0 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.8 C=C(C)C(=O)NCOC MCULE-1355341818 [0,0,0,0,0,0|3,1,0]=4 11 B8R0.8 C=C(C)C(=O)OCCC MCULE-3202968176 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [0,0,0,0,0,0|1,0,1]=2 13 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.8 C=CCOC(=O)C(=O)Cl MCULE-8229700596 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,0,0,0,0,0|2,0,0]=2 32 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,0,0,0,0,0|1,0,0]=1 33 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,0,0,0,0,0|1,0,1]=2 34 B8R0.8 CCCCC(=O)C(C)C MCULE-1905176805 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.8 CCCCC(=O)C(C)N MCULE-1316684028 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.8 CCCCC(=O)C(C)N MCULE-1846818051 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.8 CCCCC(=O)C(C)N MCULE-6223994385 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.8 CCCCC(=O)C(C)N MCULE-8594054065 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.8 CCCCC(=O)N(C)C MCULE-1521248911 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-4202397833 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-8156418445 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-8186118680 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-9214507863 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,0,0,0,0,0|2,0,1]=3 46 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,0,0,0,0,0|2,0,1]=3 50 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,0,0,0,0,0|2,0,1]=3 51 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,0,0,0,0,0|2,0,2]=4 55 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,0,0,0,0,0|1,0,2]=3 56 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [0,0,0,0,0,0|4,0,0]=4 57 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,0,0,0,0,0|2,0,1]=3 58 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,0,0,0,0,0|2,0,1]=3 59 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,0,0,0,0,0|2,0,1]=3 60 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,0,0,0,0,0|2,0,1]=3 61 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,0,0,0,0,0|2,0,1]=3 62 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,0,0,0,0,0|2,0,1]=3 67 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,0,0,0,0,0|2,0,1]=3 68 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,0,0,0,0,0|2,0,0]=2 69 B8R0.8 CCCOC(=O)C(C)O MCULE-8240669472 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.8 CCCOC(=O)[C@H](C)O MCULE-4150275631 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.8 CNCCC(=O)N(C)C MCULE-6256018690 [0,0,0,0,0,0|4,0,0]=4 81 B8R0.8 CNCCC(=O)N(C)C MCULE-9074335618 [0,0,0,0,0,0|4,0,0]=4 82 B8R0.8 CNCCN(C)C(=O)C MCULE-7429681700 [0,0,0,0,0,0|4,0,0]=4 83 B8R0.8 COCCC(=O)C(C)C MCULE-8480801762 [0,0,0,0,0,0|2,1,1]=4 84 B8R0.8 COCCC(=O)N(C)C MCULE-3658554853 [0,0,0,0,0,0|3,1,0]=4 85 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,0,0,0,0,0|1,1,1]=3 86 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,0,0,0,0,0|2,1,1]=4 87 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,0,0,0,0,0|2,1,1]=4 88 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,0,0,0,0,0|1,1,1]=3 89 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,0,0,0,0,0|1,1,1]=3 90 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,0,0,0,0,0|1,1,1]=3 91 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,0,0,0,0,0|0,0,0]=0 92 B8R0.8 CSCCC(=O)C(=O)[O-] MCULE-4931776455 [0,0,0,0,0,0|0,0,1]=1 93 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,0,0,0,0,0|2,0,1]=3 94 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,0,0,0,0,0|2,0,1]=3 95 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,0,0,0,0,0|2,0,1]=3 96 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,0,0,0,0,0|2,0,1]=3 97 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,0,0,0,0,0|1,0,1]=2 98 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [0,0,0,0,0,0|1,0,2]=3 99 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,0,0,0,0,0|0,0,2]=2 100 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,0,0,0,0,0|1,0,1]=2 101 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,0,0,0,0,0|1,0,1]=2 102 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,0,0,0,0,0|1,0,2]=3 103 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,0,0,0,0,0|1,0,2]=3 104 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,0,0,0,0,0|2,0,1]=3 105 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,0,0,0,0,0|2,0,1]=3 106 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,0,0,0,0,0|2,0,1]=3 107 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,0,0,0,0,0|2,0,1]=3 108 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,0,0,0,0,0|1,0,1]=2 