0,0]=4 4291 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4549445854 [0,0,0,1,0,1|2,0,0]=4 4292 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-5055136882 [0,0,0,1,0,1|2,0,0]=4 4293 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-7244079860 [0,0,0,1,0,1|2,0,0]=4 4294 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-2046760558 [0,0,0,1,0,1|1,0,0]=3 4295 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-4473145834 [0,0,0,1,0,1|1,0,0]=3 4296 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-5100169676 [0,0,0,1,0,1|1,0,0]=3 4297 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-3680996115 [0,0,0,1,0,1|0,0,0]=2 4298 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-4674662417 [0,0,0,1,0,1|0,0,0]=2 4299 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-1302740697 [0,0,0,1,0,1|2,0,0]=4 4300 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-2509529219 [0,0,0,1,0,1|2,0,0]=4 4301 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-3753473259 [0,0,0,1,0,1|2,0,0]=4 4302 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-9619904988 [0,0,0,1,0,1|2,0,0]=4 4303 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-1832902178 [0,0,0,1,0,1|2,0,0]=4 4304 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5015018730 [0,0,0,1,0,1|2,0,0]=4 4305 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5838446318 [0,0,0,1,0,1|2,0,0]=4 4306 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-9119322865 [0,0,0,1,0,1|2,0,0]=4 4307 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-8571286067 [0,0,0,1,0,1|1,0,0]=3 4308 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-9555376320 [0,0,0,1,0,1|1,0,0]=3 4309 B10R1.18 O=C(O)NC1CCCCC1 MCULE-5645794848 [0,0,0,1,0,1|1,0,0]=3 4310 B10R1.54 CC1CCC(C1)CC(=O)O MCULE-2712956835 [0,0,0,1,0,1|1,0,0]=3 4311 B10R1.54 CC1CCC(O1)CC(=O)O MCULE-8857014749 [0,0,0,1,0,1|1,0,0]=3 4312 B10R1.54 CC1CCN(C1)CC(=O)O MCULE-1407049911 [0,0,0,1,0,1|2,0,0]=4 4313 B10R1.54 CC1CCN(C1)CC(=O)O MCULE-9097138381 [0,0,0,1,0,1|2,0,0]=4 4314 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-6518175603 [0,0,0,1,0,1|2,0,0]=4 4315 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-7858558191 [0,0,0,1,0,1|2,0,0]=4 4316 B10R1.54 O=C(O)CC1CCC(=O)N1 MCULE-4378271581 [0,0,0,1,0,1|1,0,1]=4 4317 B10R1.54 O=C(O)CC1CCC(C1)O MCULE-1306554926 [0,0,0,1,0,1|2,0,0]=4 4318 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-2294433482 [0,0,0,1,0,1|1,0,1]=4 4319 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-6637712682 [0,0,0,1,0,1|1,0,1]=4 4320 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](C1)O MCULE-2394601749 [0,0,0,1,0,1|2,0,0]=4 4321 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-1080082151 [0,0,0,1,0,1|1,0,1]=4 4322 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-2947978966 [0,0,0,1,0,1|1,0,1]=4 4323 B10R1.61 CC(=O)C1=C(CCCC1)N MCULE-6911820459 [0,0,0,1,0,1|1,0,1]=4 4324 B10R1.61 CC(=O)C1CCCCC1C MCULE-9283684652 [0,0,0,1,0,1|2,0,0]=4 4325 B10R1.61 CC(=O)C1CCCCC1F MCULE-4625331195 [0,0,0,1,0,1|2,0,0]=4 4326 B10R1.61 CC(=O)C1CCCCC1N MCULE-2419182932 [0,0,0,1,0,1|1,0,0]=3 4327 B10R1.61 CC(=O)C1CCCCC1N MCULE-6311029678 [0,0,0,1,0,1|1,0,0]=3 4328 B10R1.61 CC1=C(CCCC1)C(=O)O MCULE-2899177590 [0,0,0,1,0,1|1,0,1]=4 4329 B10R1.61 CC1CCCC=C1C(=O)O MCULE-2002913109 [0,0,0,1,0,1|1,0,1]=4 4330 B10R1.61 CC1CCCCC1C(=O)Cl MCULE-7597713129 [0,0,0,1,0,1|2,0,0]=4 4331 B10R1.61 CC1CCCCC1C(=O)O MCULE-3305682191 [0,0,0,1,0,1|1,0,0]=3 4332 B10R1.61 CC1CCCCN1C(=O)Cl MCULE-6389946008 [0,0,0,1,0,1|2,0,0]=4 4333 B10R1.61 CC1CCNCC1C(=O)O MCULE-8748624987 [0,0,0,1,0,1|2,0,0]=4 4334 B10R1.61 CC1CCNCC1C(=O)O MCULE-9934986088 [0,0,0,1,0,1|2,0,0]=4 4335 B10R1.61 CC1CNCCC1C(=O)O MCULE-4662714630 [0,0,0,1,0,1|2,0,0]=4 4336 B10R1.61 CC1CNCCC1C(=O)O MCULE-7019458300 [0,0,0,1,0,1|2,0,0]=4 4337 B10R1.61 CC1COCCC1C(=O)O MCULE-3541844170 [0,0,0,1,0,1|2,0,0]=4 4338 B10R1.61 CC1NCCCC1C(=O)O MCULE-1657397096 [0,0,0,1,0,1|2,0,0]=4 4339 B10R1.61 CC1NCCCC1C(=O)O MCULE-3297923255 [0,0,0,1,0,1|2,0,0]=4 4340 B10R1.61 CC1OCCCC1C(=O)O MCULE-1412449239 [0,0,0,1,0,1|2,0,0]=4 4341 B10R1.61 CN1CCCCC1C(=O)O MCULE-3456275150 [0,0,0,1,0,1|2,0,0]=4 4342 B10R1.61 CN1CCCCC1C(=O)O MCULE-6372652181 [0,0,0,1,0,1|2,0,0]=4 4343 B10R1.61 CN1CCCCC1C(=O)O MCULE-7834522939 [0,0,0,1,0,1|2,0,0]=4 4344 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2245294368 [0,0,0,1,0,1|2,0,0]=4 4345 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2258119449 [0,0,0,1,0,1|2,0,0]=4 4346 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-4757725445 [0,0,0,1,0,1|2,0,0]=4 4347 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-9648696079 [0,0,0,1,0,1|2,0,0]=4 4348 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5396822712 [0,0,0,1,0,1|2,0,0]=4 4349 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5529863786 [0,0,0,1,0,1|2,0,0]=4 4350 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O MCULE-5453839569 [0,0,0,1,0,1|2,0,0]=4 4351 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O MCULE-8712948607 [0,0,0,1,0,1|2,0,0]=4 4352 B10R1.61 C[C@@H]1NCCC[C@H]1C(=O)O MCULE-4097586923 [0,0,0,1,0,1|2,0,0]=4 4353 B10R1.61 C[C@H]1NCCC[C@@H]1C(=O)O MCULE-1705027594 [0,0,0,1,0,1|2,0,0]=4 4354 B10R1.61 C[C@H]1NCCC[C@H]1C(=O)O MCULE-8221283836 [0,0,0,1,0,1|2,0,0]=4 4355 B10R1.61 C[C@H]1NCCC[C@H]1C(=O)O MCULE-8542699735 [0,0,0,1,0,1|2,0,0]=4 4356 B10R1.61 C[C@H]1OCCC[C@H]1C(=O)O MCULE-9860065784 [0,0,0,1,0,1|2,0,0]=4 4357 B10R1.61 NC(=O)C1CCCCC1N MCULE-2662216069 [0,0,0,1,0,1|1,0,0]=3 4358 B10R1.61 NC(=O)C1CCCCC1N MCULE-7467804033 [0,0,0,1,0,1|1,0,0]=3 4359 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N MCULE-2263565157 [0,0,0,1,0,1|1,0,0]=3 4360 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N MCULE-4928808183 [0,0,0,1,0,1|1,0,0]=3 4361 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N MCULE-3135295628 [0,0,0,1,0,1|1,0,0]=3 4362 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N MCULE-6221057684 [0,0,0,1,0,1|1,0,0]=3 4363 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N MCULE-8654148060 [0,0,0,1,0,1|1,0,0]=3 4364 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N MCULE-9581516213 [0,0,0,1,0,1|1,0,0]=3 4365 B10R1.61 NC1=C(CCCC1)C(=O)O MCULE-4360190675 [0,0,0,1,0,1|0,0,1]=3 4366 B10R1.61 NC1C=CCCC1C(=O)O MCULE-4465863020 [0,0,0,1,0,1|0,0,2]=4 4367 B10R1.61 NC1C=CCCC1C(=O)O MCULE-7419185648 [0,0,0,1,0,1|0,0,2]=4 4368 B10R1.61 NC1CC=CCC1C(=O)O MCULE-1611474561 [0,0,0,1,0,1|0,0,2]=4 4369 B10R1.61 NC1CC=CCC1C(=O)O MCULE-7218542670 [0,0,0,1,0,1|0,0,2]=4 4370 B10R1.61 NC1CCCCC1C(=O)O MCULE-4736252154 [0,0,0,1,0,1|0,0,0]=2 4371 B10R1.61 NC1CCCCC1C(=O)O MCULE-6203238767 [0,0,0,1,0,1|0,0,0]=2 4372 B10R1.61 NC1COCCC1C(=O)O MCULE-3475622537 [0,0,0,1,0,1|1,0,0]=3 4373 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O MCULE-5919685636 [0,0,0,1,0,1|0,0,2]=4 4374 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O MCULE-7012622007 [0,0,0,1,0,1|0,0,2]=4 4375 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O MCULE-7228704167 [0,0,0,1,0,1|0,0,2]=4 4376 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-2340179433 [0,0,0,1,0,1|0,0,2]=4 4377 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-5382709957 [0,0,0,1,0,1|0,0,2]=4 4378 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-5760660665 [0,0,0,1,0,1|0,0,2]=4 4379 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-7312327841 [0,0,0,1,0,1|0,0,2]=4 4380 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O MCULE-6730051789 [0,0,0,1,0,1|0,0,2]=4 4381 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1790728170 [0,0,0,1,0,1|0,0,0]=2 4382 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-3150171920 [0,0,0,1,0,1|0,0,0]=2 4383 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4600025587 [0,0,0,1,0,1|0,0,0]=2 4384 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-9708582870 [0,0,0,1,0,1|0,0,0]=2 4385 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-3088249896 [0,0,0,1,0,1|0,0,0]=2 4386 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-4663931442 [0,0,0,1,0,1|0,0,0]=2 4387 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-6017464144 [0,0,0,1,0,1|0,0,0]=2 4388 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-9507759371 [0,0,0,1,0,1|0,0,0]=2 4389 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O MCULE-1084812750 [0,0,0,1,0,1|0,0,2]=4 4390 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O MCULE-7223852983 [0,0,0,1,0,1|0,0,2]=4 4391 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-2088008231 [0,0,0,1,0,1|0,0,2]=4 4392 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-2783014205 [0,0,0,1,0,1|0,0,2]=4 4393 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-4211428411 [0,0,0,1,0,1|0,0,2]=4 4394 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-6091505598 [0,0,0,1,0,1|0,0,2]=4 4395 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-2040720562 [0,0,0,1,0,1|0,0,0]=2 4396 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-5411687824 [0,0,0,1,0,1|0,0,0]=2 4397 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-6353451287 [0,0,0,1,0,1|0,0,0]=2 4398 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-9744443114 [0,0,0,1,0,1|0,0,0]=2 4399 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-1070315128 [0,0,0,1,0,1|0,0,0]=2 4400 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-2665445473 [0,0,0,1,0,1|0,0,0]=2 4401 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-5776301031 [0,0,0,1,0,1|0,0,0]=2 4402 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-7183400727 [0,0,0,1,0,1|0,0,0]=2 4403 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O MCULE-4608934385 [0,0,0,1,0,1|1,0,0]=3 4404 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O MCULE-7590284479 [0,0,0,1,0,1|1,0,0]=3 4405 B10R1.61 O=C(O)C1=C(CCCC1)Br MCULE-4432967237 [0,0,0,1,0,1|1,0,1]=4 4406 B10R1.61 O=C(O)C1=C(CCCC1)Cl MCULE-4191246644 [0,0,0,1,0,1|1,0,1]=4 4407 B10R1.61 O=C(O)C1CCCCC1=O MCULE-1684765148 [0,0,0,1,0,1|1,0,1]=4 4408 B10R1.61 O=C(O)C1CCCCC1F MCULE-9495362772 [0,0,0,1,0,1|1,0,0]=3 4409 B10R1.61 O=C(O)C1CCCCC1O MCULE-4502285714 [0,0,0,1,0,1|1,0,0]=3 4410 B10R1.61 O=C(O)C1CCCCN1O MCULE-1338694603 [0,0,0,1,0,1|2,0,0]=4 4411 B10R1.61 O=C(O)C1CCNCC1F MCULE-5749357486 [0,0,0,1,0,1|2,0,0]=4 4412 B10R1.61 O=C(O)C1CCNCC1F MCULE-7431262807 [0,0,0,1,0,1|2,0,0]=4 4413 B10R1.61 O=C(O)C1NCCCC1O MCULE-2981139992 [0,0,0,1,0,1|2,0,0]=4 4414 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O MCULE-2224593354 [0,0,0,1,0,1|2,0,0]=4 4415 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O MCULE-3743184576 [0,0,0,1,0,1|2,0,0]=4 4416 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-2137327596 [0,0,0,1,0,1|2,0,0]=4 4417 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-3028221093 [0,0,0,1,0,1|2,0,0]=4 4418 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-3468221525 [0,0,0,1,0,1|2,0,0]=4 4419 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-5449397815 [0,0,0,1,0,1|2,0,0]=4 4420 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-2786788134 [0,0,0,1,0,1|2,0,0]=4 4421 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-3262303247 [0,0,0,1,0,1|2,0,0]=4 4422 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-4026886814 [0,0,0,1,0,1|2,0,0]=4 4423 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-4165843552 [0,0,0,1,0,1|2,0,0]=4 4424 B10R1.91 CCOC1C(C1C(=O)O)C MCULE-2261632181 [0,0,0,1,0,1|2,0,0]=4 4425 B10R1.120 CC1CCC(CS1(=O)=O)N MCULE-2396887358 [0,0,0,1,0,1|1,0,1]=4 4426 B10R1.120 CC1CCC(CS1(=O)=O)N MCULE-2433543226 [0,0,0,1,0,1|1,0,1]=4 4427 B10R1.144 CCCCC1CC1C(=O)O MCULE-5737299312 [0,0,0,1,0,1|1,0,0]=3 4428 B10R1.165 CCC1CN(C1C(=O)O)C MCULE-5939427175 [0,0,0,1,0,1|2,0,0]=4 4429 B10R1.165 CCC1CN([C@@H]1C(=O)O)C MCULE-3015108374 [0,0,0,1,0,1|2,0,0]=4 4430 B10R1.165 CCC1CN([C@@H]1C(=O)O)C MCULE-3864383046 [0,0,0,1,0,1|2,0,0]=4 4431 B10R1.168 CCC1CN(C1)CC(=O)O MCULE-2392138654 [0,0,0,1,0,1|2,0,0]=4 4432 B10R1.168 CCC1CN(C1)CC(=O)O MCULE-5514382088 [0,0,0,1,0,1|2,0,0]=4 4433 B10R1.266 CC(CC(=O)O)C1CCC1 MCULE-6722364184 [0,0,0,1,0,1|1,0,0]=3 4434 B10R1.266 CN(CC(=O)O)C1CCC1 MCULE-1496285495 [0,0,0,1,0,1|2,0,0]=4 4435 B10R1.266 NC(CC(=O)O)C1CCC1 MCULE-2395479190 [0,0,0,1,0,1|0,0,0]=2 4436 B10R1.266 NC(CC(=O)O)C1CCC1 MCULE-6970002304 [0,0,0,1,0,1|0,0,0]=2 4437 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 MCULE-5065468951 [0,0,0,1,0,1|0,0,0]=2 4438 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 MCULE-5782293460 [0,0,0,1,0,1|0,0,0]=2 4439 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 MCULE-7296271886 [0,0,0,1,0,1|0,0,0]=2 4440 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 MCULE-8027827308 [0,0,0,1,0,1|0,0,0]=2 4441 B10R1.268 O=C(O)CS(=O)CC1CC1 MCULE-8236079442 [0,0,0,1,0,1|2,0,0]=4 4442 B10R1.370 CC1(CCCC1)CC(=O)O MCULE-4967984413 [0,0,0,1,0,1|1,0,0]=3 4443 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-5280016961 [0,0,0,1,0,1|0,0,0]=2 4444 