109 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,0,0,0,0,0|1,0,1]=2 110 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,0,0,0,0,0|1,0,1]=2 111 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,0,0,0,0,0|1,1,1]=3 112 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,0,0,0,0,0|1,1,1]=3 113 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,0,0,0,0,0|1,1,1]=3 114 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,0,0,0,0,0|3,0,1]=4 117 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,0,0,0,0,0|3,0,1]=4 119 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,0,0,0,0,0|3,0,1]=4 120 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,0,0,0,0,0|3,0,1]=4 121 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,0,0,0,0,0|3,0,1]=4 122 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,0,0,0,0,0|3,0,1]=4 123 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,0,0,0,0,0|3,0,1]=4 124 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,0,0,0,0,0|3,0,1]=4 125 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,0,0,0,0,0|3,0,1]=4 126 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,0,0,0,0,0|3,0,1]=4 127 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,0,0,0,0,0|3,0,1]=4 128 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,0,0,0,0,0|3,0,1]=4 129 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,0,0,0,0,0|3,0,1]=4 130 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,0,0,0,0,0|3,0,1]=4 131 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,0,0,0,0,0|2,1,1]=4 132 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,0,0,0,0,0|2,1,1]=4 133 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,0,0,0,0,0|2,1,1]=4 134 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,0,0,0,0,0|2,1,1]=4 135 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,0,0,0,0,0|3,0,1]=4 137 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,0,0,0,0,0|2,0,2]=4 139 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,0,0,0,0,0|2,1,1]=4 140 B7R0.3 C=C(C=O)CCC#N MCULE-3479954551 [1,0,0,0,0,0|3,0,0]=4 141 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,0,0,0,0,0|2,0,0]=3 142 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [1,0,0,0,0,0|3,0,0]=4 143 B7R0.3 C=CC(=O)NCCC MCULE-5704500398 [1,0,0,0,0,0|3,0,0]=4 144 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [1,0,0,0,0,0|3,0,0]=4 145 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [1,0,0,0,0,0|3,0,0]=4 146 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [1,0,0,0,0,0|3,0,0]=4 147 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [1,0,0,0,0,0|3,0,0]=4 151 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [1,0,0,0,0,0|3,0,0]=4 152 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [1,0,0,0,0,0|3,0,0]=4 153 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [1,0,0,0,0,0|2,1,0]=4 156 B7R0.3 CNCC/C(=N/O)/N MCULE-5663392892 [1,0,0,0,0,0|3,0,0]=4 157 B7R0.3 CNCC/C(=N/O)/N MCULE-9276854772 [1,0,0,0,0,0|3,0,0]=4 158 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [1,0,0,0,0,0|3,0,0]=4 159 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [1,0,0,0,0,0|3,0,0]=4 160 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [1,0,0,0,0,0|3,0,0]=4 161 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [1,0,0,0,0,0|3,0,0]=4 162 B7R0.3 COC(=O)CCSC MCULE-8525618169 [1,0,0,0,0,0|2,0,0]=3 163 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [1,0,0,0,0,0|2,1,0]=4 164 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [1,0,0,0,0,0|2,1,0]=4 165 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [1,0,0,0,0,0|1,1,1]=4 166 B7R0.3 COCCC(=O)NN MCULE-6895114863 [1,0,0,0,0,0|2,1,0]=4 167 B7R0.3 COCCC(=O)OC MCULE-5918489580 [1,0,0,0,0,0|2,1,0]=4 168 B7R0.3 CSCCC(N)CO MCULE-1688371230 [1,0,0,0,0,0|1,0,2]=4 169 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [1,0,0,0,0,0|1,0,2]=4 170 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [1,0,0,0,0,0|1,0,2]=4 171 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [1,0,0,0,0,0|1,0,2]=4 172 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [1,0,0,0,0,0|1,0,2]=4 173 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,0,0,0,0,0|1,0,2]=4 174 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,0,0,0,0,0|1,0,1]=3 175 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [1,0,0,0,0,0|1,0,2]=4 176 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [1,0,0,0,0,0|1,0,2]=4 177 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,0,0,0,0,0|1,0,2]=4 178 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,0,0,0,0,0|1,0,2]=4 179 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [1,0,0,0,0,0|1,0,2]=4 180 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,0,0,0,0,0|1,0,2]=4 181 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [1,0,0,0,0,0|2,0,1]=4 182 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,0,0,0,0,0|1,0,2]=4 183 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [1,0,0,0,0,0|2,0,1]=4 184 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [1,0,0,0,0,0|2,0,1]=4 185 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,0,0,0,0,0|1,0,1]=3 186 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,0,0,0,0,0|2,0,1]=4 188 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,0,0,0,0,0|2,0,1]=4 189 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,0,0,0,0,0|1,0,1]=3 190 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,0,0,0,0,0|1,0,2]=4 191 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,0,0,0,0,0|1,0,2]=4 192 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,0,0,0,0,0|3,0,0]=4 193 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [1,0,0,0,0,0|3,0,0]=4 194 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,0,0,0,0,0|3,0,0]=4 195 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,0,0,0,0,0|3,0,0]=4 196 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,0,0,0,0,0|3,0,0]=4 197 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,0,0,0,0,0|3,0,0]=4 198 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,0,0,0,0,0|3,0,0]=4 199 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [1,0,0,0,0,0|3,0,0]=4 200 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,0,0,0,0,0|2,0,1]=4 201 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,0,0,0,0,0|2,0,1]=4 202 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,0,0,0,0,0|2,0,1]=4 203 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,0,0,0,0,0|2,0,1]=4 204 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,0,0,0,0,0|2,0,1]=4 205 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,0,0,0,0,0|2,0,1]=4 206 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [1,0,0,0,0,0|2,0,1]=4 207 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [1,0,0,0,0,0|2,0,1]=4 208 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,0,0,0,0,0|2,0,1]=4 209 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,0,0,0,0,0|2,0,1]=4 210 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,0,0,0,0,0|2,0,1]=4 211 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,0,0,0,0,0|2,0,1]=4 212 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,0,0,0,0,0|1,0,1]=3 213 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,0,0,0,0,0|1,0,1]=3 214 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,0,0,0,0,0|3,0,0]=4 215 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,0,0,0,0,0|3,0,0]=4 216 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [1,0,0,0,0,0|3,0,0]=4 217 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [1,0,0,0,0,0|3,0,0]=4 218 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [1,0,0,0,0,0|0,1,1]=3 219 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [1,0,0,0,0,0|0,1,2]=4 220 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [1,0,0,0,0,0|0,1,1]=3 221 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,0,0,0,0,0|1,1,1]=4 222 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,0,0,0,0,0|0,1,1]=3 223 B7R0.4 COCCNC(=O)C MCULE-2794263612 [1,0,0,0,0,0|2,1,0]=4 224 B7R0.4 COCCNC(=O)N MCULE-1380726553 [1,0,0,0,0,0|2,1,0]=4 225 B7R0.4 COCCOC(=O)C MCULE-3221264060 [1,0,0,0,0,0|2,1,0]=4 226 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [1,0,0,0,0,0|2,1,0]=4 227 B7R0.4 COCCOC(=O)N MCULE-3401505850 [1,0,0,0,0,0|2,1,0]=4 228 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,0,0,0,0,0|0,0,1]=2 229 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,0,0,0,0,0|0,0,1]=2 230 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,0,0,0,0,0|2,0,0]=3 231 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [1,0,0,0,0,0|2,0,0]=3 232 B7R0.4 CSCCNC(=S)N MCULE-1778031613 [1,0,0,0,0,0|2,1,0]=4 233 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [1,0,0,0,0,0|2,0,0]=3 234 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,0,0,0,0,0|1,0,1]=3 235 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,0,0,0,0,0|2,0,1]=4 236 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,0,0,0,0,0|2,0,1]=4 237 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,0,0,0,0,0|2,0,1]=4 238 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,0,0,0,0,0|2,0,1]=4 239 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,0,0,0,0,0|2,0,1]=4 240 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,0,0,0,0,0|1,1,1]=4 241 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,0,0,0,0,0|1,1,1]=4 242 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,0,0,0,0,0|2,0,1]=4 243 