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-8706705761 [0,0,0,1,0,1|0,0,0]=2 4445 B10R1.370 NC1(CCSC1)CC(=O)O MCULE-1913904908 [0,0,0,1,0,1|1,0,0]=3 4446 B10R1.370 O=C(O)CC1(CCCC1)O MCULE-7504539994 [0,0,0,1,0,1|1,0,0]=3 4447 B10R1.370 O=C(O)CC1(CCOC1)O MCULE-7553623965 [0,0,0,1,0,1|2,0,0]=4 4448 B10R1.28 CC(C)(O)C1CCCCN1 MCULE-6643036551 [0,1,0,1,0,0|1,0,1]=4 4449 B10R1.28 CC(C)(O)C1CCCCN1 MCULE-8918854525 [0,1,0,1,0,0|1,0,1]=4 4450 B10R1.28 O=P(O)(O)C1CCCCC1 MCULE-5721503179 [0,1,0,1,0,0|2,0,0]=4 4451 B10R1.300 O=C1CCCCCC1(F)F MCULE-2460590566 [0,1,0,1,0,0|2,0,0]=4 4452 B10R1.300 O=C1NCCCCC1(Br)Br MCULE-5877950194 [0,1,0,1,0,0|2,0,0]=4 4453 B10R1.300 O=C1NCCCCC1(Cl)Cl MCULE-4497739252 [0,1,0,1,0,0|2,0,0]=4 4454 B10R1.23 CC(=C1CCCC1)C(=O)O MCULE-3562031446 [0,1,0,1,0,0|1,0,1]=4 4455 B10R1.23 CC(C(=O)N)N1CCCC1 MCULE-9785241457 [0,1,0,1,0,0|2,0,0]=4 4456 B10R1.23 CC(C(=O)O)C1CCCC1 MCULE-5802736245 [0,1,0,1,0,0|1,0,0]=3 4457 B10R1.23 CC(C(=O)O)C1CCCO1 MCULE-7845267101 [0,1,0,1,0,0|1,0,0]=3 4458 B10R1.23 CC(C(=O)O)C1CCOC1 MCULE-7866218529 [0,1,0,1,0,0|1,0,0]=3 4459 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-1089880160 [0,1,0,1,0,0|1,0,0]=3 4460 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-6643699902 [0,1,0,1,0,0|1,0,0]=3 4461 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-9316791928 [0,1,0,1,0,0|1,0,0]=3 4462 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3614375066 [0,1,0,1,0,0|1,0,0]=3 4463 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3855579270 [0,1,0,1,0,0|1,0,0]=3 4464 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8338161515 [0,1,0,1,0,0|1,0,0]=3 4465 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8839356147 [0,1,0,1,0,0|1,0,0]=3 4466 B10R1.23 NC(=O)C(F)C1CCCC1 MCULE-2132325699 [0,1,0,1,0,0|2,0,0]=4 4467 B10R1.23 NC(=O)C(N)C1CCCC1 MCULE-5304987336 [0,1,0,1,0,0|1,0,0]=3 4468 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7146175523 [0,1,0,1,0,0|0,0,0]=2 4469 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7746486136 [0,1,0,1,0,0|0,0,0]=2 4470 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-9888348666 [0,1,0,1,0,0|0,0,0]=2 4471 B10R1.23 NC(C(=O)O)C1CCCO1 MCULE-3670924700 [0,1,0,1,0,0|0,0,0]=2 4472 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-1642984994 [0,1,0,1,0,0|0,0,0]=2 4473 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-8012924580 [0,1,0,1,0,0|0,0,0]=2 4474 B10R1.23 NC(C(=O)O)C1CCOC1 MCULE-9063647673 [0,1,0,1,0,0|0,0,0]=2 4475 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-2078695461 [0,1,0,1,0,0|0,0,0]=2 4476 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-7548517913 [0,1,0,1,0,0|0,0,0]=2 4477 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-1391706498 [0,1,0,1,0,0|0,0,0]=2 4478 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-5447481000 [0,1,0,1,0,0|0,0,0]=2 4479 B10R1.23 O=C(O)C(=C1CCCC1)F MCULE-7724617873 [0,1,0,1,0,0|1,0,1]=4 4480 B10R1.23 O=C(O)C(=C1CCCC1)S MCULE-2991118664 [0,1,0,1,0,0|1,0,1]=4 4481 B10R1.23 O=C(O)C(=O)C1CCCC1 MCULE-3971745471 [0,1,0,1,0,0|1,0,1]=4 4482 B10R1.23 O=C(O)C(=O)C1CCOC1 MCULE-9419104810 [0,1,0,1,0,0|1,0,1]=4 4483 B10R1.23 O=C(O)C(=O)N1CCCC1 MCULE-9901176707 [0,1,0,1,0,0|1,0,1]=4 4484 B10R1.23 O=C(O)C(Br)C1CCCC1 MCULE-1051918450 [0,1,0,1,0,0|1,0,0]=3 4485 B10R1.23 O=C(O)C(F)C1CCCC1 MCULE-8637303916 [0,1,0,1,0,0|1,0,0]=3 4486 B10R1.23 O=C(O)C(F)C1CCOC1 MCULE-4380204267 [0,1,0,1,0,0|1,0,0]=3 4487 B10R1.23 O=C(O)C(O)C1CCCC1 MCULE-1471598195 [0,1,0,1,0,0|1,0,0]=3 4488 B10R1.23 O=C(O)C(O)C1CCNC1 MCULE-8304713060 [0,1,0,1,0,0|1,0,0]=3 4489 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 MCULE-6560406332 [0,1,0,1,0,0|1,0,0]=3 4490 B10R1.23 O=C(O)[C@H](O)C1CCCC1 MCULE-1883242923 [0,1,0,1,0,0|1,0,0]=3 4491 B10R1.34 O=C1OC(C(C1O)O)CO MCULE-4992937478 [0,1,0,1,0,0|2,0,0]=4 4492 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO MCULE-4238222743 [0,1,0,1,0,0|2,0,0]=4 4493 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO MCULE-8746085882 [0,1,0,1,0,0|2,0,0]=4 4494 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO MCULE-1302555586 [0,1,0,1,0,0|2,0,0]=4 4495 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO MCULE-6947519194 [0,1,0,1,0,0|2,0,0]=4 4496 B10R1.34 O=C1O[C@@H]([C@H]([C@@H]1O)O)CO MCULE-3419728176 [0,1,0,1,0,0|2,0,0]=4 4497 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1F)O)CO MCULE-9538867890 [0,1,0,1,0,0|2,0,0]=4 4498 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-1946078293 [0,1,0,1,0,0|2,0,0]=4 4499 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-4119913524 [0,1,0,1,0,0|2,0,0]=4 4500 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-7655191062 [0,1,0,1,0,0|2,0,0]=4 4501 B10R1.34 O=C1O[C@H]([C@@H]([C@@H]1O)O)CO MCULE-9668504351 [0,1,0,1,0,0|2,0,0]=4 4502 B10R1.34 O=C1O[C@H]([C@@H]([C@H]1O)O)CO MCULE-2196473829 [0,1,0,1,0,0|2,0,0]=4 4503 B10R1.34 O=C1O[C@H]([C@@H]([C@H]1O)O)CO MCULE-2293188422 [0,1,0,1,0,0|2,0,0]=4 4504 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO MCULE-7094668506 [0,1,0,1,0,0|2,0,0]=4 4505 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO MCULE-8957458384 [0,1,0,1,0,0|2,0,0]=4 4506 B10R1.59 CC1CC(=O)NC1C(=O)O MCULE-1142843058 [0,1,0,1,0,0|1,0,1]=4 4507 B10R1.59 CC1CC(C(O1)C(=O)O)C MCULE-6609295709 [0,1,0,1,0,0|1,0,0]=3 4508 B10R1.59 CC1CC(C(O1)C)C(=O)O MCULE-4495071251 [0,1,0,1,0,0|2,0,0]=4 4509 B10R1.59 CC1CC(N(C1)C)C(=O)O MCULE-1544526499 [0,1,0,1,0,0|2,0,0]=4 4510 B10R1.59 CC1CC(N(C1)C)C(=O)O MCULE-4035906246 [0,1,0,1,0,0|2,0,0]=4 4511 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O MCULE-5687745727 [0,1,0,1,0,0|1,0,1]=4 4512 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(=O)O MCULE-3978079245 [0,1,0,1,0,0|1,0,1]=4 4513 B10R1.59 C[C@@H]1C[C@H](N(C1)C)C(=O)O MCULE-3249388528 [0,1,0,1,0,0|2,0,0]=4 4514 B10R1.59 C[C@@H]1C[C@H](N(C1)C)C(=O)O MCULE-5892295670 [0,1,0,1,0,0|2,0,0]=4 4515 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O MCULE-1352855018 [0,1,0,1,0,0|1,0,1]=4 4516 B10R1.59 C[C@H]1CC(=O)N[C@H]1C(=O)O MCULE-6205979547 [0,1,0,1,0,0|1,0,1]=4 4517 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-1379494499 [0,1,0,1,0,0|2,0,0]=4 4518 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-1502363575 [0,1,0,1,0,0|2,0,0]=4 4519 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-1565262465 [0,1,0,1,0,0|2,0,0]=4 4520 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-4515635703 [0,1,0,1,0,0|2,0,0]=4 4521 B10R1.59 [C@H]1(C[C@H](CN1C)C)C(=O)O MCULE-6457651208 [0,1,0,1,0,0|2,0,0]=4 4522 B10R1.86 C1(CCN1CCC)C(=O)O MCULE-6068820697 [0,1,0,1,0,0|2,0,0]=4 4523 B10R1.86 CCCN1CCC1C(=O)O MCULE-3134623791 [0,1,0,1,0,0|2,0,0]=4 4524 B10R1.86 CCCN1CC[C@H]1C(=O)O MCULE-3091851598 [0,1,0,1,0,0|2,0,0]=4 4525 B10R1.86 CCCN1CC[C@H]1C(=O)O MCULE-5611349990 [0,1,0,1,0,0|2,0,0]=4 4526 B10R1.275 CC1CCCCN(C1=O)C MCULE-9029797301 [0,1,0,1,0,0|2,0,0]=4 4527 B10R1.275 CN1CCCCC(C1=O)N MCULE-1128026770 [0,1,0,1,0,0|1,0,0]=3 4528 B10R1.275 CN1CCCCC(C1=O)N MCULE-5720348878 [0,1,0,1,0,0|1,0,0]=3 4529 B10R1.275 CN1CCCC[C@@H](C1=O)N MCULE-2695124435 [0,1,0,1,0,0|1,0,0]=3 4530 B10R1.275 CN1CCCC[C@@H](C1=O)N MCULE-5087189943 [0,1,0,1,0,0|1,0,0]=3 4531 B10R1.275 CN1CCCC[C@@H](C1=O)N MCULE-8004795447 [0,1,0,1,0,0|1,0,0]=3 4532 B10R1.275 CN1CCCC[C@@H](C1=O)N MCULE-8596695391 [0,1,0,1,0,0|1,0,0]=3 4533 B10R1.275 CN1CCCC[C@H](C1=O)N MCULE-3422308826 [0,1,0,1,0,0|1,0,0]=3 4534 B10R1.275 CN1CCCC[C@H](C1=O)N MCULE-6992352501 [0,1,0,1,0,0|1,0,0]=3 4535 B10R1.275 N[C@@H]1CCCC[C@H]([C@@H]1O)O MCULE-8809733803 [0,1,0,1,0,0|0,0,2]=4 4536 B10R1.278 CC(C1CC1)C(N)C(=O)O MCULE-4997364057 [0,1,0,1,0,0|0,0,0]=2 4537 B10R1.278 CC(C1CC1)C(N)C(=O)O MCULE-9996915560 [0,1,0,1,0,0|0,0,0]=2 4538 B10R1.291 CC1CCCC1(C)C(=O)O MCULE-3149463709 [0,1,0,1,0,0|1,0,0]=3 4539 B10R1.291 CC1OCCC1(C)C(=O)O MCULE-4774939870 [0,1,0,1,0,0|1,0,0]=3 4540 B10R1.291 CN1CCCC1(C)C(=O)O MCULE-3073966944 [0,1,0,1,0,0|1,0,0]=3 4541 B10R1.291 CN1CCC[C@@]1(C)C(=O)O MCULE-3527940712 [0,1,0,1,0,0|1,0,0]=3 4542 B10R1.291 CN1CCC[C@]1(C)C(=O)O MCULE-2144267845 [0,1,0,1,0,0|1,0,0]=3 4543 B10R1.291 C[C@]1(CCC[C@@H]1N)C(=O)O MCULE-2571628010 [0,1,0,1,0,0|1,0,0]=3 4544 B10R1.291 C[C@]1(CCC[C@@H]1N)C(=O)O MCULE-3056122824 [0,1,0,1,0,0|1,0,0]=3 4545 B10R1.495 CC(C(=O)O)C1(CCC1)O MCULE-2874864037 [0,1,0,1,0,0|1,0,0]=3 4546 B10R1.495 CC1(COC1)C(N)C(=O)O MCULE-3054998452 [0,1,0,1,0,0|1,0,0]=3 4547 B10R1.495 CC1(COC1)[C@H](N)C(=O)O MCULE-3689733091 [0,1,0,1,0,0|1,0,0]=3 4548 B10R1.495 O=C(O)C(O)C1(CCC1)O MCULE-5858632598 [0,1,0,1,0,0|1,0,0]=3 4549 B10R1.13 C=C1CCC(CC1)C(=O)O MCULE-9520777832 [0,1,0,1,0,0|1,0,1]=4 4550 B10R1.13 CC(=O)C1CCC(CC1)C MCULE-6102529388 [0,1,0,1,0,0|2,0,0]=4 4551 B10R1.13 CC(=O)C1CCC(CC1)N MCULE-1009720315 [0,1,0,1,0,0|2,0,0]=4 4552 B10R1.13 CC(=O)C1CCC(CC1)N MCULE-5617448654 [0,1,0,1,0,0|2,0,0]=4 4553 B10R1.13 CC(=O)C1CCC(CC1)O MCULE-8384212790 [0,1,0,1,0,0|2,0,0]=4 4554 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C MCULE-1016150505 [0,1,0,1,0,0|2,0,0]=4 4555 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N MCULE-6674769937 [0,1,0,1,0,0|2,0,0]=4 4556 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N MCULE-7289775544 [0,1,0,1,0,0|2,0,0]=4 4557 B10R1.13 CC1=CCC(CC1)C(=O)O MCULE-8997751425 [0,1,0,1,0,0|1,0,1]=4 4558 B10R1.13 CC1=CCC(CN1)C(=O)O MCULE-6736360947 [0,1,0,1,0,0|0,0,2]=4 4559 B10R1.13 CC1CC=C(CC1)C(=O)O MCULE-7341526311 [0,1,0,1,0,0|1,0,1]=4 4560 B10R1.13 CC1CCC(CC1)C(=O)Cl MCULE-4812590612 [0,1,0,1,0,0|2,0,0]=4 4561 B10R1.13 CC1CCC(CC1)C(=O)O MCULE-3225182334 [0,1,0,1,0,0|1,0,0]=3 4562 B10R1.13 CC1CCC(CN1)C(=O)N MCULE-7780455991 [0,1,0,1,0,0|1,0,0]=3 4563 B10R1.13 CC1CCC(CN1)C(=O)O MCULE-3840727873 [0,1,0,1,0,0|0,0,0]=2 4564 B10R1.13 CC1CCC(CN1)C(=O)O MCULE-5946890830 [0,1,0,1,0,0|0,0,0]=2 4565 B10R1.13 CC1CCC(CO1)C(=O)O MCULE-6526905782 [0,1,0,1,0,0|1,0,0]=3 4566 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-2912599846 [0,1,0,1,0,0|0,0,0]=2 4567 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-3297162881 [0,1,0,1,0,0|0,0,0]=2 4568 B10R1.13 CC1COC(CN1)C(=O)O MCULE-7809709557 [0,1,0,1,0,0|1,0,0]=3 4569 B10R1.13 CN1CCC(CC1)C(=O)O MCULE-1330176845 [0,1,0,1,0,0|2,0,0]=4 4570 B10R1.13 CN1CCC(CC1)C(=O)O MCULE-2860414660 [0,1,0,1,0,0|2,0,0]=4 4571 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O MCULE-8843664488 [0,1,0,1,0,0|0,0,0]=2 4572 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-2204464981 [0,1,0,1,0,0|0,0,0]=2 4573 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-2225073323 [0,1,0,1,0,0|0,0,0]=2 4574 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-3036379148 [0,1,0,1,0,0|0,0,0]=2 4575 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-9649426657 [0,1,0,1,0,0|0,0,0]=2 4576 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-8093925660 [0,1,0,1,0,0|1,0,0]=3 4577 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-9603514021 [0,1,0,1,0,0|1,0,0]=3 4578 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)Cl MCULE-2231388476 [0,1,0,1,0,0|2,0,0]=4 4579 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)N MCULE-9668889856 [0,1,0,1,0,0|2,0,0]=4 4580 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O MCULE-3272652270 [0,1,0,1,0,0|1,0,0]=3 4581 B10R1.13 C[C@H]1CC[C@@H](CN1)C(=O)O MCULE-6340569413 [0,1,0,1,0,0|0,0,0]=2 4582 B10R1.13 C[C@H]1CC[C@H](CC1)C(=O)O MCULE-7434442752 [0,1,0,1,0,0|1,0,0]=3 4583 B10R1.13 C[C@H]1CC[C@H](CN1)C(=O)O MCULE-3955685184 [0,1,0,1,0,0|0,0,0]=2 4584 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-4706739993 [0,1,0,1,0,0|1,0,0]=3 4585 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-9210189761 [0,1,0,1,0,0|1,0,0]=3 4586 B10R1.13 NC(=O)C1CCC(CC1)N MCULE-4469475065 [0,1,0,1,0,0|2,0,0]=4 4587 B10R1.13 NC(=O)C1CCC(CC1)N MCULE-4892039405 [0,1,0,1,0,0|2,0,0]=4 4588 B10R1.13 NC(=O)C1CCC(CC1)O MCULE-9699134683 [0,1,0,1,0,0|2,0,0]=4 4589 B10R1.13 NC(=O)C1CCC(CO1)N MCULE-1702911232 [0,1,0,1,0,0|2,0,0]=4 4590 B10R1.13 NC(=O)C1CCC(CO1)N MCULE-9609134356 [0,1,0,1,0,0|2,0,0]=4 4591 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-1123100792 [0,1,0,1,0,0|2,0,0]=4 4592 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-1890273222 [0,1,0,1,0,0|2,0,0]=4 4593 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-3122399272 [0,1,0,1,0,0|2,0,0]=4 4594 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-5583780093 [0,1,0,1,0,0|2,0,0]=4 4595 B10R1.13 NC(=O)[C@H]1CC[C@@H](CC1)O MCULE-6564995524 [0,1,0,1,0,0|2,0,0]=4 4596 B10R1.13 NC(=O)[C@H]1CC[C@H](CC1)N MCULE-1727204707 [0,1,0,1,0,0|2,0,0]=4 4597 B10R1.13 NC(=O)[C@H]1CC[C@H](CC1)N MCULE-4007102653 [0,1,0,1,0,0|2,0,0]=4 4598 B10R1.13 NC1CC=C(CC1)C(=O)O MCULE-8027933659 [0,1,0,1,0,0|1,0,1]=4 4599 B10R1.13 NC1CCC(CC1)C(=O)Cl MCULE-4909714198 [0,1,0,1,0,0|2,0,0]=4 4600 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-6722954971 [0,1,0,1,0,0|1,0,0]=3 4601 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-9273524734 [0,1,0,1,0,0|1,0,0]=3 4602 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-5282665037 [0,1,0,1,0,0|1,0,0]=3 4603 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-8647828626 [0,1,0,1,0,0|1,0,0]=3 4604 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-1388612667 [0,1,0,1,0,0|1,0,0]=3 4605 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-8724032546 [0,1,0,1,0,0|1,0,0]=3 4606 B10R1.13 O=C(Cl)C1CCC(CC1)O MCULE-9104583730 [0,1,0,1,0,0|2,0,0]=4 4607 B10R1.13 O=C(O)C1CCC(CC1)Br MCULE-4952970959 [0,1,0,1,0,0|1,0,0]=3 4608 B10R1.13 O=C(O)C1CCC(CC1)Cl MCULE-9596975674 [0,1,0,1,0,0|1,0,0]=3 4609 B10R1.13 O=C(O)C1CCC(CC1)F MCULE-8237318279 [0,1,0,1,0,0|1,0,0]=3 4610 B10R1.13 O=C(O)C1CCC(CC1)O MCULE-2480420127 [0,1,0,1,0,0|1,0,0]=3 4611 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-3204705068 [0,1,0,1,0,0|0,0,0]=2 4612 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-7178398033 [0,1,0,1,0,0|0,0,0]=2 4613 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1384355113 [0,1,0,1,0,0|0,0,0]=2 4614 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1678351091 [0,1,0,1,0,0|0,0,0]=2 4615 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-5287470680 [0,1,0,1,0,0|0,0,0]=2 4616 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-7907264464 [0,1,0,1,0,0|0,0,0]=2 4617 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-2425882122 [0,1,0,1,0,0|0,0,0]=2 4618 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3071319870 [0,1,0,1,0,0|0,0,0]=2 4619 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3130571634 [0,1,0,1,0,0|0,0,0]=2 4620 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-4156067811 [0,1,0,1,0,0|0,0,0]=2 4621 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-6185299507 [0,1,0,1,0,0|0,0,0]=2 4622 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-8875046289 [0,1,0,1,0,0|0,0,0]=2 4623 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)F MCULE-9036564869 [0,1,0,1,0,0|1,0,0]=3 4624 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O MCULE-6625595981 [0,1,0,1,0,0|1,0,0]=3 4625 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-2267551829 [0,1,0,1,0,0|0,0,0]=2 4626 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7339394632 [0,1,0,1,0,0|0,0,0]=2 4627 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7777420620 [0,1,0,1,0,0|0,0,0]=2 4628 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-9629486094 [0,1,0,1,0,0|0,0,0]=2 4629 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)F MCULE-1112147502 [0,1,0,1,0,0|1,0,0]=3 4630 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)O MCULE-5519058025 [0,1,0,1,0,0|1,0,0]=3 4631 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-3991583469 [0,1,0,1,0,0|0,0,0]=2 4632 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8329848691 [0,1,0,1,0,0|0,0,0]=2 4633 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8730600296 [0,1,0,1,0,0|0,0,0]=2 4634 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [0,1,0,1,0,0|1,0,1]=4 4635 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [0,1,0,1,0,0|1,0,1]=4 4636 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-4067834062 [0,1,0,1,0,0|0,0,1]=3 4637 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-8147757527 [0,1,0,1,0,0|0,0,1]=3 4638 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [0,1,0,1,0,0|1,0,1]=4 4639 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [0,1,0,1,0,0|1,0,1]=4 4640 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-4350301488 [0,1,0,1,0,0|0,0,1]=3 4641 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-6122427477 [0,1,0,1,0,0|0,0,1]=3 4642 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-7864506900 [0,1,0,1,0,0|0,0,1]=3 4643 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-8690683788 [0,1,0,1,0,0|0,0,1]=3 4644 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [0,1,0,1,0,0|1,0,1]=4 4645 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-2845724258 [0,1,0,1,0,0|0,0,1]=3 4646 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-4534690891 [0,1,0,1,0,0|0,0,1]=3 4647 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-5755683417 [0,1,0,1,0,0|0,0,1]=3 4648 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-6015971784 [0,1,0,1,0,0|0,0,1]=3 4649 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-1011618274 [0,1,0,1,0,0|1,0,1]=4 4650 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-9345081526 [0,1,0,1,0,0|1,0,1]=4 4651 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-1270509503 [0,1,0,1,0,0|1,0,1]=4 4652 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-5912128916 [0,1,0,1,0,0|1,0,1]=4 4653 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-6974754540 [0,1,0,1,0,0|1,0,1]=4 4654 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-9137341829 [0,1,0,1,0,0|1,0,1]=4 4655 B10R1.13 O=C1CN[C@H](CN1)C(=O)O MCULE-8928326150 [0,1,0,1,0,0|1,0,1]=4 4656 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1423621462 [0,1,0,1,0,0|0,0,0]=2 4657 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1814136074 [0,1,0,1,0,0|0,0,0]=2 4658 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-2019095795 [0,1,0,1,0,0|2,0,0]=4 4659 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-7012514700 [0,1,0,1,0,0|2,0,0]=4 4660 B10R1.58 O=C(O)C1CC(C(C1)Br)Br MCULE-6168529373 [0,1,0,1,0,0|2,0,0]=4 4661 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-3594620408 [0,1,0,1,0,0|1,0,1]=4 4662 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-7616817872 [0,1,0,1,0,0|1,0,1]=4 4663 B10R1.58 O=C1NC(CC1F)C(=O)O MCULE-5782471146 [0,1,0,1,0,0|1,0,1]=4 4664 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-5667846232 [0,1,0,1,0,0|1,0,1]=4 4665 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-8319847079 [0,1,0,1,0,0|1,0,1]=4 4666 B10R1.147 CC1CCC(CC1=O)(C)C MCULE-4890293189 [0,1,0,1,0,0|2,0,0]=4 4667 B10R1.205 CC(OCC1CC1)C(=O)O MCULE-4908101296 [0,1,0,1,0,0|1,0,0]=3 4668 B10R1.205 O=C(O)C(=O)NCC1CC1 MCULE-9840339413 [0,1,0,1,0,0|1,0,1]=4 4669 B10R1.349 CC(C)C1CC(C1)C(=O)O MCULE-3470675948 [0,1,0,1,0,0|1,0,0]=3 4670 B10R1.349 CC(C)N1CC(C1)C(=O)O MCULE-3197029604 [0,1,0,1,0,0|2,0,0]=4 4671 B10R1.349 CN(C)C1CC(C1)C(=O)O MCULE-8370975615 [0,1,0,1,0,0|2,0,0]=4 4672 B10R1.349 CN(C)[C@H]1C[C@@H](C1)C(=O)O MCULE-8405364693 [0,1,0,1,0,0|2,0,0]=4 4673 B10R1.349 CN(C)[C@H]1C[C@H](C1)C(=O)O MCULE-8397295633 [0,1,0,1,0,0|2,0,0]=4 4674 B10R1.349 O=C(O)C1CC(C1)C(F)F MCULE-1152884489 [0,1,0,1,0,0|2,0,0]=4 4675 B10R1.349 O=C(O)C1CC(N1)C(=O)O MCULE-2441047831 [0,1,0,1,0,0|1,0,1]=4 4676 B10R1.349 O=C(O)[C@H]1C[C@@H](C1)C(F)F MCULE-9825305752 [0,1,0,1,0,0|2,0,0]=4 4677 B10R1.359 CC1(CC(CO1)C(=O)O)C MCULE-2939144976 [0,1,0,1,0,0|2,0,0]=4 4678 B10R1.359 CC1(CCC(C1)C(=O)O)C MCULE-9978136872 [0,1,0,1,0,0|1,0,0]=3 4679 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5310172848 [0,1,0,1,0,0|0,0,0]=2 4680 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5921965282 [0,1,0,1,0,0|0,0,0]=2 4681 B10R1.359 CC1(CCC(O1)C(=O)O)C MCULE-6347581531 [0,1,0,1,0,0|1,0,0]=3 4682 B10R1.359 CC1(CNC(C1)C(=O)O)C MCULE-3559457457 [0,1,0,1,0,0|2,0,0]=4 4683 B10R1.359 CC1(CNC(C1)C(=O)O)C MCULE-4286050645 [0,1,0,1,0,0|2,0,0]=4 4684 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-2704032687 [0,1,0,1,0,0|2,0,0]=4 4685 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-3701263335 [0,1,0,1,0,0|2,0,0]=4 4686 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-5777695775 [0,1,0,1,0,0|2,0,0]=4 4687 B10R1.359 CC1(CN[C@@H](C1)C(=O)O)C MCULE-7930268339 [0,1,0,1,0,0|2,0,0]=4 4688 B10R1.359 CC1(CN[C@H](C1)C(=O)O)C MCULE-5601172836 [0,1,0,1,0,0|2,0,0]=4 4689 B10R1.359 CC1(CN[C@H](C1)C(=O)O)C MCULE-5795533452 [0,1,0,1,0,0|2,0,0]=4 4690 B10R1.359 CC1(CN[C@H](C1)C(=O)O)C MCULE-6871769907 [0,1,0,1,0,0|2,0,0]=4 4691 B10R1.359 CC1(COC(C1)C(=O)O)C MCULE-3465757314 [0,1,0,1,0,0|2,0,0]=4 4692 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-3628976485 [0,1,0,1,0,0|1,0,0]=3 4693 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-9763318604 [0,1,0,1,0,0|1,0,0]=3 4694 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-5428000366 [0,1,0,1,0,0|1,0,0]=3 4695 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-6914291473 [0,1,0,1,0,0|1,0,0]=3 4696 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-8499487712 [0,1,0,1,0,0|1,0,0]=3 4697 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-9591174443 [0,1,0,1,0,0|1,0,0]=3 4698 B10R1.359 CC1(N[C@H](CS1)C(=O)O)C MCULE-1864127233 [0,1,0,1,0,0|1,0,0]=3 4699 B10R1.359 CC1(OCC(O1)C(=O)O)C MCULE-8459041221 [0,1,0,1,0,0|2,0,0]=4 4700 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C MCULE-4620241254 [0,1,0,1,0,0|2,0,0]=4 4701 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C MCULE-7602075849 [0,1,0,1,0,0|2,0,0]=4 4702 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C MCULE-6422447541 [0,1,0,1,0,0|2,0,0]=4 4703 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C MCULE-7066406161 [0,1,0,1,0,0|2,0,0]=4 4704 B10R1.359 O=C(O)C1CCC(C1)(F)F MCULE-3866141496 [0,1,0,1,0,0|2,0,0]=4 4705 B10R1.359 O=C(O)C1CCC(C1)(F)F MCULE-9447411120 [0,1,0,1,0,0|2,0,0]=4 4706 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 MCULE-5768819085 [0,1,0,1,0,0|2,0,0]=4 4707 B10R1.359 O=C(O)[C@@H]1CCC(C1)(F)F MCULE-1982062527 [0,1,0,1,0,0|2,0,0]=4 4708 B10R1.359 O=C(O)[C@@H]1CCC(C1)(F)F MCULE-8436417104 [0,1,0,1,0,0|2,0,0]=4 4709 B10R1.359 O=C(O)[C@H]1CCC(C1)(F)F MCULE-1884661502 [0,1,0,1,0,0|2,0,0]=4 4710 B10R1.359 O=C(O)[C@H]1CCC(C1)(F)F MCULE-4373169739 [0,1,0,1,0,0|2,0,0]=4 4711 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O MCULE-7367162008 [0,1,0,1,0,0|1,0,0]=3 4712 B10R1.470 CC1(CC(CN1)O)C(=O)O MCULE-1962390815 [0,1,0,1,0,0|2,0,0]=4 4713 B10R1.470 CC1(CC(CN1)O)C(=O)O MCULE-3381499671 [0,1,0,1,0,0|2,0,0]=4 4714 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,1,0,1,0,0|1,0,1]=4 4715 B10R1.470 CC1(CCC(=O)N1)C(=O)O MCULE-6271364258 [0,1,0,1,0,0|1,0,1]=4 4716 B10R1.470 CC1(CCC(C1)N)C(=O)O MCULE-5009717504 [0,1,0,1,0,0|1,0,0]=3 4717 B10R1.470 CC1(CCC(C1)N)C(=O)O MCULE-6646895058 [0,1,0,1,0,0|1,0,0]=3 4718 B10R1.470 CC1CCC(C1)(C)C(=O)O MCULE-3638409630 [0,1,0,1,0,0|1,0,0]=3 4719 B10R1.470 CN1CCC(C1)(C)C(=O)O MCULE-3111826192 [0,1,0,1,0,0|2,0,0]=4 4720 B10R1.470 CN1CCC(C1)(F)C(=O)O MCULE-3877912842 [0,1,0,1,0,0|2,0,0]=4 4721 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-6399167225 [0,1,0,1,0,0|1,0,1]=4 4722 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-7144294782 [0,1,0,1,0,0|1,0,1]=4 4723 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6153592913 [0,1,0,1,0,0|1,0,1]=4 4724 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6971506580 [0,1,0,1,0,0|1,0,1]=4 4725 B10R1.470 NC1CCC(C1)(F)C(=O)O MCULE-1564321784 [0,1,0,1,0,0|1,0,0]=3 4726 B10R1.470 NC1CCC(C1)(F)C(=O)O MCULE-3542104690 [0,1,0,1,0,0|1,0,0]=3 4727 B10R1.7 CC1CCCCCCC1=O MCULE-5002473983 [0,1,0,1,0,0|2,0,0]=4 4728 B10R1.7 NC1CCCCCCC1O MCULE-9142911119 [0,1,0,1,0,0|1,0,1]=4 4729 B10R1.7 N[C@@H]1CCCCCC[C@@H]1O MCULE-1728493798 [0,1,0,1,0,0|1,0,1]=4 4730 B10R1.7 N[C@@H]1CCCCCC[C@H]1O MCULE-8702565765 [0,1,0,1,0,0|1,0,1]=4 4731 B10R1.7 N[C@H]1CCCCCC[C@@H]1O MCULE-4894585058 [0,1,0,1,0,0|1,0,1]=4 4732 B10R1.7 N[C@H]1CCCCCC[C@H]1O MCULE-3214389652 [0,1,0,1,0,0|1,0,1]=4 4733 B10R1.7 O=C1NCCCCCC1I MCULE-6621175147 [0,1,0,1,0,0|2,0,0]=4 4734 B10R1.14 C1(CCC(=O)N1)C(=O)OC MCULE-5897242243 [0,1,0,1,0,0|1,0,1]=4 4735 B10R1.14 COC(=O)C1CCC(=O)N1 MCULE-2849406517 [0,1,0,1,0,0|1,0,1]=4 4736 B10R1.14 COC(=O)C1CCC(=S)N1 MCULE-8993064502 [0,1,0,1,0,0|1,0,1]=4 4737 B10R1.14 COC(=O)C1CCC(C1)Br MCULE-4292905898 [0,1,0,1,0,0|2,0,0]=4 4738 B10R1.14 COC(=O)C1CCC(C1)N MCULE-2002050883 [0,1,0,1,0,0|2,0,0]=4 4739 B10R1.14 COC(=O)C1CCC(C1)N MCULE-6014010462 [0,1,0,1,0,0|2,0,0]=4 4740 B10R1.14 COC(=O)C1CCC(C1)O MCULE-3475456621 [0,1,0,1,0,0|2,0,0]=4 4741 B10R1.14 COC(=O)C1CCN(C1)C MCULE-5692618208 [0,1,0,1,0,0|2,0,0]=4 4742 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-6776274122 [0,1,0,1,0,0|1,0,1]=4 4743 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-8837580582 [0,1,0,1,0,0|1,0,1]=4 4744 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-5290595526 [0,1,0,1,0,0|2,0,0]=4 4745 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-5583492414 [0,1,0,1,0,0|2,0,0]=4 4746 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7887655347 [0,1,0,1,0,0|2,0,0]=4 4747 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8575060963 [0,1,0,1,0,0|2,0,0]=4 4748 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)O MCULE-2058582855 [0,1,0,1,0,0|2,0,0]=4 4749 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)O MCULE-5432347510 [0,1,0,1,0,0|2,0,0]=4 4750 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-1643472314 [0,1,0,1,0,0|2,0,0]=4 4751 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-1990922940 [0,1,0,1,0,0|2,0,0]=4 4752 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-6782857130 [0,1,0,1,0,0|2,0,0]=4 4753 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-9884963881 [0,1,0,1,0,0|2,0,0]=4 4754 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)O MCULE-1118474224 [0,1,0,1,0,0|2,0,0]=4 4755 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)O MCULE-9373995272 [0,1,0,1,0,0|2,0,0]=4 4756 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)C MCULE-2144317031 [0,1,0,1,0,0|2,0,0]=4 4757 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)C MCULE-9538905492 [0,1,0,1,0,0|2,0,0]=4 4758 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-7163955131 [0,1,0,1,0,0|1,0,1]=4 4759 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-8190805012 [0,1,0,1,0,0|1,0,1]=4 4760 B10R1.14 COC(=O)[C@H]1CCC(=S)N1 MCULE-1412233687 [0,1,0,1,0,0|1,0,1]=4 4761 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)Br MCULE-4639654853 [0,1,0,1,0,0|2,0,0]=4 4762 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)Br MCULE-7552610243 [0,1,0,1,0,0|2,0,0]=4 4763 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-3698760557 [0,1,0,1,0,0|2,0,0]=4 4764 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-6035569341 [0,1,0,1,0,0|2,0,0]=4 4765 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-7728824085 [0,1,0,1,0,0|2,0,0]=4 4766 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-9095267083 [0,1,0,1,0,0|2,0,0]=4 4767 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)O MCULE-5555455830 [0,1,0,1,0,0|2,0,0]=4 4768 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-1428316255 [0,1,0,1,0,0|2,0,0]=4 4769 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-1825834657 [0,1,0,1,0,0|2,0,0]=4 4770 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-2834462513 [0,1,0,1,0,0|2,0,0]=4 4771 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-5809473178 [0,1,0,1,0,0|2,0,0]=4 4772 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-6051273141 [0,1,0,1,0,0|2,0,0]=4 4773 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-6835025811 [0,1,0,1,0,0|2,0,0]=4 4774 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-5194030962 [0,1,0,1,0,0|2,0,0]=4 4775 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-9211450556 [0,1,0,1,0,0|2,0,0]=4 4776 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-9901379045 [0,1,0,1,0,0|2,0,0]=4 4777 B10R1.14 [C@H]1(CCC(=S)N1)C(=O)OC MCULE-6420555771 [0,1,0,1,0,0|1,0,1]=4 4778 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)Br MCULE-3396007386 [0,1,0,1,0,0|2,0,0]=4 4779 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)N MCULE-4947096311 [0,1,0,1,0,0|2,0,0]=4 4780 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)N MCULE-6857998793 [0,1,0,1,0,0|2,0,0]=4 4781 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)O MCULE-9908119773 [0,1,0,1,0,0|2,0,0]=4 4782 B10R1.15 C1(CCCCN1)C(=O)OC MCULE-3306037072 [0,1,0,1,0,0|0,0,0]=2 4783 B10R1.15 C1(CCCCN1)C(=O)OC MCULE-9288344897 [0,1,0,1,0,0|0,0,0]=2 4784 B10R1.15 C1(CCCNC1)C(=O)OC MCULE-4117287216 [0,1,0,1,0,0|2,0,0]=4 4785 B10R1.15 C1(CCCNC1)C(=O)OC MCULE-8091301795 [0,1,0,1,0,0|2,0,0]=4 4786 B10R1.15 C1(CNCCN1)C(=O)OC MCULE-2958013355 [0,1,0,1,0,0|1,0,0]=3 4787 B10R1.15 C1(CNCCN1)C(=O)OC MCULE-6072954554 [0,1,0,1,0,0|1,0,0]=3 4788 B10R1.15 C1(COCCN1)C(=O)OC MCULE-1359060783 [0,1,0,1,0,0|1,0,0]=3 4789 B10R1.15 C1(COCCN1)C(=O)OC MCULE-5136187934 [0,1,0,1,0,0|1,0,0]=3 4790 B10R1.15 C=CC(=O)C1CCCCC1 MCULE-2668727628 [0,1,0,1,0,0|2,0,0]=4 4791 B10R1.15 CC(=NO)C1CCCCC1 MCULE-1684283685 [0,1,0,1,0,0|2,0,0]=4 4792 B10R1.15 CC(CO)C1CCCCN1 MCULE-4944883554 [0,1,0,1,0,0|1,0,1]=4 4793 B10R1.15 CCC(=O)C1CCCCC1 MCULE-8203276385 [0,1,0,1,0,0|2,0,0]=4 4794 B10R1.15 CCC(=O)C1CCCCN1 MCULE-6703727171 [0,1,0,1,0,0|1,0,0]=3 4795 B10R1.15 CCC(=O)C1CCCCN1 MCULE-7018103553 [0,1,0,1,0,0|1,0,0]=3 4796 B10R1.15 CCC(O)C1CCCCN1 MCULE-7730134295 [0,1,0,1,0,0|1,0,1]=4 4797 B10R1.15 CC[C@@H](O)[C@@H]1CCCCN1 MCULE-5363275416 [0,1,0,1,0,0|1,0,1]=4 4798 B10R1.15 CNC(=O)C1CCCCC1 MCULE-4980742243 [0,1,0,1,0,0|2,0,0]=4 4799 B10R1.15 CNC(=O)C1CCCCN1 MCULE-2059398226 [0,1,0,1,0,0|1,0,0]=3 4800 B10R1.15 CNC(=O)C1CCCCN1 MCULE-6797335969 [0,1,0,1,0,0|1,0,0]=3 4801 B10R1.15 CNC(=O)C1COCCN1 MCULE-9896951123 [0,1,0,1,0,0|2,0,0]=4 4802 B10R1.15 CNC(=O)[C@@H]1CCCCN1 MCULE-3578222481 [0,1,0,1,0,0|1,0,0]=3 4803 B10R1.15 CNC(=O)[C@@H]1CCCCN1 MCULE-5767177119 [0,1,0,1,0,0|1,0,0]=3 4804 B10R1.15 CNC(=O)[C@H]1CCCCN1 MCULE-1484363402 [0,1,0,1,0,0|1,0,0]=3 4805 B10R1.15 CNC(=O)[C@H]1CCCCN1 MCULE-2898288746 [0,1,0,1,0,0|1,0,0]=3 4806 B10R1.15 CNC(=O)[C@H]1CCCCN1 MCULE-8199763754 [0,1,0,1,0,0|1,0,0]=3 4807 B10R1.15 COC(=O)C1=CCCCC1 MCULE-3153400458 [0,1,0,1,0,0|1,0,1]=4 4808 B10R1.15 COC(=O)C1CC=CCN1 MCULE-5717808763 [0,1,0,1,0,0|0,0,2]=4 4809 B10R1.15 COC(=O)C1CCCCC1 MCULE-6850082589 [0,1,0,1,0,0|1,0,0]=3 4810 B10R1.15 COC(=O)C1CCCCN1 MCULE-1345527122 [0,1,0,1,0,0|0,0,0]=2 4811 B10R1.15 COC(=O)C1CCCCN1 MCULE-3343413800 [0,1,0,1,0,0|0,0,0]=2 4812 B10R1.15 COC(=O)C1CCCCO1 MCULE-4699637806 [0,1,0,1,0,0|1,0,0]=3 4813 B10R1.15 COC(=O)C1CCCCS1 MCULE-5621167539 [0,1,0,1,0,0|1,0,0]=3 4814 B10R1.15 COC(=O)C1CCCNC1 MCULE-5215588899 [0,1,0,1,0,0|2,0,0]=4 4815 B10R1.15 COC(=O)C1CCCNC1 MCULE-8977979820 [0,1,0,1,0,0|2,0,0]=4 4816 B10R1.15 COC(=O)C1CCCNN1 MCULE-3033001919 [0,1,0,1,0,0|1,0,0]=3 4817 B10R1.15 COC(=O)C1CCCNN1 MCULE-3440886963 [0,1,0,1,0,0|1,0,0]=3 4818 B10R1.15 COC(=O)C1CCCOC1 MCULE-8852064521 [0,1,0,1,0,0|2,0,0]=4 4819 B10R1.15 COC(=O)C1CCNCC1 MCULE-5613020223 [0,1,0,1,0,0|2,0,0]=4 4820 B10R1.15 COC(=O)C1CCNCC1 MCULE-9635570834 [0,1,0,1,0,0|2,0,0]=4 4821 B10R1.15 COC(=O)C1CCOCC1 MCULE-9277091866 [0,1,0,1,0,0|2,0,0]=4 4822 B10R1.15 COC(=O)C1CCSCC1 MCULE-2533530421 [0,1,0,1,0,0|2,0,0]=4 4823 B10R1.15 COC(=O)C1CNCCN1 MCULE-5461430924 [0,1,0,1,0,0|1,0,0]=3 4824 B10R1.15 COC(=O)C1CNCCN1 MCULE-5985522017 [0,1,0,1,0,0|1,0,0]=3 4825 B10R1.15 COC(=O)C1CNCCO1 MCULE-2698329193 [0,1,0,1,0,0|2,0,0]=4 4826 B10R1.15 COC(=O)C1CNCCO1 MCULE-4908930366 [0,1,0,1,0,0|2,0,0]=4 4827 B10R1.15 COC(=O)C1CNCCO1 MCULE-5645711588 [0,1,0,1,0,0|2,0,0]=4 4828 B10R1.15 COC(=O)C1CNCCO1 MCULE-6370167621 [0,1,0,1,0,0|2,0,0]=4 4829 B10R1.15 COC(=O)C1CNCCO1 MCULE-8941359764 [0,1,0,1,0,0|2,0,0]=4 4830 B10R1.15 COC(=O)C1COCCN1 MCULE-3550093500 [0,1,0,1,0,0|1,0,0]=3 4831 B10R1.15 COC(=O)C1COCCN1 MCULE-6551273056 [0,1,0,1,0,0|1,0,0]=3 4832 B10R1.15 COC(=O)C1COCCN1 MCULE-6840431140 [0,1,0,1,0,0|1,0,0]=3 4833 B10R1.15 COC(=O)C1CSCCN1 MCULE-3631055578 [0,1,0,1,0,0|1,0,0]=3 4834 B10R1.15 COC(=O)C1CSCCN1 MCULE-7757706847 [0,1,0,1,0,0|1,0,0]=3 4835 B10R1.15 COC(=O)C1SCCCS1 MCULE-8385963909 [0,1,0,1,0,0|2,0,0]=4 4836 B10R1.15 COC(=O)N1CCCCC1 MCULE-4843476028 [0,1,0,1,0,0|2,0,0]=4 4837 B10R1.15 COC(=O)N1CCCCC1 MCULE-8096578349 [0,1,0,1,0,0|2,0,0]=4 4838 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-4659733955 [0,1,0,1,0,0|0,0,0]=2 4839 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-6675153946 [0,1,0,1,0,0|0,0,0]=2 4840 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-7164905117 [0,1,0,1,0,0|0,0,0]=2 4841 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-8391987811 [0,1,0,1,0,0|0,0,0]=2 4842 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-1357072117 [0,1,0,1,0,0|2,0,0]=4 4843 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-6685948915 [0,1,0,1,0,0|2,0,0]=4 4844 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-7943195603 [0,1,0,1,0,0|2,0,0]=4 4845 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-8245028670 [0,1,0,1,0,0|2,0,0]=4 4846 B10R1.15 COC(=O)[C@@H]1CCCNN1 MCULE-4492703729 [0,1,0,1,0,0|1,0,0]=3 4847 B10R1.15 COC(=O)[C@@H]1CCCNN1 MCULE-4789174904 [0,1,0,1,0,0|1,0,0]=3 4848 B10R1.15 COC(=O)[C@@H]1CCCNN1 MCULE-6004868841 [0,1,0,1,0,0|1,0,0]=3 4849 B10R1.15 COC(=O)[C@@H]1CCCNN1 MCULE-8447894362 [0,1,0,1,0,0|1,0,0]=3 4850 B10R1.15 COC(=O)[C@@H]1CCCNN1 MCULE-8973989363 [0,1,0,1,0,0|1,0,0]=3 4851 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-5551273180 [0,1,0,1,0,0|1,0,0]=3 4852 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-5976690411 [0,1,0,1,0,0|1,0,0]=3 4853 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-7451026930 [0,1,0,1,0,0|1,0,0]=3 4854 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-8752855910 [0,1,0,1,0,0|1,0,0]=3 4855 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-1095109510 [0,1,0,1,0,0|2,0,0]=4 4856 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-4732803083 [0,1,0,1,0,0|2,0,0]=4 4857 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-5642785598 [0,1,0,1,0,0|2,0,0]=4 4858 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-5749221307 [0,1,0,1,0,0|2,0,0]=4 4859 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-5162429786 [0,1,0,1,0,0|1,0,0]=3 4860 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-7239532241 [0,1,0,1,0,0|1,0,0]=3 4861 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-7684323850 [0,1,0,1,0,0|1,0,0]=3 4862 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-8072335300 [0,1,0,1,0,0|1,0,0]=3 4863 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-8375175370 [0,1,0,1,0,0|1,0,0]=3 4864 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-9876388752 [0,1,0,1,0,0|1,0,0]=3 4865 B10R1.15 COC(=O)[C@@H]1CSCCN1 MCULE-2644672819 [0,1,0,1,0,0|1,0,0]=3 4866 B10R1.15 COC(=O)[C@@H]1CSCCN1 MCULE-8721567121 [0,1,0,1,0,0|1,0,0]=3 4867 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-5042289968 [0,1,0,1,0,0|0,0,0]=2 4868 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-5552610931 [0,1,0,1,0,0|0,0,0]=2 4869 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-6096933206 [0,1,0,1,0,0|0,0,0]=2 4870 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-6748268572 [0,1,0,1,0,0|0,0,0]=2 4871 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-1258591863 [0,1,0,1,0,0|2,0,0]=4 4872 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-2913297882 [0,1,0,1,0,0|2,0,0]=4 4873 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-7994934831 [0,1,0,1,0,0|2,0,0]=4 4874 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-9664872744 [0,1,0,1,0,0|2,0,0]=4 4875 B10R1.15 COC(=O)[C@H]1CCCOC1 MCULE-3895837022 [0,1,0,1,0,0|2,0,0]=4 4876 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-1502399125 [0,1,0,1,0,0|1,0,0]=3 4877 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-4305901126 [0,1,0,1,0,0|1,0,0]=3 4878 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-4581702554 [0,1,0,1,0,0|1,0,0]=3 4879 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-5249386287 [0,1,0,1,0,0|1,0,0]=3 4880 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-1713285364 [0,1,0,1,0,0|2,0,0]=4 4881 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-2717742188 [0,1,0,1,0,0|2,0,0]=4 4882 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-3191998281 [0,1,0,1,0,0|2,0,0]=4 4883 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-4522663718 [0,1,0,1,0,0|2,0,0]=4 4884 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-2095296947 [0,1,0,1,0,0|1,0,0]=3 4885 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-4051082225 [0,1,0,1,0,0|1,0,0]=3 4886 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-5485853687 [0,1,0,1,0,0|1,0,0]=3 4887 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-8734141342 [0,1,0,1,0,0|1,0,0]=3 4888 B10R1.15 COC(=O)[C@H]1CSCCN1 MCULE-6859763829 [0,1,0,1,0,0|1,0,0]=3 4889 B10R1.15 N/C(=N/O)/C1CCCCC1 MCULE-7400174450 [0,1,0,1,0,0|2,0,0]=4 4890 B10R1.15 NCC(=O)C1CCCCC1 MCULE-5312619543 [0,1,0,1,0,0|2,0,0]=4 4891 B10R1.15 NCC(=O)C1CCCCC1 MCULE-8215004471 [0,1,0,1,0,0|2,0,0]=4 4892 B10R1.15 NNC(=O)C1CCCCC1 MCULE-3486870731 [0,1,0,1,0,0|2,0,0]=4 4893 B10R1.15 NNC(=O)C1CCCCO1 MCULE-7036120684 [0,1,0,1,0,0|2,0,0]=4 4894 B10R1.15 O/N=C(\Cl)/C1CCCCC1 MCULE-3114876572 [0,1,0,1,0,0|2,0,0]=4 4895 B10R1.15 O=C(CBr)C1CCCCC1 MCULE-1828005520 [0,1,0,1,0,0|2,0,0]=4 4896 B10R1.15 O=C(CCl)C1CCCCC1 MCULE-1798641564 [0,1,0,1,0,0|2,0,0]=4 4897 B10R1.15 O=C(CCl)C1CCCCO1 MCULE-3635601081 [0,1,0,1,0,0|2,0,0]=4 4898 B10R1.15 O=C(CO)C1CCCCC1 MCULE-7711081081 [0,1,0,1,0,0|1,0,0]=3 4899 B10R1.15 O=C(CO)N1CCCCC1 MCULE-2972774035 [0,1,0,1,0,0|2,0,0]=4 4900 B10R1.15 O=C(NO)C1CCCCC1 MCULE-4311817351 [0,1,0,1,0,0|1,0,0]=3 4901 B10R1.15 O=C(NO)C1CCNCC1 MCULE-3667251310 [0,1,0,1,0,0|2,0,0]=4 4902 B10R1.15 OCC(O)C1CCCCN1 MCULE-6655190494 [0,1,0,1,0,0|0,0,2]=4 4903 B10R1.19 CCC1CCCCCC1=O MCULE-8032779658 [0,1,0,1,0,0|2,0,0]=4 4904 B10R1.19 COC1CCCCCC1N MCULE-5223841003 [0,1,0,1,0,0|1,0,1]=4 4905 B10R1.19 N#CC1CCCCCC1=O MCULE-1907886746 [0,1,0,1,0,0|1,0,1]=4 4906 B10R1.19 NC1CCCCCC1CO MCULE-2803910179 [0,1,0,1,0,0|1,0,1]=4 4907 B10R1.19 NCC1CCCCNC1=O MCULE-1946763373 [0,1,0,1,0,0|1,0,0]=3 4908 B10R1.19 NCC1CCCCNC1=O MCULE-4514221590 [0,1,0,1,0,0|1,0,0]=3 4909 B10R1.19 O=C1NCCCCC1CBr MCULE-4441145418 [0,1,0,1,0,0|2,0,0]=4 4910 B10R1.19 O=C1NCCCCC1CO MCULE-8501668247 [0,1,0,1,0,0|2,0,0]=4 4911 B10R1.29 CCCCC1CCCC1=O MCULE-7853231747 [0,1,0,1,0,0|2,0,0]=4 4912 B10R1.29 NCCCC1CCOC1=O MCULE-4266690176 [0,1,0,1,0,0|2,0,0]=4 4913 B10R1.29 NCCCC1CCOC1=O MCULE-9834041839 [0,1,0,1,0,0|2,0,0]=4 4914 B10R1.99 COC(=O)C1CC1CCO