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,0,0,0,0,0|2,0,1]=4 244 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,0,0,0,0,0|2,0,1]=4 245 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,0,0,0,0,0|2,0,1]=4 246 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,0,0,0,0,0|2,0,1]=4 247 B7R0.5 C=C(Br)C(=O)OCC MCULE-3441307956 [1,0,0,0,0,0|3,0,0]=4 248 B7R0.5 C=C(C)C(=O)OCC MCULE-9496497565 [1,0,0,0,0,0|3,0,0]=4 249 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,0,0,0,0,0|1,0,0]=2 250 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,0,0,0,0,0|1,1,0]=3 251 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [1,0,0,0,0,0|1,1,0]=3 252 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,0,0,0,0,0|2,0,1]=4 253 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,0,0,0,0,0|2,0,1]=4 254 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,0,0,0,0,0|1,1,1]=4 255 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,0,0,0,0,0|1,0,1]=3 256 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,0,0,0,0,0|1,0,1]=3 257 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [1,0,0,0,0,0|1,0,1]=3 258 B7R0.5 CCCC(=C(F)F)F MCULE-1831306144 [1,0,0,0,0,0|3,0,0]=4 259 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [1,0,0,0,0,0|1,0,0]=2 260 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [1,0,0,0,0,0|1,0,0]=2 261 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,0,0,0,0,0|0,0,0]=1 262 B7R0.5 CCCC(=O)C(C)Br MCULE-8743472868 [1,0,0,0,0,0|2,0,1]=4 263 B7R0.5 CCCC(=O)C(C)C MCULE-7690543374 [1,0,0,0,0,0|2,0,1]=4 264 B7R0.5 CCCC(=O)N(C)C MCULE-8154537620 [1,0,0,0,0,0|3,0,0]=4 265 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [1,0,0,0,0,0|2,0,1]=4 266 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,0,0,0,0,0|1,0,1]=3 267 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,0,0,0,0,0|2,0,1]=4 268 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,0,0,0,0,0|2,0,1]=4 269 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,0,0,0,0,0|2,0,1]=4 270 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,0,0,0,0,0|1,0,1]=3 271 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,0,0,0,0,0|1,0,1]=3 272 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,0,0,0,0,0|1,0,1]=3 273 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,0,0,0,0,0|2,0,1]=4 274 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,0,0,0,0,0|2,0,1]=4 275 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,0,0,0,0,0|1,0,1]=3 276 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,0,0,0,0,0|1,0,1]=3 277 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,0,0,0,0,0|1,0,1]=3 278 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,0,0,0,0,0|1,0,2]=4 279 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,0,0,0,0,0|0,0,2]=3 280 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,0,0,0,0,0|0,0,2]=3 281 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [1,0,0,0,0,0|3,0,0]=4 282 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,0,0,0,0,0|1,0,1]=3 283 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,0,0,0,0,0|1,0,1]=3 284 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,0,0,0,0,0|0,0,2]=3 285 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,0,0,0,0,0|1,0,1]=3 286 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,0,0,0,0,0|2,0,1]=4 287 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,0,0,0,0,0|2,0,1]=4 288 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,0,0,0,0,0|2,0,1]=4 289 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,0,0,0,0,0|2,0,1]=4 290 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,0,0,0,0,0|1,0,1]=3 291 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,0,0,0,0,0|1,0,1]=3 292 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,0,0,0,0,0|1,0,1]=3 293 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,0,0,0,0,0|0,0,2]=3 294 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,0,0,0,0,0|0,0,2]=3 295 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [1,0,0,0,0,0|1,0,0]=2 296 B7R0.5 CCNC(=O)[C@H](C)O MCULE-9098995292 [1,0,0,0,0,0|2,0,1]=4 297 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,0,0,0,0,0|2,0,1]=4 298 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,0,0,0,0,0|2,0,1]=4 299 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,0,0,0,0,0|2,0,1]=4 300 B7R0.5 CCOC(=O)C(=N)N MCULE-4853735680 [1,0,0,0,0,0|3,0,0]=4 301 B7R0.5 CCOC(=O)C(=N)N MCULE-9212797796 [1,0,0,0,0,0|3,0,0]=4 302 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [1,0,0,0,0,0|2,0,0]=3 303 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [1,0,0,0,0,0|2,0,0]=3 304 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [1,0,0,0,0,0|2,0,0]=3 305 