MCULE-9852071077 [0,1,0,1,0,0|2,0,0]=4 4915 B10R1.99 COC(=O)[C@H]1C[C@@H]1CCO MCULE-2333161396 [0,1,0,1,0,0|2,0,0]=4 4916 B10R1.99 COC(=O)[C@H]1C[C@@H]1CCO MCULE-2823946888 [0,1,0,1,0,0|2,0,0]=4 4917 B10R1.119 CC1CCC(C(C1=O)C)C MCULE-4588148046 [0,1,0,1,0,0|2,0,0]=4 4918 B10R1.159 C=CC1CC1(N)C(=O)OC MCULE-1931253124 [0,1,0,1,0,0|0,0,2]=4 4919 B10R1.159 C=CC1CC1(N)C(=O)OC MCULE-2304764422 [0,1,0,1,0,0|0,0,2]=4 4920 B10R1.159 C=C[C@@H]1C[C@@]1(N)C(=O)OC MCULE-2530802578 [0,1,0,1,0,0|0,0,2]=4 4921 B10R1.159 C=C[C@@H]1C[C@]1(N)C(=O)OC MCULE-3335452130 [0,1,0,1,0,0|0,0,2]=4 4922 B10R1.159 C=C[C@@H]1C[C@]1(N)C(=O)OC MCULE-9644253631 [0,1,0,1,0,0|0,0,2]=4 4923 B10R1.159 C=C[C@@H]1C[C@]1(N)C(=O)OC MCULE-9815536324 [0,1,0,1,0,0|0,0,2]=4 4924 B10R1.159 CCC1CC1(N)C(=O)OC MCULE-7541504397 [0,1,0,1,0,0|0,0,0]=2 4925 B10R1.169 CNC1CC(C1)C(=O)OC MCULE-4263935334 [0,1,0,1,0,0|2,0,0]=4 4926 B10R1.169 CNC1CC(C1)C(=O)OC MCULE-9111688564 [0,1,0,1,0,0|2,0,0]=4 4927 B10R1.169 COC(=O)C1CC(C1)CBr MCULE-7054702131 [0,1,0,1,0,0|2,0,0]=4 4928 B10R1.169 COC(=O)C1CC(C1)CI MCULE-1914585898 [0,1,0,1,0,0|2,0,0]=4 4929 B10R1.169 COC(=O)C1CC(C1)CN MCULE-1919897644 [0,1,0,1,0,0|2,0,0]=4 4930 B10R1.169 COC(=O)C1CC(C1)CN MCULE-5061373944 [0,1,0,1,0,0|2,0,0]=4 4931 B10R1.169 COC(=O)C1CC(C1)CO MCULE-3788640554 [0,1,0,1,0,0|2,0,0]=4 4932 B10R1.169 COC(=O)[C@H]1C[C@@H](C1)CN MCULE-1149101018 [0,1,0,1,0,0|2,0,0]=4 4933 B10R1.169 COC(=O)[C@H]1C[C@@H](C1)CN MCULE-4577110582 [0,1,0,1,0,0|2,0,0]=4 4934 B10R1.169 COC(=O)[C@H]1C[C@@H](C1)CO MCULE-5568287829 [0,1,0,1,0,0|2,0,0]=4 4935 B10R1.169 COC(=O)[C@H]1C[C@H](C1)CN MCULE-1252506608 [0,1,0,1,0,0|2,0,0]=4 4936 B10R1.169 COC(=O)[C@H]1C[C@H](C1)CN MCULE-4899431685 [0,1,0,1,0,0|2,0,0]=4 4937 B10R1.169 COC(=O)[C@H]1C[C@H](C1)CO MCULE-1777819570 [0,1,0,1,0,0|2,0,0]=4 4938 B10R1.182 COC(=O)C(N)C1CCC1 MCULE-3063876554 [0,1,0,1,0,0|0,0,0]=2 4939 B10R1.182 COC(=O)C(N)C1CCC1 MCULE-3740715014 [0,1,0,1,0,0|0,0,0]=2 4940 B10R1.182 COC(=O)C(N)C1COC1 MCULE-4838271134 [0,1,0,1,0,0|1,0,0]=3 4941 B10R1.182 COC(=O)C(N)C1COC1 MCULE-6581486330 [0,1,0,1,0,0|1,0,0]=3 4942 B10R1.182 COC(=O)C(O)C1CCC1 MCULE-3016777020 [0,1,0,1,0,0|1,0,0]=3 4943 B10R1.182 COC(=O)[C@@H](N)C1CCC1 MCULE-2319437388 [0,1,0,1,0,0|0,0,0]=2 4944 B10R1.182 COC(=O)[C@@H](N)C1CCC1 MCULE-4764567509 [0,1,0,1,0,0|0,0,0]=2 4945 B10R1.182 COC(=O)[C@@H](N)C1CCC1 MCULE-8996478840 [0,1,0,1,0,0|0,0,0]=2 4946 B10R1.182 COC(=O)[C@@H](N)C1CCC1 MCULE-9749004524 [0,1,0,1,0,0|0,0,0]=2 4947 B10R1.182 COC(=O)[C@@H](N)C1COC1 MCULE-2357062048 [0,1,0,1,0,0|1,0,0]=3 4948 B10R1.182 COC(=O)[C@@H](N)C1COC1 MCULE-9469302989 [0,1,0,1,0,0|1,0,0]=3 4949 B10R1.182 COC(=O)[C@H](N)C1CCC1 MCULE-3771166263 [0,1,0,1,0,0|0,0,0]=2 4950 B10R1.182 COC(=O)[C@H](N)C1CCC1 MCULE-4986645692 [0,1,0,1,0,0|0,0,0]=2 4951 B10R1.182 COC(=O)[C@H](N)C1CCC1 MCULE-6414521728 [0,1,0,1,0,0|0,0,0]=2 4952 B10R1.182 COC(=O)[C@H](N)C1CCC1 MCULE-8525319101 [0,1,0,1,0,0|0,0,0]=2 4953 B10R1.182 COC(=O)[C@H](N)C1COC1 MCULE-5371642768 [0,1,0,1,0,0|1,0,0]=3 4954 B10R1.184 CNC(=O)C(N)CC1CC1 MCULE-7301379295 [0,1,0,1,0,0|1,0,0]=3 4955 B10R1.184 CNC(=O)C(N)CC1CC1 MCULE-9876672828 [0,1,0,1,0,0|1,0,0]=3 4956 B10R1.184 CNC(=O)[C@@H](N)CC1CC1 MCULE-4490150127 [0,1,0,1,0,0|1,0,0]=3 4957 B10R1.184 CNC(=O)[C@@H](N)CC1CC1 MCULE-8274120817 [0,1,0,1,0,0|1,0,0]=3 4958 B10R1.184 COC(=O)C(C)NC1CC1 MCULE-5747316126 [0,1,0,1,0,0|2,0,0]=4 4959 B10R1.184 COC(=O)C(N)CC1CC1 MCULE-3169988762 [0,1,0,1,0,0|0,0,0]=2 4960 B10R1.184 COC(=O)C(N)CC1CC1 MCULE-7779770946 [0,1,0,1,0,0|0,0,0]=2 4961 B10R1.184 COC(=O)C(O)CC1CC1 MCULE-1532091194 [0,1,0,1,0,0|1,0,0]=3 4962 B10R1.184 COC(=O)[C@@H](N)CC1CC1 MCULE-2096128035 [0,1,0,1,0,0|0,0,0]=2 4963 B10R1.184 COC(=O)[C@@H](N)CC1CC1 MCULE-2322642333 [0,1,0,1,0,0|0,0,0]=2 4964 B10R1.184 COC(=O)[C@@H](N)CC1CC1 MCULE-3634059799 [0,1,0,1,0,0|0,0,0]=2 4965 B10R1.184 COC(=O)[C@@H](N)CC1CC1 MCULE-6886281095 [0,1,0,1,0,0|0,0,0]=2 4966 B10R1.184 COC(=O)[C@@H](O)CC1CC1 MCULE-1126735771 [0,1,0,1,0,0|1,0,0]=3 4967 B10R1.184 COC(=O)[C@@H](O)CC1CC1 MCULE-3788767012 [0,1,0,1,0,0|1,0,0]=3 4968 B10R1.184 COC(=O)[C@H](N)CC1CC1 MCULE-4716605311 [0,1,0,1,0,0|0,0,0]=2 4969 B10R1.184 COC(=O)[C@H](O)CC1CC1 MCULE-2915367459 [0,1,0,1,0,0|1,0,0]=3 4970 B10R1.184 COC(=O)[C@H](O)CC1CC1 MCULE-6485875061 [0,1,0,1,0,0|1,0,0]=3 4971 B10R1.230 C#C[C@@]1(CCCC[C@@H]1N)O MCULE-2980219862 [0,1,0,1,0,0|1,0,1]=4 4972 B10R1.411 CC1(CCCC1)C(=O)CBr MCULE-6581201583 [0,1,0,1,0,0|2,0,0]=4 4973 B10R1.411 CC1(CCCC1)C(=O)CN MCULE-1948371564 [0,1,0,1,0,0|2,0,0]=4 4974 B10R1.411 CC1(CCCC1)C(=O)CN MCULE-2639621336 [0,1,0,1,0,0|2,0,0]=4 4975 B10R1.411 CNC(=O)C1(CCCC1)N MCULE-2447147105 [0,1,0,1,0,0|1,0,0]=3 4976 B10R1.411 CNC(=O)C1(CCCC1)N MCULE-7652154694 [0,1,0,1,0,0|1,0,0]=3 4977 B10R1.411 COC(=O)C1(CCCC1)Br MCULE-1802250593 [0,1,0,1,0,0|1,0,0]=3 4978 B10R1.411 COC(=O)C1(CCCC1)C MCULE-4994351302 [0,1,0,1,0,0|1,0,0]=3 4979 B10R1.411 COC(=O)C1(CCCC1)N MCULE-3993384521 [0,1,0,1,0,0|0,0,0]=2 4980 B10R1.411 COC(=O)C1(CCCC1)N MCULE-8708334020 [0,1,0,1,0,0|0,0,0]=2 4981 B10R1.411 COC(=O)C1(CCCC1)O MCULE-9522544954 [0,1,0,1,0,0|1,0,0]=3 4982 B10R1.411 COC(=O)C1(CCCN1)C MCULE-1235833333 [0,1,0,1,0,0|2,0,0]=4 4983 B10R1.411 COC(=O)C1(CCCN1)C MCULE-1917107448 [0,1,0,1,0,0|2,0,0]=4 4984 B10R1.411 COC(=O)C1(CCCN1)C MCULE-4824909317 [0,1,0,1,0,0|2,0,0]=4 4985 B10R1.411 COC(=O)C1(CCCN1)C MCULE-5407267062 [0,1,0,1,0,0|2,0,0]=4 4986 B10R1.411 COC(=O)C1(CCCO1)C MCULE-4521868101 [0,1,0,1,0,0|2,0,0]=4 4987 B10R1.411 COC(=O)C1(CCNC1)C MCULE-4105754219 [0,1,0,1,0,0|2,0,0]=4 4988 B10R1.411 COC(=O)C1(CCNC1)C MCULE-4306298231 [0,1,0,1,0,0|2,0,0]=4 4989 B10R1.411 COC(=O)C1(CCNC1)F MCULE-2229999079 [0,1,0,1,0,0|2,0,0]=4 4990 B10R1.411 COC(=O)C1(CCNC1)F MCULE-8737768541 [0,1,0,1,0,0|2,0,0]=4 4991 B10R1.411 COC(=O)C1(CCNC1)O MCULE-7160148932 [0,1,0,1,0,0|2,0,0]=4 4992 B10R1.411 COC(=O)C1(CCNC1)O MCULE-7492896118 [0,1,0,1,0,0|2,0,0]=4 4993 B10R1.411 COC(=O)C1(CCOC1)Br MCULE-4656799312 [0,1,0,1,0,0|2,0,0]=4 4994 B10R1.411 COC(=O)C1(CCOC1)C MCULE-7034406255 [0,1,0,1,0,0|2,0,0]=4 4995 B10R1.411 COC(=O)C1(CCOC1)N MCULE-4987068291 [0,1,0,1,0,0|1,0,0]=3 4996 B10R1.411 COC(=O)C1(CCOC1)N MCULE-5008801545 [0,1,0,1,0,0|1,0,0]=3 4997 B10R1.411 COC(=O)C1(CCOC1)O MCULE-7161317009 [0,1,0,1,0,0|2,0,0]=4 4998 B10R1.411 COC(=O)C1(CCSC1)N MCULE-8182082021 [0,1,0,1,0,0|1,0,0]=3 4999 B10R1.411 COC(=O)C1(CCSC1)O MCULE-5872955354 [0,1,0,1,0,0|2,0,0]=4 5000 B10R1.411 COC(=O)[C@@]1(CCCN1)C MCULE-1803197717 [0,1,0,1,0,0|2,0,0]=4 5001 B10R1.411 COC(=O)[C@@]1(CCCN1)C MCULE-1860856931 [0,1,0,1,0,0|2,0,0]=4 5002 B10R1.411 COC(=O)[C@@]1(CCCN1)C MCULE-4956112061 [0,1,0,1,0,0|2,0,0]=4 5003 B10R1.411 COC(=O)[C@@]1(CCCN1)C MCULE-7224480255 [0,1,0,1,0,0|2,0,0]=4 5004 B10R1.411 COC(=O)[C@@]1(CCCO1)C MCULE-2155246886 [0,1,0,1,0,0|2,0,0]=4 5005 B10R1.411 COC(=O)[C@@]1(CCNC1)O MCULE-7062603831 [0,1,0,1,0,0|2,0,0]=4 5006 B10R1.411 COC(=O)[C@@]1(CCNC1)O MCULE-8313559262 [0,1,0,1,0,0|2,0,0]=4 5007 B10R1.411 COC(=O)[C@@]1(CCOC1)N MCULE-4369170451 [0,1,0,1,0,0|1,0,0]=3 5008 B10R1.411 COC(=O)[C@@]1(CCOC1)N MCULE-8824303864 [0,1,0,1,0,0|1,0,0]=3 5009 B10R1.411 COC(=O)[C@]1(CCCN1)C MCULE-3726141389 [0,1,0,1,0,0|2,0,0]=4 5010 B10R1.411 COC(=O)[C@]1(CCCN1)C MCULE-4552843126 [0,1,0,1,0,0|2,0,0]=4 5011 B10R1.411 COC(=O)[C@]1(CCCN1)C MCULE-5808087302 [0,1,0,1,0,0|2,0,0]=4 5012 B10R1.411 COC(=O)[C@]1(CCCN1)C MCULE-8456176728 [0,1,0,1,0,0|2,0,0]=4 5013 B10R1.411 COC(=O)[C@]1(CCOC1)C MCULE-3065794713 [0,1,0,1,0,0|2,0,0]=4 5014 B10R1.25 CCC1CCC(CC1=O)C MCULE-6201444288 [0,1,0,1,0,0|2,0,0]=4 5015 B10R1.31 C1(NC(CS1)C(=O)O)CC MCULE-6124427567 [0,1,0,1,0,0|0,0,0]=2 5016 B10R1.31 CCC1=NOC(C1)C(=O)O MCULE-6950175956 [0,1,0,1,0,0|0,0,2]=4 5017 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9089135115 [0,1,0,1,0,0|0,0,0]=2 5018 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9951781675 [0,1,0,1,0,0|0,0,0]=2 5019 B10R1.31 CCC1NC(CS1)C(=O)O MCULE-2037916598 [0,1,0,1,0,0|0,0,0]=2 5020 B10R1.31 CCN1CCC(C1)C(=O)O MCULE-6987605321 [0,1,0,1,0,0|1,0,0]=3 5021 B10R1.31 COC1CCC(C1)C(=O)O MCULE-5189432372 [0,1,0,1,0,0|1,0,0]=3 5022 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O MCULE-2339543928 [0,1,0,1,0,0|1,0,0]=3 5023 B10R1.31 CO[C@H]1CC[C@@H](C1)C(=O)O MCULE-8255434197 [0,1,0,1,0,0|1,0,0]=3 5024 B10R1.31 CO[C@H]1CC[C@H](C1)C(=O)O MCULE-3942607370 [0,1,0,1,0,0|1,0,0]=3 5025 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O MCULE-2951589630 [0,1,0,1,0,0|1,0,0]=3 5026 B10R1.31 NC[C@@H]1CN[C@@H](C1)C(=O)O MCULE-2543185174 [0,1,0,1,0,0|1,0,0]=3 5027 B10R1.31 NC[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5699643655 [0,1,0,1,0,0|1,0,0]=3 5028 B10R1.38 CC1(CCCCC1CN)O MCULE-2446688175 [0,1,0,1,0,0|1,0,1]=4 5029 B10R1.38 CC1(CCCCC1CN)O MCULE-7077538912 [0,1,0,1,0,0|1,0,1]=4 5030 B10R1.38 NCC1CCCCS1(=O)=O MCULE-6226155734 [0,1,0,1,0,0|1,0,1]=4 5031 B10R1.38 NCC1CCCCS1(=O)=O MCULE-7779455256 [0,1,0,1,0,0|1,0,1]=4 5032 B10R1.194 CC1C(CCN1C)C(=O)O MCULE-3080880087 [0,1,0,1,0,0|2,0,0]=4 5033 B10R1.194 CC1C(CCN1C)C(=O)O MCULE-8463571511 [0,1,0,1,0,0|2,0,0]=4 5034 B10R1.194 CC1CCC(N1C)C(=O)O MCULE-1631473352 [0,1,0,1,0,0|0,0,0]=2 5035 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-1836057812 [0,1,0,1,0,0|1,0,1]=4 5036 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-7449426037 [0,1,0,1,0,0|1,0,1]=4 5037 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-5515047051 [0,1,0,1,0,0|1,0,1]=4 5038 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-6485454128 [0,1,0,1,0,0|1,0,1]=4 5039 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-7960298498 [0,1,0,1,0,0|1,0,1]=4 5040 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-9649189424 [0,1,0,1,0,0|1,0,1]=4 5041 B10R1.194 CN1CCC(C1=O)C(=O)O MCULE-9291039298 [0,1,0,1,0,0|2,0,0]=4 5042 B10R1.194 C[C@@H]1CC[C@H](N1C)C(=O)O MCULE-5064787674 [0,1,0,1,0,0|0,0,0]=2 5043 B10R1.194 C[C@@H]1CC[C@H](N1C)C(=O)O MCULE-5375480697 [0,1,0,1,0,0|0,0,0]=2 5044 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O MCULE-1037781010 [0,1,0,1,0,0|2,0,0]=4 5045 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O MCULE-5608694177 [0,1,0,1,0,0|2,0,0]=4 5046 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-2143702379 [0,1,0,1,0,0|0,0,0]=2 5047 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-3730566868 [0,1,0,1,0,0|0,0,0]=2 5048 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-7974927719 [0,1,0,1,0,0|0,0,0]=2 5049 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-9806319171 [0,1,0,1,0,0|0,0,0]=2 5050 B10R1.219 CC(=O)C(C#N)C1CCC1 MCULE-8298180006 [0,1,0,1,0,0|1,0,1]=4 5051 B10R1.219 CNC(C(=O)O)C1CCC1 MCULE-1036621151 [0,1,0,1,0,0|0,0,0]=2 5052 B10R1.219 CNC(C(=O)O)C1CCC1 MCULE-2626477980 [0,1,0,1,0,0|0,0,0]=2 5053 B10R1.219 COC(C(=O)O)C1CCC1 MCULE-4130966763 [0,1,0,1,0,0|1,0,0]=3 5054 B10R1.219 NCC(C(=O)O)C1CCC1 MCULE-2140507835 [0,1,0,1,0,0|0,0,0]=2 5055 B10R1.219 NCC(C(=O)O)C1CCC1 MCULE-4447331997 [0,1,0,1,0,0|0,0,0]=2 5056 B10R1.348 CC(=O)C1CCCCCC1 MCULE-9324503120 [0,1,0,1,0,0|2,0,0]=4 5057 B10R1.348 NC(=O)C1CCCCCC1 MCULE-2005648941 [0,1,0,1,0,0|2,0,0]=4 5058 B10R1.348 NC(=O)C1CCCCNC1 MCULE-6748059498 [0,1,0,1,0,0|1,0,0]=3 5059 B10R1.348 NC(=O)C1CCCCNC1 MCULE-8697140088 [0,1,0,1,0,0|1,0,0]=3 5060 B10R1.348 NC(=O)C1CNCCOC1 MCULE-3555049909 [0,1,0,1,0,0|2,0,0]=4 5061 B10R1.348 O=C(Cl)C1CCCCCC1 MCULE-4659434885 [0,1,0,1,0,0|2,0,0]=4 5062 B10R1.348 O=C(O)C1=CCCCCC1 MCULE-5438079704 [0,1,0,1,0,0|1,0,1]=4 5063 B10R1.348 O=C(O)C1=CCCOCC1 MCULE-6315041103 [0,1,0,1,0,0|1,0,1]=4 5064 B10R1.348 O=C(O)C1CCC=CCC1 MCULE-6767000432 [0,1,0,1,0,0|1,0,1]=4 5065 B10R1.348 O=C(O)C1CCCCCC1 MCULE-7903672891 [0,1,0,1,0,0|1,0,0]=3 5066 B10R1.348 O=C(O)C1CCCCCN1 MCULE-2741684183 [0,1,0,1,0,0|0,0,0]=2 5067 B10R1.348 O=C(O)C1CCCCCN1 MCULE-7374703751 [0,1,0,1,0,0|0,0,0]=2 5068 B10R1.348 O=C(O)C1CCCCNC1 MCULE-3392190626 [0,1,0,1,0,0|0,0,0]=2 5069 B10R1.348 O=C(O)C1CCCCNC1 MCULE-7795043703 [0,1,0,1,0,0|0,0,0]=2 5070 B10R1.348 O=C(O)C1CCCNCC1 MCULE-7690110773 [0,1,0,1,0,0|1,0,0]=3 5071 B10R1.348 O=C(O)C1CCCNCC1 MCULE-9766781803 [0,1,0,1,0,0|1,0,0]=3 5072 B10R1.348 O=C(O)C1CCCOCC1 MCULE-9318516869 [0,1,0,1,0,0|1,0,0]=3 5073 B10R1.348 O=C(O)C1CNCCCN1 MCULE-3558230210 [0,1,0,1,0,0|0,0,0]=2 5074 B10R1.348 O=C(O)C1CNCCCN1 MCULE-6835715048 [0,1,0,1,0,0|0,0,0]=2 5075 B10R1.348 O=C(O)C1CNCCCO1 MCULE-2282415374 [0,1,0,1,0,0|1,0,0]=3 5076 B10R1.348 O=C(O)C1CNCCCO1 MCULE-3064687044 [0,1,0,1,0,0|1,0,0]=3 5077 B10R1.348 O=C(O)C1COCCOC1 MCULE-7686530449 [0,1,0,1,0,0|2,0,0]=4 5078 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2016813857 [0,1,0,1,0,0|0,0,0]=2 5079 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2504826586 [0,1,0,1,0,0|0,0,0]=2 5080 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-4939523441 [0,1,0,1,0,0|0,0,0]=2 5081 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-8497154031 [0,1,0,1,0,0|0,0,0]=2 5082 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-1709248067 [0,1,0,1,0,0|0,0,0]=2 5083 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4607599990 [0,1,0,1,0,0|0,0,0]=2 5084 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4947785395 [0,1,0,1,0,0|0,0,0]=2 5085 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-8502245212 [0,1,0,1,0,0|0,0,0]=2 5086 B10R1.348 O=C(O)[C@H]1CCCNCC1 MCULE-2658567129 [0,1,0,1,0,0|1,0,0]=3 5087 B10R1.437 CCCCC1(CC1)C(=O)O MCULE-2829735821 [0,1,0,1,0,0|1,0,0]=3 5088 B10R1.437 CCOCC1(CC1)C(=O)O MCULE-8736848902 [0,1,0,1,0,0|2,0,0]=4 5089 B10R1.437 COCCC1(CC1)C(=O)O MCULE-3235563669 [0,1,0,1,0,0|2,0,0]=4 5090 B10R1.437 O=C(O)C1(CC1)CCCCl MCULE-8200242715 [0,1,0,1,0,0|2,0,0]=4 5091 B10R1.469 CCC(CC1CC1)C(=O)O MCULE-1890976497 [0,1,0,1,0,0|1,0,0]=3 5092 B10R1.469 CCC(NC1CC1)C(=O)O MCULE-7285104702 [0,1,0,1,0,0|2,0,0]=4 5093 B10R1.469 N#CC(CC1CC1)C(=O)O MCULE-3378185370 [0,1,0,1,0,0|0,0,1]=3 5094 B10R1.469 NCC(CC1CC1)C(=O)O MCULE-2099794535 [0,1,0,1,0,0|0,0,0]=2 5095 B10R1.469 NCC(CC1CC1)C(=O)O MCULE-7748639429 [0,1,0,1,0,0|0,0,0]=2 5096 B10R1.469 NCC(NC1CC1)C(=O)N MCULE-9587213676 [0,1,0,1,0,0|2,0,0]=4 5097 B10R1.469 NCC(NC1CC1)C(=O)O MCULE-4716840583 [0,1,0,1,0,0|1,0,0]=3 5098 B10R1.477 C#CC1(CCCC1)C(=O)O MCULE-5542543621 [0,1,0,1,0,0|1,0,0]=3 5099 B10R1.477 CCC1(CCCC1)C(=O)O MCULE-5656602965 [0,1,0,1,0,0|1,0,0]=3 5100 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-3641915361 [0,1,0,1,0,0|2,0,0]=4 5101 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-4597310469 [0,1,0,1,0,0|2,0,0]=4 5102 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-5699616237 [0,1,0,1,0,0|2,0,0]=4 5103 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-9288027580 [0,1,0,1,0,0|2,0,0]=4 5104 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-1110693309 [0,1,0,1,0,0|2,0,0]=4 5105 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-3125780437 [0,1,0,1,0,0|2,0,0]=4 5106 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-3747201084 [0,1,0,1,0,0|2,0,0]=4 5107 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-4962257347 [0,1,0,1,0,0|2,0,0]=4 5108 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-3237722025 [0,1,0,1,0,0|2,0,0]=4 5109 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-4656804455 [0,1,0,1,0,0|2,0,0]=4 5110 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-7911479004 [0,1,0,1,0,0|2,0,0]=4 5111 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-8941344909 [0,1,0,1,0,0|2,0,0]=4 5112 B10R1.477 CNC1(CCCC1)C(=O)N MCULE-8303519887 [0,1,0,1,0,0|1,0,0]=3 5113 B10R1.477 CNC1(CCCC1)C(=O)O MCULE-1767562494 [0,1,0,1,0,0|0,0,0]=2 5114 B10R1.477 CNC1(CCCC1)C(=O)O MCULE-7365959763 [0,1,0,1,0,0|0,0,0]=2 5115 B10R1.477 CNC1(CCOC1)C(=O)O MCULE-7971278840 [0,1,0,1,0,0|1,0,0]=3 5116 B10R1.477 CNC1(CCSC1)C(=O)N MCULE-3173742173 [0,1,0,1,0,0|2,0,0]=4 5117 B10R1.477 CNC1(CCSC1)C(=O)O MCULE-1204206450 [0,1,0,1,0,0|1,0,0]=3 5118 B10R1.477 COC1(CCCC1)C(=O)C MCULE-8752650901 [0,1,0,1,0,0|2,0,0]=4 5119 B10R1.477 COC1(CCCC1)C(=O)Cl MCULE-6593147343 [0,1,0,1,0,0|2,0,0]=4 5120 B10R1.477 COC1(CCCC1)C(=O)O MCULE-1739308870 [0,1,0,1,0,0|1,0,0]=3 5121 B10R1.477 COC1(CCNC1)C(=O)O MCULE-7327143800 [0,1,0,1,0,0|2,0,0]=4 5122 B10R1.477 COC1(CCNC1)C(=O)O MCULE-9120807147 [0,1,0,1,0,0|2,0,0]=4 5123 B10R1.477 COC1(CCOC1)C(=O)O MCULE-5931705357 [0,1,0,1,0,0|2,0,0]=4 5124 B10R1.477 COC1(CCSC1)C(=O)O MCULE-4950827658 [0,1,0,1,0,0|2,0,0]=4 5125 B10R1.477 N#CC1(CCCC1)C(=O)O MCULE-1638254148 [0,1,0,1,0,0|0,0,1]=3 5126 B10R1.477 N#CC1(CCOC1)C(=O)O MCULE-4615848690 [0,1,0,1,0,0|1,0,1]=4 5127 B10R1.477 NCC1(CCCC1)C(=O)N MCULE-7074465709 [0,1,0,1,0,0|1,0,0]=3 5128 B10R1.477 NCC1(CCCC1)C(=O)O MCULE-2746708245 [0,1,0,1,0,0|0,0,0]=2 5129 B10R1.477 NCC1(CCCC1)C(=O)O MCULE-4666634845 [0,1,0,1,0,0|0,0,0]=2 5130 B10R1.477 O=C(O)C1(CCCC1)CO MCULE-7987056998 [0,1,0,1,0,0|1,0,0]=3 5131 B10R1.477 O=C(O)C1(CCCO1)CO MCULE-7539008546 [0,1,0,1,0,0|2,0,0]=4 5132 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-4171786992 [0,1,0,1,0,0|2,0,0]=4 5133 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-6409364695 [0,1,0,1,0,0|2,0,0]=4 5134 B10R1.113 CC1=CCCC(C1)C(=O)O MCULE-1528958679 [0,1,0,1,0,0|1,0,1]=4 5135 B10R1.113 CC1=NCCC(N1)C(=O)O MCULE-8417553503 [0,1,0,1,0,0|0,0,1]=3 5136 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-2656568536 [0,1,0,1,0,0|0,0,2]=4 5137 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-4918579312 [0,1,0,1,0,0|0,0,2]=4 5138 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-7720743223 [0,1,0,1,0,0|1,0,0]=3 5139 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-8584436669 [0,1,0,1,0,0|1,0,0]=3 5140 B10R1.113 CC1CC(CCO1)C(=O)O MCULE-8051149188 [0,1,0,1,0,0|1,0,0]=3 5141 B10R1.113 CC1CCCC(C1)C(=O)O MCULE-1709216331 [0,1,0,1,0,0|1,0,0]=3 5142 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [0,1,0,1,0,0|0,0,0]=2 5143 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [0,1,0,1,0,0|0,0,0]=2 5144 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [0,1,0,1,0,0|0,0,0]=2 5145 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,1,0,1,0,0|1,0,0]=3 5146 B10R1.113 CC1CCNC(C1)C(=O)N MCULE-8372541866 [0,1,0,1,0,0|1,0,0]=3 5147 B10R1.113 CC1CCNC(C1)C(=O)O MCULE-7170086856 [0,1,0,1,0,0|0,0,0]=2 5148 B10R1.113 CC1CCNC(C1)C(C)O MCULE-6816426503 [0,1,0,1,0,0|1,0,1]=4 5149 B10R1.113 CC1CNCC(C1)C(=O)O MCULE-6208683659 [0,1,0,1,0,0|1,0,0]=3 5150 B10R1.113 CC1CNCC(O1)C(=O)N MCULE-4373996098 [0,1,0,1,0,0|2,0,0]=4 5151 B10R1.113 CC1CNCC(O1)C(=O)O MCULE-4851002529 [0,1,0,1,0,0|1,0,0]=3 5152 B10R1.113 CC1COCC(N1)C(=O)N MCULE-4300959650 [0,1,0,1,0,0|1,0,0]=3 5153 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [0,1,0,1,0,0|0,0,0]=2 5154 B10R1.113 CN1CCCC(C1)C(=O)Cl MCULE-2256974113 [0,1,0,1,0,0|2,0,0]=4 5155 B10R1.113 CN1CCCC(C1)C(=O)Cl MCULE-6072454792 [0,1,0,1,0,0|2,0,0]=4 5156 B10R1.113 CN1CCCC(C1)C(=O)N MCULE-2482020070 [0,1,0,1,0,0|2,0,0]=4 5157 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-2577677138 [0,1,0,1,0,0|1,0,0]=3 5158 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-9093982856 [0,1,0,1,0,0|1,0,0]=3 5159 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3472059995 [0,1,0,1,0,0|1,0,0]=3 5160 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3661518240 [0,1,0,1,0,0|1,0,0]=3 5161 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-4244061094 [0,1,0,1,0,0|1,0,0]=3 5162 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-1368409828 [0,1,0,1,0,0|1,0,0]=3 5163 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-2079226353 [0,1,0,1,0,0|1,0,0]=3 5164 B10R1.113 CN1CCNC(C1)C(=O)N MCULE-3257789162 [0,1,0,1,0,0|2,0,0]=4 5165 B10R1.113 CN1CCNC(C1)C(=O)N MCULE-6597619500 [0,1,0,1,0,0|2,0,0]=4 5166 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-2247528725 [0,1,0,1,0,0|1,0,0]=3 5167 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-9094338983 [0,1,0,1,0,0|1,0,0]=3 5168 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-5238925665 [0,1,0,1,0,0|1,0,0]=3 5169 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-6341643779 [0,1,0,1,0,0|1,0,0]=3 5170 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-1518073789 [0,1,0,1,0,0|1,0,0]=3 5171 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-8312508233 [0,1,0,1,0,0|1,0,0]=3 5172 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-5046751827 [0,1,0,1,0,0|2,0,0]=4 5173 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-8819512874 [0,1,0,1,0,0|2,0,0]=4 5174 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4534640450 [0,1,0,1,0,0|1,0,0]=3 5175 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [0,1,0,1,0,0|0,0,0]=2 5176 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [0,1,0,1,0,0|0,0,0]=2 5177 B10R1.113 C[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2658835025 [0,1,0,1,0,0|1,0,0]=3 5178 B10R1.113 C[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-6382189211 [0,1,0,1,0,0|0,0,0]=2 5179 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-3220705725 [0,1,0,1,0,0|0,0,0]=2 5180 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-4368703620 [0,1,0,1,0,0|0,0,0]=2 5181 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5852226290 [0,1,0,1,0,0|0,0,0]=2 5182 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-8448888283 [0,1,0,1,0,0|0,0,0]=2 5183 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-6787897599 [0,1,0,1,0,0|1,0,0]=3 5184 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-7011808441 [0,1,0,1,0,0|1,0,0]=3 5185 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-1640808929 [0,1,0,1,0,0|1,0,0]=3 5186 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-5152957457 [0,1,0,1,0,0|1,0,0]=3 5187 B10R1.113 C[C@@H]1CNC[C@H](C1)C(=O)O MCULE-8762702780 [0,1,0,1,0,0|1,0,0]=3 5188 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-6500795104 [0,1,0,1,0,0|1,0,0]=3 5189 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-9135304432 [0,1,0,1,0,0|1,0,0]=3 5190 B10R1.113 C[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2151963828 [0,1,0,1,0,0|1,0,0]=3 5191 B10R1.113 C[C@H]1CCC[C@H](C1)C(=O)O MCULE-9191189376 [0,1,0,1,0,0|1,0,0]=3 5192 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3797871093 [0,1,0,1,0,0|0,0,0]=2 5193 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3813657182 [0,1,0,1,0,0|0,0,0]=2 5194 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O MCULE-8048617173 [0,1,0,1,0,0|0,0,0]=2 5195 B10R1.113 C[C@H]1CNC[C@@H](C1)C(=O)O MCULE-9182357479 [0,1,0,1,0,0|1,0,0]=3 5196 B10R1.113 C[C@H]1CNC[C@H](C1)C(=O)O MCULE-7208949681 [0,1,0,1,0,0|1,0,0]=3 5197 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-3777490064 [0,1,0,1,0,0|1,0,0]=3 5198 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-7587755997 [0,1,0,1,0,0|1,0,0]=3 5199 B10R1.113 NC(=O)C1CCCC(C1)N MCULE-5887465193 [0,1,0,1,0,0|2,0,0]=4 5200 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-1352569589 [0,1,0,1,0,0|2,0,0]=4 5201 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-3084012877 [0,1,0,1,0,0|2,0,0]=4 5202 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-3571668618 [0,1,0,1,0,0|2,0,0]=4 5203 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-3930179934 [0,1,0,1,0,0|2,0,0]=4 5204 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-1721377644 [0,1,0,1,0,0|1,0,0]=3 5205 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-3598251126 [0,1,0,1,0,0|1,0,0]=3 5206 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7071803947 [0,1,0,1,0,0|1,0,0]=3 5207 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7129710557 [0,1,0,1,0,0|1,0,0]=3 5208 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5563204448 [0,1,0,1,0,0|1,0,0]=3 5209 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5798146682 [0,1,0,1,0,0|1,0,0]=3 5210 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-8105249419 [0,1,0,1,0,0|1,0,0]=3 5211 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-9161171059 [0,1,0,1,0,0|1,0,0]=3 5212 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2713838733 [0,1,0,1,0,0|1,0,0]=3 5213 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2810146308 [0,1,0,1,0,0|1,0,0]=3 5214 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-3141762073 [0,1,0,1,0,0|1,0,0]=3 5215 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-6970045085 [0,1,0,1,0,0|1,0,0]=3 5216 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-5264166397 [0,1,0,1,0,0|1,0,0]=3 5217 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-6153195788 [0,1,0,1,0,0|1,0,0]=3 5218 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-3283868687 [0,1,0,1,0,0|1,0,0]=3 5219 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5009823003 [0,1,0,1,0,0|1,0,0]=3 5220 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-6716939610 [0,1,0,1,0,0|1,0,0]=3 5221 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-8264766500 [0,1,0,1,0,0|1,0,0]=3 5222 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-1016300044 [0,1,0,1,0,0|1,0,0]=3 5223 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-2730367375 [0,1,0,1,0,0|1,0,0]=3 5224 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3326410223 [0,1,0,1,0,0|1,0,0]=3 5225 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3370817462 [0,1,0,1,0,0|1,0,0]=3 5226 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3467671648 [0,1,0,1,0,0|1,0,0]=3 5227 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-7929171022 [0,1,0,1,0,0|1,0,0]=3 5228 B10R1.113 O=C(O)C1=CC(CCC1)O MCULE-3053514968 [0,1,0,1,0,0|1,0,1]=4 5229 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-2758341308 [0,1,0,1,0,0|0,0,0]=2 5230 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-7585455422 [0,1,0,1,0,0|0,0,0]=2 5231 B10R1.113 O=C(O)C1CCCC(C1)F MCULE-2589850350 [0,1,0,1,0,0|1,0,0]=3 5232 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,1,0,1,0,0|1,0,0]=3 5233 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [0,1,0,1,0,0|2,0,0]=4 5234 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [0,1,0,1,0,0|2,0,0]=4 5235 