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [1,0,0,0,0,0|1,0,0]=2 306 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [1,0,0,0,0,0|1,0,1]=3 307 B7R0.5 CCOC(=O)C(=S)N MCULE-3285821799 [1,0,0,0,0,0|2,1,0]=4 308 B7R0.5 CCOC(=O)C(C)O MCULE-8057202883 [1,0,0,0,0,0|2,0,1]=4 309 B7R0.5 CCOC(=O)C(C)O MCULE-9679398205 [1,0,0,0,0,0|2,0,1]=4 310 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-3372948910 [1,0,0,0,0,0|2,0,1]=4 311 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-5795033916 [1,0,0,0,0,0|2,0,1]=4 312 B7R0.5 CCOC(=O)[C@H](C)O MCULE-4333545760 [1,0,0,0,0,0|2,0,1]=4 313 B7R0.5 CCOC(=O)[C@H](C)O MCULE-8787861948 [1,0,0,0,0,0|2,0,1]=4 314 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [1,0,0,0,0,0|2,1,0]=4 315 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,0,0,0,0,0|2,0,1]=4 316 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,0,0,0,0,0|2,0,1]=4 317 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,0,0,0,0,0|2,0,1]=4 318 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,0,0,0,0,0|2,0,1]=4 319 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,0,0,0,0,0|2,0,1]=4 320 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,0,0,0,0,0|2,0,1]=4 321 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,0,0,0,0,0|2,0,1]=4 322 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,0,0,0,0,0|2,0,1]=4 323 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,0,0,0,0,0|2,0,1]=4 324 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,0,0,0,0,0|2,0,1]=4 325 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,0,0,0,0,0|1,1,1]=4 326 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,0,0,0,0,0|1,1,1]=4 327 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,0,0,0,0,0|1,1,1]=4 328 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,0,0,0,0,0|1,1,1]=4 329 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,0,0,0,0,0|1,1,1]=4 330 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,0,0,0,0,0|1,1,1]=4 331 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,0,0,0,0,0|1,1,1]=4 332 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,0,0,0,0,0|0,1,2]=4 333 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,0,0,0,0,0|1,1,1]=4 334 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,0,0,0,0,0|1,1,1]=4 335 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,0,0,0,0,0|1,1,1]=4 336 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,0,0,0,0,0|1,1,1]=4 337 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,0,0,0,0,0|1,1,1]=4 338 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,0,0,0,0,0|1,1,1]=4 339 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,0,0,0,0,0|1,1,1]=4 340 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,0,0,0,0,0|1,1,1]=4 341 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [1,0,0,0,0,0|2,1,0]=4 342 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,0,0,0,0,0|1,0,1]=3 343 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,0,0,0,0,0|1,0,1]=3 344 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,0,0,0,0,0|1,0,1]=3 345 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,0,0,0,0,0|1,0,1]=3 346 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,0,0,0,0,0|1,0,1]=3 347 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,0,0,0,0,0|1,1,1]=4 348 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,0,0,0,0,0|1,1,1]=4 349 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,0,0,0,0,0|1,1,1]=4 350 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,0,0,0,0,0|1,1,1]=4 351 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,0,0,0,0,0|1,1,1]=4 352 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,0,0,0,0,0|1,1,1]=4 353 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,0,0,0,0,0|2,0,1]=4 354 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,0,0,0,0,0|2,0,1]=4 355 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,0,0,0,0,0|2,0,1]=4 356 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,0,0,0,0,0|2,0,1]=4 357 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,0,0,0,0,0|1,1,1]=4 358 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,0,0,0,0,0|1,1,1]=4 359 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,0,0,0,0,0|1,0,1]=3 360 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,0,0,0,0,0|1,0,1]=3 361 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,0,0,0,0,0|2,0,1]=4 362 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,0,0,0,0,0|2,0,1]=4 363 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,0,0,0,0,0|2,0,1]=4 364 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,0,0,0,0,0|2,0,1]=4 365 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,0,0,0,0,0|2,0,1]=4 366 