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-2725116552 [0,1,0,1,0,0|1,0,0]=3 5236 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-7493333189 [0,1,0,1,0,0|1,0,0]=3 5237 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,1,0,1,0,0|1,0,0]=3 5238 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,1,0,1,0,0|1,0,0]=3 5239 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,1,0,1,0,0|1,0,0]=3 5240 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,1,0,1,0,0|1,0,0]=3 5241 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-1390000123 [0,1,0,1,0,0|0,0,0]=2 5242 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-5873942206 [0,1,0,1,0,0|0,0,0]=2 5243 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O MCULE-5317131791 [0,1,0,1,0,0|0,0,0]=2 5244 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,1,0,1,0,0|1,0,0]=3 5245 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,1,0,1,0,0|1,0,0]=3 5246 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,1,0,1,0,0|1,0,0]=3 5247 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,1,0,1,0,0|1,0,0]=3 5248 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1474484031 [0,1,0,1,0,0|0,0,0]=2 5249 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1820373402 [0,1,0,1,0,0|0,0,0]=2 5250 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4771226737 [0,1,0,1,0,0|0,0,0]=2 5251 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4907773186 [0,1,0,1,0,0|0,0,0]=2 5252 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-8175624129 [0,1,0,1,0,0|0,0,0]=2 5253 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-4751772547 [0,1,0,1,0,0|0,0,0]=2 5254 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-6686826243 [0,1,0,1,0,0|0,0,0]=2 5255 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,1,0,1,0,0|1,0,1]=4 5256 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,1,0,1,0,0|0,0,1]=3 5257 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,1,0,1,0,0|0,0,1]=3 5258 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,1,0,1,0,0|1,0,1]=4 5259 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,1,0,1,0,0|0,0,1]=3 5260 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,1,0,1,0,0|0,0,1]=3 5261 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,1,0,1,0,0|1,0,1]=4 5262 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,1,0,1,0,0|0,0,1]=3 5263 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,1,0,1,0,0|0,0,1]=3 5264 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,1,0,1,0,0|0,0,1]=3 5265 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,1,0,1,0,0|0,0,1]=3 5266 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,1,0,1,0,0|0,0,1]=3 5267 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,1,0,1,0,0|0,0,1]=3 5268 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,1,0,1,0,0|0,0,1]=3 5269 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,1,0,1,0,0|0,0,1]=3 5270 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,1,0,1,0,0|1,0,1]=4 5271 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,1,0,1,0,0|1,0,1]=4 5272 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,1,0,1,0,0|1,0,1]=4 5273 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,1,0,1,0,0|1,0,1]=4 5274 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,1,0,1,0,0|1,0,1]=4 5275 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,1,0,1,0,0|1,0,1]=4 5276 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,1,0,1,0,0|1,0,1]=4 5277 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,1,0,1,0,0|1,0,1]=4 5278 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [0,1,0,1,0,0|0,0,0]=2 5279 B10R1.113 [C@H]1(CCCN(C1)C)C(=O)O MCULE-4364645223 [0,1,0,1,0,0|1,0,0]=3 5280 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-2539251802 [0,1,0,1,0,0|1,0,0]=3 5281 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-4407634771 [0,1,0,1,0,0|1,0,0]=3 5282 B10R1.203 CC1(N=N1)C[C@H](N)C(=O)O MCULE-2034050150 [0,1,0,1,0,0|2,0,0]=4 5283 B10R1.203 CC1(N=N1)C[C@H](N)C(=O)O MCULE-8922336030 [0,1,0,1,0,0|2,0,0]=4 5284 B10R1.204 CC(CC1CCC1)C(=O)O MCULE-9404107634 [0,1,0,1,0,0|1,0,0]=3 5285 B10R1.204 C[C@H](NC1CCC1)C(=O)O MCULE-7409631566 [0,1,0,1,0,0|1,0,0]=3 5286 B10R1.204 NC(=O)C(F)CC1CCC1 MCULE-6493382532 [0,1,0,1,0,0|2,0,0]=4 5287 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-3218968630 [0,1,0,1,0,0|0,0,0]=2 5288 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-4504908507 [0,1,0,1,0,0|0,0,0]=2 5289 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-9377321223 [0,1,0,1,0,0|0,0,0]=2 5290 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-1216111783 [0,1,0,1,0,0|0,0,0]=2 5291 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-5390134859 [0,1,0,1,0,0|0,0,0]=2 5292 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-5493935992 [0,1,0,1,0,0|0,0,0]=2 5293 B10R1.204 N[C@H](CC1CCC1)C(=O)O MCULE-3225528393 [0,1,0,1,0,0|0,0,0]=2 5294 B10R1.204 N[C@H](CC1CCC1)C(=O)O MCULE-7473428983 [0,1,0,1,0,0|0,0,0]=2 5295 B10R1.204 O=C(O)C(F)CC1CCC1 MCULE-4701098034 [0,1,0,1,0,0|1,0,0]=3 5296 B10R1.204 O=C(O)[C@H](O)CC1CCC1 MCULE-8975040339 [0,1,0,1,0,0|1,0,0]=3 5297 B10R1.235 CCC1(CC(C1)C(=O)O)F MCULE-9977538313 [0,1,0,1,0,0|1,0,0]=3 5298 B10R1.277 CC1CCNC(=O)C(C1)Cl MCULE-7732467824 [0,1,0,1,0,0|2,0,0]=4 5299 B10R1.490 CO[C@H]1C[C@](C1)(N)C(=O)O MCULE-7267565968 [0,1,0,1,0,0|1,0,0]=3 5300 B10R1.490 NC1(CC(C1)CO)C(=O)O MCULE-1855927879 [0,1,0,1,0,0|1,0,0]=3 5301 B10R1.490 N[C@@]1(C[C@H](C1)CO)C(=O)O MCULE-2462435991 [0,1,0,1,0,0|1,0,0]=3 5302 B10R1.93 CCCC1CC(C1)C(=O)O MCULE-7182602664 [0,1,0,1,0,0|1,0,0]=3 5303 B10R1.93 CCOC1CC(C1)C(=O)O MCULE-2644121943 [0,1,0,1,0,0|1,0,0]=3 5304 B10R1.93 COCC1CC(C1)C(=O)O MCULE-8420432135 [0,1,0,1,0,0|1,0,0]=3 5305 B10R1.131 CCCC1OC(=O)C(O1)C MCULE-3323635957 [0,1,0,1,0,0|1,0,0]=3 5306 B10R1.363 CC(=O)C1(CCCCC1)Br MCULE-1087745376 [0,1,0,1,0,0|2,0,0]=4 5307 B10R1.363 CC(=O)C1(CCCCC1)C MCULE-2400194377 [0,1,0,1,0,0|2,0,0]=4 5308 B10R1.363 CC(=O)C1(CCCCC1)N MCULE-2403671270 [0,1,0,1,0,0|1,0,0]=3 5309 B10R1.363 CC(=O)C1(CCCCC1)N MCULE-8220968252 [0,1,0,1,0,0|1,0,0]=3 5310 B10R1.363 CC(=O)C1(CCCCC1)O MCULE-8708554984 [0,1,0,1,0,0|2,0,0]=4 5311 B10R1.363 CC(=O)C1(CCNCC1)C MCULE-2089718696 [0,1,0,1,0,0|2,0,0]=4 5312 B10R1.363 CC(=O)C1(CCNCC1)C MCULE-3448978894 [0,1,0,1,0,0|2,0,0]=4 5313 B10R1.363 CC(=O)C1(CCOCC1)C MCULE-6994899414 [0,1,0,1,0,0|2,0,0]=4 5314 B10R1.363 CC(=O)C1(CCOCC1)O MCULE-4174424855 [0,1,0,1,0,0|2,0,0]=4 5315 B10R1.363 CC1(C=CCCC1)C(=O)O MCULE-7610148262 [0,1,0,1,0,0|1,0,1]=4 5316 B10R1.363 CC1(CC=CCC1)C(=O)O MCULE-5814640957 [0,1,0,1,0,0|1,0,1]=4 5317 B10R1.363 CC1(CCCCC1)C(=O)Cl MCULE-2304699201 [0,1,0,1,0,0|2,0,0]=4 5318 B10R1.363 CC1(CCCCC1)C(=O)N MCULE-2748976288 [0,1,0,1,0,0|2,0,0]=4 5319 B10R1.363 CC1(CCCCC1)C(=O)O MCULE-8617368211 [0,1,0,1,0,0|1,0,0]=3 5320 B10R1.363 CC1(CCCCN1)C(=O)N MCULE-5510028076 [0,1,0,1,0,0|1,0,0]=3 5321 B10R1.363 CC1(CCCCN1)C(=O)N MCULE-9010382394 [0,1,0,1,0,0|1,0,0]=3 5322 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-4353837718 [0,1,0,1,0,0|0,0,0]=2 5323 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-5823768018 [0,1,0,1,0,0|0,0,0]=2 5324 B10R1.363 CC1(CCCCO1)C(=O)O MCULE-8167039984 [0,1,0,1,0,0|1,0,0]=3 5325 B10R1.363 CC1(CCCNC1)C(=O)N MCULE-6281064804 [0,1,0,1,0,0|2,0,0]=4 5326 B10R1.363 CC1(CCCNC1)C(=O)N MCULE-7011930506 [0,1,0,1,0,0|2,0,0]=4 5327 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-1830247756 [0,1,0,1,0,0|1,0,0]=3 5328 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-4554317503 [0,1,0,1,0,0|1,0,0]=3 5329 B10R1.363 CC1(CCCOC1)C(=O)O MCULE-3722771180 [0,1,0,1,0,0|1,0,0]=3 5330 B10R1.363 CC1(CCNCC1)C(=O)N MCULE-1830846193 [0,1,0,1,0,0|2,0,0]=4 5331 B10R1.363 CC1(CCNCC1)C(=O)N MCULE-7847544229 [0,1,0,1,0,0|2,0,0]=4 5332 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-5925956345 [0,1,0,1,0,0|1,0,0]=3 5333 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-9595642308 [0,1,0,1,0,0|1,0,0]=3 5334 B10R1.363 CC1(CCOCC1)C(=O)O MCULE-6824729734 [0,1,0,1,0,0|1,0,0]=3 5335 B10R1.363 CC1(CCSCC1)C(=O)O MCULE-4494370785 [0,1,0,1,0,0|1,0,0]=3 5336 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-6864976931 [0,1,0,1,0,0|2,0,0]=4 5337 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-7815848744 [0,1,0,1,0,0|2,0,0]=4 5338 B10R1.363 CC1(COCCN1)C(=O)O MCULE-2577762263 [0,1,0,1,0,0|1,0,0]=3 5339 B10R1.363 CC1(COCCN1)C(=O)O MCULE-4596611063 [0,1,0,1,0,0|1,0,0]=3 5340 B10R1.363 CC1(COCCO1)C(=O)O MCULE-5074851185 [0,1,0,1,0,0|2,0,0]=4 5341 B10R1.363 CC1(COCOC1)C(=O)O MCULE-7267825356 [0,1,0,1,0,0|2,0,0]=4 5342 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-2751244606 [0,1,0,1,0,0|0,0,0]=2 5343 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-9588562839 [0,1,0,1,0,0|0,0,0]=2 5344 B10R1.363 C[C@@]1(CCCCO1)C(=O)O MCULE-8351337180 [0,1,0,1,0,0|1,0,0]=3 5345 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-2580172241 [0,1,0,1,0,0|1,0,0]=3 5346 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-5735574050 [0,1,0,1,0,0|1,0,0]=3 5347 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-6097682986 [0,1,0,1,0,0|1,0,0]=3 5348 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-8361078667 [0,1,0,1,0,0|1,0,0]=3 5349 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-2019738412 [0,1,0,1,0,0|0,0,0]=2 5350 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-5663835052 [0,1,0,1,0,0|0,0,0]=2 5351 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-8254704116 [0,1,0,1,0,0|0,0,0]=2 5352 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-1520204390 [0,1,0,1,0,0|1,0,0]=3 5353 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-5357080399 [0,1,0,1,0,0|1,0,0]=3 5354 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-4789999853 [0,1,0,1,0,0|1,0,0]=3 5355 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-5338426663 [0,1,0,1,0,0|1,0,0]=3 5356 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-6021049561 [0,1,0,1,0,0|1,0,0]=3 5357 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-7816386590 [0,1,0,1,0,0|1,0,0]=3 5358 B10R1.363 NC(=O)C1(CCCCC1)N MCULE-9213834644 [0,1,0,1,0,0|1,0,0]=3 5359 B10R1.363 NC(=O)C1(CCCCC1)O MCULE-9953817877 [0,1,0,1,0,0|2,0,0]=4 5360 B10R1.363 NC(=O)C1(CCCNC1)O MCULE-5624973083 [0,1,0,1,0,0|2,0,0]=4 5361 B10R1.363 NC(=O)C1(CCNCC1)O MCULE-1637528026 [0,1,0,1,0,0|2,0,0]=4 5362 B10R1.363 NC(=O)C1(CCNCC1)O MCULE-9426392755 [0,1,0,1,0,0|2,0,0]=4 5363 B10R1.363 NC(=O)C1(CCOCC1)N MCULE-2419590647 [0,1,0,1,0,0|1,0,0]=3 5364 B10R1.363 NC(=O)C1(CCOCC1)N MCULE-4475585786 [0,1,0,1,0,0|1,0,0]=3 5365 B10R1.363 NC(=O)C1(CCOCC1)O MCULE-6043002573 [0,1,0,1,0,0|2,0,0]=4 5366 B10R1.363 NC(=O)C1(CCSCC1)N MCULE-4385733187 [0,1,0,1,0,0|1,0,0]=3 5367 B10R1.363 NC(=O)C1(CCSCC1)O MCULE-5322321936 [0,1,0,1,0,0|2,0,0]=4 5368 B10R1.363 NC1(CCCCC1)C(=O)O MCULE-9219404299 [0,1,0,1,0,0|0,0,0]=2 5369 B10R1.363 NC1(CCCOC1)C(=O)O MCULE-7592747043 [0,1,0,1,0,0|0,0,0]=2 5370 B10R1.363 NC1(CCCSC1)C(=O)O MCULE-5875012341 [0,1,0,1,0,0|0,0,0]=2 5371 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-2468722313 [0,1,0,1,0,0|0,0,0]=2 5372 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-4525710147 [0,1,0,1,0,0|0,0,0]=2 5373 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-5856930946 [0,1,0,1,0,0|0,0,0]=2 5374 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-8458518802 [0,1,0,1,0,0|0,0,0]=2 5375 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-8720926076 [0,1,0,1,0,0|0,0,0]=2 5376 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-9032013861 [0,1,0,1,0,0|0,0,0]=2 5377 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-3400288648 [0,1,0,1,0,0|0,0,0]=2 5378 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-7826194478 [0,1,0,1,0,0|0,0,0]=2 5379 B10R1.363 O=C(Cl)C1(CCCCC1)Br MCULE-3943135228 [0,1,0,1,0,0|2,0,0]=4 5380 B10R1.363 O=C(Cl)C1(CCCCC1)Cl MCULE-5594029874 [0,1,0,1,0,0|2,0,0]=4 5381 B10R1.363 O=C(O)C1(CCCCC1)Br MCULE-4457572618 [0,1,0,1,0,0|1,0,0]=3 5382 B10R1.363 O=C(O)C1(CCCCC1)Cl MCULE-9172453010 [0,1,0,1,0,0|1,0,0]=3 5383 B10R1.363 O=C(O)C1(CCCCC1)F MCULE-6566089811 [0,1,0,1,0,0|1,0,0]=3 5384 B10R1.363 O=C(O)C1(CCCCC1)O MCULE-8504861268 [0,1,0,1,0,0|1,0,0]=3 5385 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-4880129058 [0,1,0,1,0,0|1,0,0]=3 5386 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-9960592206 [0,1,0,1,0,0|1,0,0]=3 5387 B10R1.363 O=C(O)C1(CCCOC1)F MCULE-8290066035 [0,1,0,1,0,0|1,0,0]=3 5388 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-1312767997 [0,1,0,1,0,0|1,0,0]=3 5389 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-5915477961 [0,1,0,1,0,0|1,0,0]=3 5390 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-4619147711 [0,1,0,1,0,0|1,0,0]=3 5391 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-6538244346 [0,1,0,1,0,0|1,0,0]=3 5392 B10R1.363 O=C(O)C1(CCOCC1)F MCULE-7783441156 [0,1,0,1,0,0|1,0,0]=3 5393 B10R1.363 O=C(O)C1(CCOCC1)O MCULE-4186201239 [0,1,0,1,0,0|1,0,0]=3 5394 B10R1.363 O=C(O)C1(CCSCC1)O MCULE-8230713014 [0,1,0,1,0,0|1,0,0]=3 5395 B10R1.363 [NH3+]C1(CCCCC1)C(=O)O MCULE-1248384499 [0,1,0,1,0,0|0,0,1]=3 5396 B10R1.354 CC(C)(C(=O)O)C1CCC1 MCULE-2258535093 [0,1,0,1,0,0|1,0,0]=3 5397 B10R1.354 CC(C)(C(=O)O)C1CNC1 MCULE-1343052229 [0,1,0,1,0,0|2,0,0]=4 5398 B10R1.354 CC(C)(C(=O)O)C1CNC1 MCULE-7369462099 [0,1,0,1,0,0|2,0,0]=4 5399 B10R1.354 CC(N)(C(=O)O)C1CCC1 MCULE-4918102968 [0,1,0,1,0,0|0,0,0]=2 5400 B10R1.354 CC(N)(C(=O)O)C1CCC1 MCULE-6559227354 [0,1,0,1,0,0|0,0,0]=2 5401 B10R1.354 CC(N)(C(=O)O)C1COC1 MCULE-6006399645 [0,1,0,1,0,0|1,0,0]=3 5402 B10R1.354 CC(N)(C(=O)O)C1COC1 MCULE-7118895389 [0,1,0,1,0,0|1,0,0]=3 5403 B10R1.354 CC(O)(C(=O)O)C1CCC1 MCULE-4063351378 [0,1,0,1,0,0|1,0,0]=3 5404 B10R1.354 O=C(O)C(F)(F)C1CCC1 MCULE-6803588002 [0,1,0,1,0,0|1,0,0]=3 5405 B10R1.356 CC(C)(CC1CC1)C(=O)O MCULE-9668799667 [0,1,0,1,0,0|1,0,0]=3 5406 B10R1.356 O=C(O)C(F)(F)CC1CC1 MCULE-4271456572 [0,1,0,1,0,0|1,0,0]=3 5407 B10R2.61 O=C1CC2CCCC1C2 MCULE-9902349455 [0,0,0,2,0,0|2,0,0]=4 5408 B10R2.61 O=C1NC2CCCC1C2 MCULE-9859470381 [0,0,0,2,0,0|2,0,0]=4 5409 B10R2.61 O=C1NC2CCNC1C2 MCULE-4221823714 [0,0,0,2,0,0|1,0,0]=3 5410 B10R2.61 O=C1N[C@H]2CCC[C@@H]1C2 MCULE-2498857906 [0,0,0,2,0,0|2,0,0]=4 5411 B10R2.61 O=C1OC2CCNC1C2 MCULE-8392788767 [0,0,0,2,0,0|0,0,0]=2 5412 B10R2.61 O=C1OC2CCOC1C2 MCULE-4977323499 [0,0,0,2,0,0|1,0,0]=3 5413 B10R2.61 OC1CC2CCCC1N2 MCULE-3954082989 [0,0,0,2,0,0|1,0,1]=4 5414 B10R2.61 OC1CC2CCCC1N2 MCULE-7079809262 [0,0,0,2,0,0|1,0,1]=4 5415 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 MCULE-2552895453 [0,0,0,2,0,0|1,0,1]=4 5416 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 MCULE-4250815389 [0,0,0,2,0,0|1,0,1]=4 5417 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 MCULE-2822355852 [0,0,0,2,0,0|1,0,1]=4 5418 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 MCULE-4302363856 [0,0,0,2,0,0|1,0,1]=4 5419 B10R2.61 [C@@H]12CCC[C@@H](N1)C[C@@H]2O MCULE-1866289078 [0,0,0,2,0,0|1,0,1]=4 5420 B10R2.61 [C@@H]12CCC[C@@H](N1)C[C@@H]2O MCULE-9478811687 [0,0,0,2,0,0|1,0,1]=4 5421 B10R2.61 [C@@H]12CCC[C@@H](N1)C[C@H]2O MCULE-8012690560 [0,0,0,2,0,0|1,0,1]=4 5422 B10R2.61 [C@@H]12CCC[C@@H](N1)C[C@H]2O MCULE-8087701413 [0,0,0,2,0,0|1,0,1]=4 5423 B10R2.61 [C@H]12CCC[C@H](C1)C(=O)N2 MCULE-6927488861 [0,0,0,2,0,0|2,0,0]=4 5424 B10R2.65 CC12CC1CCCC2=O MCULE-7187224935 [0,0,0,2,0,0|2,0,0]=4 5425 B10R2.178 NC1CCC2COC1O2 MCULE-1166304236 [0,0,0,2,0,0|0,0,2]=4 5426 B10R2.178 O=C1CCC2CCC1C2 MCULE-9878559019 [0,0,0,2,0,0|2,0,0]=4 5427 B10R2.178 O=C1CCC2CCC1N2 MCULE-6973216208 [0,0,0,2,0,0|1,0,0]=3 5428 B10R2.178 O=C1CCC2CCC1N2 MCULE-8820198645 [0,0,0,2,0,0|1,0,0]=3 5429 B10R2.178 O=C1CCC2CCC1O2 MCULE-3236338675 [0,0,0,2,0,0|2,0,0]=4 5430 B10R2.178 O=C1NCC2CCC1C2 MCULE-3479263424 [0,0,0,2,0,0|2,0,0]=4 5431 B10R2.178 O=C1NCC2CCC1N2 MCULE-3116159232 [0,0,0,2,0,0|1,0,0]=3 5432 B10R2.178 O=C1NCC2CCC1N2 MCULE-6500052801 [0,0,0,2,0,0|1,0,0]=3 5433 B10R2.178 O=C1NCC2CCC1O2 MCULE-2784769464 [0,0,0,2,0,0|2,0,0]=4 5434 B10R2.178 O=C1NC[C@@H]2CC[C@H]1O2 MCULE-2850895205 [0,0,0,2,0,0|2,0,0]=4 5435 B10R2.178 OC1CCC2CCC1N2 MCULE-1746954108 [0,0,0,2,0,0|1,0,1]=4 5436 B10R2.178 OC1CCC2CCC1N2 MCULE-5286805851 [0,0,0,2,0,0|1,0,1]=4 5437 B10R2.178 O[C@@H]1CC[C@@H]2CC[C@H]1N2 MCULE-4019321438 [0,0,0,2,0,0|1,0,1]=4 5438 B10R2.178 O[C@@H]1CC[C@@H]2CC[C@H]1N2 MCULE-6224878276 [0,0,0,2,0,0|1,0,1]=4 5439 B10R2.178 O[C@@H]1CC[C@@H]2CC[C@H]1N2 MCULE-8339657915 [0,0,0,2,0,0|1,0,1]=4 5440 B10R2.178 O[C@H]1CC[C@@H]2CC[C@H]1N2 MCULE-1282324762 [0,0,0,2,0,0|1,0,1]=4 5441 B10R2.178 O[C@H]1CC[C@@H]2CC[C@H]1N2 MCULE-9900676249 [0,0,0,2,0,0|1,0,1]=4 5442 B10R2.178 [C@H]12CCC(N1)CNC2=O MCULE-3692240327 [0,0,0,2,0,0|1,0,0]=3 5443 B10R2.178 [C@H]12CCC(N1)CNC2=O MCULE-7438818057 [0,0,0,2,0,0|1,0,0]=3 5444 B10R2.178 [C@H]12CC[C@@H]([C@H](N1)CC2)O MCULE-7342289158 [0,0,0,2,0,0|1,0,1]=4 5445 B10R2.62 C12CCC(CC1)C(=O)C2 MCULE-8282529338 [0,0,0,2,0,0|2,0,0]=4 5446 B10R2.62 C12CCC(CC1)C(=O)O2 MCULE-4611258343 [0,0,0,2,0,0|1,0,0]=3 5447 B10R2.62 O=C1CC2CCC1CC2 MCULE-8331389597 [0,0,0,2,0,0|2,0,0]=4 5448 B10R2.62 O=C1NC2CCC1CC2 MCULE-1572331637 [0,0,0,2,0,0|2,0,0]=4 5449 B10R2.62 O=C1OC2CCC1CC2 MCULE-7150392682 [0,0,0,2,0,0|1,0,0]=3 5450 B10R2.62 OC1CC2CCC1NC2 MCULE-1285981370 [0,0,0,2,0,0|1,0,1]=4 5451 B10R2.62 OC1CC2CCC1NC2 MCULE-1510372436 [0,0,0,2,0,0|1,0,1]=4 5452 B10R2.320 O=C1CC2C1CCCC2 MCULE-8899093243 [0,0,0,2,0,0|2,0,0]=4 5453 B10R2.320 O=C1NC2C1CCCC2 MCULE-4769358198 [0,0,0,2,0,0|2,0,0]=4 5454 B10R2.344 O=C(O)C12CC1CCN2 MCULE-8958769379 [0,0,0,2,0,0|0,0,0]=2 5455 B10R2.344 O=C(O)C12CC1CCN2 MCULE-9918894627 [0,0,0,2,0,0|0,0,0]=2 5456 B10R2.344 O=C(O)C12CCCC1C2 MCULE-1433395114 [0,0,0,2,0,0|1,0,0]=3 5457 B10R2.344 O=C(O)C12CCNC1C2 MCULE-4622558327 [0,0,0,2,0,0|2,0,0]=4 5458 B10R2.344 O=C(O)C12CCNC1C2 MCULE-5876870827 [0,0,0,2,0,0|2,0,0]=4 5459 B10R2.344 O=C(O)C12CNCC1C2 MCULE-1023234959 [0,0,0,2,0,0|2,0,0]=4 5460 B10R2.344 O=C(O)C12CNCC1C2 MCULE-2698470641 [0,0,0,2,0,0|2,0,0]=4 5461 B10R2.344 O=C(O)C12COCC1C2 MCULE-4962599130 [0,0,0,2,0,0|2,0,0]=4 5462 B10R2.344 O=C(O)[C@@]12CC1CCN2 MCULE-8361805191 [0,0,0,2,0,0|0,0,0]=2 5463 B10R2.344 O=C(O)[C@@]12CC1CCN2 MCULE-9298532680 [0,0,0,2,0,0|0,0,0]=2 5464 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 MCULE-5335382694 [0,0,0,2,0,0|2,0,0]=4 5465 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 MCULE-6955865926 [0,0,0,2,0,0|2,0,0]=4 5466 B10R2.344 O=C(O)[C@]12COCC1C2 MCULE-6646373866 [0,0,0,2,0,0|2,0,0]=4 5467 B10R2.344 [C@@H]12COC[C@@]1(C2)C(=O)O MCULE-1926490936 [0,0,0,2,0,0|2,0,0]=4 5468 B10R2.344 [C@@H]12COC[C@@]1(C2)C(=O)O MCULE-4045090245 [0,0,0,2,0,0|2,0,0]=4 5469 B10R2.351 O=C(O)C1C2C1CCC2 MCULE-5457069948 [0,0,0,2,0,0|1,0,0]=3 5470 B10R2.351 O=C(O)C1C2C1CNC2 MCULE-2636221459 [0,0,0,2,0,0|2,0,0]=4 5471 B10R2.351 O=C(O)C1C2C1CNC2 MCULE-6853944528 [0,0,0,2,0,0|2,0,0]=4 5472 B10R2.351 O=C(O)C1C2C1COC2 MCULE-7410101644 [0,0,0,2,0,0|2,0,0]=4 5473 B10R2.351 O=C(O)C1C2C1OCC2 MCULE-7995568672 [0,0,0,2,0,0|2,0,0]=4 5474 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 MCULE-4336908718 [0,0,0,2,0,0|2,0,0]=4 5475 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1COC2 MCULE-2602641452 [0,0,0,2,0,0|2,0,0]=4 5476 B10R2.351 O=C(O)[C@H]1[C@@H]2[C@H]1CNC2 MCULE-3047485005 [0,0,0,2,0,0|2,0,0]=4 5477 B10R2.351 O=C(O)[C@H]1[C@@H]2[C@H]1CNC2 MCULE-7215981155 [0,0,0,2,0,0|2,0,0]=4 5478 B10R2.351 [C@@H]12CNC[C@@H]1[C@H]2C(=O)O MCULE-8121766639 [0,0,0,2,0,0|2,0,0]=4 5479 B10R2.351 [C@H]12COC[C@H]1[C@H]2C(=O)O MCULE-2561176480 [0,0,0,2,0,0|2,0,0]=4 5480 B10R2.355 O=C(O)C1NCC2C1C2 MCULE-8087821545 [0,0,0,2,0,0|0,0,0]=2 5481 B10R2.355 O=C(O)C1NCC2C1C2 MCULE-9943749675 [0,0,0,2,0,0|0,0,0]=2 5482 B10R2.355 O=C(O)C1NC[C@@H]2[C@H]1C2 MCULE-3741942930 [0,0,0,2,0,0|0,0,0]=2 5483 B10R2.355 O=C(O)C1NC[C@@H]2[C@H]1C2 MCULE-8099098772 [0,0,0,2,0,0|0,0,0]=2 5484 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2[C@H]1C2 MCULE-6549710478 [0,0,0,2,0,0|0,0,0]=2 5485 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2[C@H]1C2 MCULE-7349536483 [0,0,0,2,0,0|0,0,0]=2 5486 B10R2.355 O=C(O)[C@H]1NC[C@@H]2[C@H]1C2 MCULE-1865131686 [0,0,0,2,0,0|0,0,0]=2 5487 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 MCULE-3923610209 [0,0,0,2,0,0|0,0,0]=2 5488 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 MCULE-6551780838 [0,0,0,2,0,0|0,0,0]=2 5489 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 MCULE-9694754423 [0,0,0,2,0,0|0,0,0]=2 5490 B10R2.355 [C@@H]12CN[C@@H]([C@@H]1C2)C(=O)O MCULE-4493728887 [0,0,0,2,0,0|0,0,0]=2 5491 B10R2.355 [C@@H]12CN[C@@H]([C@@H]1C2)C(=O)O MCULE-8766409370 [0,0,0,2,0,0|0,0,0]=2 5492 B10R2.355 [C@@H]12CN[C@@H]([C@@H]1C2)C(=O)O MCULE-8840539566 [0,0,0,2,0,0|0,0,0]=2 5493 B10R2.355 [C@@H]12CN[C@H]([C@@H]1C2)C(=O)O MCULE-1970630066 [0,0,0,2,0,0|0,0,0]=2 5494 B10R2.355 [C@@H]12CN[C@H]([C@@H]1C2)C(=O)O MCULE-7946950016 [0,0,0,2,0,0|0,0,0]=2 5495 B10R2.355 [C@H]12C[C@H]1CN[C@@H]2C(=O)O MCULE-9408302039 [0,0,0,2,0,0|0,0,0]=2 5496 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O MCULE-4802776373 [0,0,0,2,0,0|0,0,0]=2 5497 B10R2.357 C12CC(NC1C2)C(=O)N MCULE-4859115894 [0,0,0,2,0,0|1,0,0]=3 5498 B10R2.357 C12CC(NC1C2)C(=O)N MCULE-7323043594 [0,0,0,2,0,0|1,0,0]=3 5499 B10R2.357 C12CC(NC1C2)C(=O)N MCULE-7946144059 [0,0,0,2,0,0|1,0,0]=3 5500 B10R2.357 O=C(O)C1CC2CC2C1 MCULE-9890442572 [0,0,0,2,0,0|1,0,0]=3 5501 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-4212410891 [0,0,0,2,0,0|0,0,0]=2 5502 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-5642169472 [0,0,0,2,0,0|0,0,0]=2 5503 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-6526449280 [0,0,0,2,0,0|0,0,0]=2 5504 B10R2.357 O=C(O)C1CC2OC2C1 MCULE-1665894100 [0,0,0,2,0,0|2,0,0]=4 5505 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 MCULE-8901519673 [0,0,0,2,0,0|0,0,0]=2 5506 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 MCULE-8974728452 [0,0,0,2,0,0|0,0,0]=2 5507 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-2251552616 [0,0,0,2,0,0|0,0,0]=2 5508 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-3670081653 [0,0,0,2,0,0|0,0,0]=2 5509 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-4127413852 [0,0,0,2,0,0|0,0,0]=2 5510 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-5543837378 [0,0,0,2,0,0|0,0,0]=2 5511 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-2699537727 [0,0,0,2,0,0|0,0,0]=2 5512 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-2957583599 [0,0,0,2,0,0|0,0,0]=2 5513 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-8019742930 [0,0,0,2,0,0|0,0,0]=2 5514 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-9906255485 [0,0,0,2,0,0|0,0,0]=2 5515 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-1783881546 [0,0,0,2,0,0|1,0,0]=3 5516 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-2191940678 [0,0,0,2,0,0|1,0,0]=3 5517 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-3269432034 [0,0,0,2,0,0|1,0,0]=3 5518 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-4463912241 [0,0,0,2,0,0|1,0,0]=3 5519 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-6809518361 [0,0,0,2,0,0|1,0,0]=3 5520 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-6941150528 [0,0,0,2,0,0|1,0,0]=3 5521 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-9444667290 [0,0,0,2,0,0|1,0,0]=3 5522 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-9739462821 [0,0,0,2,0,0|1,0,0]=3 5523 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-3004356941 [0,0,0,2,0,0|0,0,0]=2 5524 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-7104749205 [0,0,0,2,0,0|0,0,0]=2 5525 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-9522199577 [0,0,0,2,0,0|0,0,0]=2 5526 B10R2.19 NC12CCC(C1)CC2=O MCULE-5076988928 [0,0,0,2,0,0|1,0,0]=3 5527 B10R2.19 NC12CCC(C1)CC2=O MCULE-6116588211 [0,0,0,2,0,0|1,0,0]=3 5528 B10R2.60 O=C1OC2CC1CC2Br MCULE-9788012516 [0,0,0,2,0,0|2,0,0]=4 5529 B10R2.348 NC(=O)C12CCC(C1)C2 MCULE-7319305149 [0,0,0,2,0,0|2,0,0]=4 5530 B10R2.348 O=C(O)C12CC(C1)CN2 MCULE-3301053502 [0,0,0,2,0,0|2,0,0]=4 5531 B10R2.348 O=C(O)C12CC(C1)CN2 MCULE-9060454076 [0,0,0,2,0,0|2,0,0]=4 5532 B10R2.348 O=C(O)C12CC(C1)CO2 MCULE-4565029695 [0,0,0,2,0,0|2,0,0]=4 5533 B10R2.348 O=C(O)C12CC(C1)CO2 MCULE-7423494837 [0,0,0,2,0,0|2,0,0]=4 5534 B10R2.348 O=C(O)C12CCC(C1)C2 MCULE-8219273908 [0,0,0,2,0,0|1,0,0]=3 5535 B10R2.348 O=C(O)C12CNC(C1)C2 MCULE-7157298202 [0,0,0,2,0,0|2,0,0]=4 5536 B10R2.348 O=C(O)C12COC(C1)C2 MCULE-8326120300 [0,0,0,2,0,0|2,0,0]=4 5537 B10R2.3 O=C1CCC12CCCC2 MCULE-3635781660 [0,0,0,2,0,0|2,0,0]=4 5538 B10R2.3 O=C1COC12CCCC2 MCULE-2720364777 [0,0,0,2,0,0|2,0,0]=4 5539 B10R2.3 O=C1NCC12CCCC2 MCULE-1319211994 [0,0,0,2,0,0|2,0,0]=4 5540 B10R2.324 O=C1CCC1C2CCC2 MCULE-1229359882 [0,0,0,2,0,0|2,0,0]=4 5541 B10R2.633 O=C(O)C1CC1C2CC2 MCULE-6848931753 [0,0,0,2,0,0|1,0,0]=3 5542 B10R2.633 O=C(O)[C@H]1C[C@@H]1C2CC2 MCULE-1673827734 [0,0,0,2,0,0|1,0,0]=3 5543 B10R2.638 O=C(O)C1CC12CCC2 MCULE-5122422025 [0,0,0,2,0,0|1,0,0]=3 5544 B10R2.638 O=C(O)C1CC12COC2 MCULE-3616837602 [0,0,0,2,0,0|2,0,0]=4 5545 B10R2.638 O=C(O)[C@H]1CC12CCC2 MCULE-6436884704 [0,0,0,2,0,0|1,0,0]=3 5546 B10R2.646 O=C(O)C1CC2(C1)CC2 MCULE-6115049357 [0,0,0,2,0,0|1,0,0]=3 5547 B10R0.78 CCCCC(=O)CCC(=O)O MCULE-7337930692 [0,0,0,0,0,2|1,0,1]=4 5548 B10R0.78 CCCCC(=O)NCC(=O)O MCULE-9839707919 [0,0,0,0,0,2|1,0,1]=4 5549 B10R0.78 CCCCC(C)CCC(=O)O MCULE-2454273176 [0,0,0,0,0,2|1,0,0]=3 5550 B10R0.78 CCCCC(N)CCC(=O)O MCULE-2622598542 [0,0,0,0,0,2|0,0,0]=2 5551 B10R0.78 CCCCC(N)CCC(=O)O MCULE-5683869807 [0,0,0,0,0,2|0,0,0]=2 5552 B10R0.78 CCCCC(O)CCC(=O)O MCULE-6806538778 [0,0,0,0,0,2|1,0,0]=3 5553 B10R0.78 CCCCC(O)CCC(=O)[O-] MCULE-9148086354 [0,0,0,0,0,2|1,0,1]=4 5554 B10R0.78 CCCCN(C)CCC(=O)O MCULE-3286714152 [0,0,0,0,0,2|2,0,0]=4 5555 B10R0.78 CCCCS(=O)CCC(=O)O MCULE-7420971633 [0,0,0,0,0,2|2,0,0]=4 5556 B10R0.78 CCCC[C@H](C)CCC(=O)O MCULE-4790339661 [0,0,0,0,0,2|1,0,0]=3