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,0,0,0,0,0|2,0,1]=4 367 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,0,0,0,0,0|2,0,1]=4 368 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,0,0,0,0,0|2,0,1]=4 369 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,0,0,0,0,0|2,0,1]=4 370 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,0,0,0,0,0|1,0,2]=4 371 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,0,0,0,0,0|1,0,2]=4 372 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,0,0,0,0,0|2,0,1]=4 373 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,0,0,0,0,0|2,0,1]=4 374 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,0,0,0,0,0|2,0,1]=4 375 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,0,0,0,0,0|2,0,1]=4 376 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,0,0,0,0,0|1,0,2]=4 377 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,0,0,0,0,0|2,0,1]=4 378 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,0,0,0,0,0|2,0,1]=4 379 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,0,0,0,0,0|2,0,1]=4 380 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,0,0,0,0,0|2,0,1]=4 381 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,0,0,0,0,0|2,0,1]=4 383 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,0,0,0,0,0|2,0,1]=4 384 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,0,0,0,0,0|2,0,1]=4 385 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,0,0,0,0,0|2,0,1]=4 386 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,0,0,0,0,0|1,0,2]=4 387 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,0,0,0,0,0|1,0,2]=4 388 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,0,0,0,0,0|2,0,1]=4 389 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,0,0,0,0,0|2,0,1]=4 390 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,0,0,0,0,0|1,1,1]=4 393 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,0,0,0,0,0|1,1,1]=4 394 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,0,0,0,0,0|1,0,1]=3 395 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,0,0,0,0,0|1,0,1]=3 396 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,0,0,0,0,0|2,0,1]=4 397 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,0,0,0,0,0|2,0,1]=4 398 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,0,0,0,0,0|1,1,1]=4 400 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,0,0,0,0,0|1,1,1]=4 401 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,0,0,0,0,0|1,0,1]=3 402 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,0,0,0,0,0|1,0,1]=3 403 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,0,0,0,0,0|0,1,2]=4 405 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,1,0,0,0,0|2,0,1]=4 406 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,1,0,0,0,0|2,0,1]=4 407 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,1,0,0,0,0|1,0,2]=4 408 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,1,0,0,0,0|1,0,2]=4 409 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,1,0,0,0,0|1,0,2]=4 410 B9R0.6 COCC(C)C(C)C(=O)O MCULE-8168198082 [0,1,0,0,0,0|1,1,1]=4 411 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,0,0,0,0|3,0,0]=4 412 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-3833333239 [0,1,0,0,0,0|2,0,0]=3 413 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-5949669555 [0,1,0,0,0,0|2,0,0]=3 414 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,1,0,0,0,0|2,0,1]=4 415 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,1,0,0,0,0|2,0,1]=4 416 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,1,0,0,0,0|2,0,1]=4 417 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,1,0,0,0,0|2,0,1]=4 418 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,1,0,0,0,0|2,0,1]=4 419 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,1,0,0,0,0|2,0,1]=4 420 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,1,0,0,0,0|2,0,1]=4 421 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,1,0,0,0,0|2,0,1]=4 422 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,1,0,0,0,0|2,0,1]=4 423 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,1,0,0,0,0|2,0,1]=4 424 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,1,0,0,0,0|2,0,1]=4 425 B9R0.7 CC(C)CNC(=O)C(=O)O MCULE-4401645596 [0,1,0,0,0,0|2,0,0]=3 426 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,1,0,0,0,0|2,0,1]=4 427 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,1,0,0,0,0|2,0,1]=4 428 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,1,0,0,0,0|2,0,1]=4 429 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,1,0,0,0,0|1,0,2]=4 430 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,1,0,0,0,0|2,0,1]=4 431 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,1,0,0,0,0|2,0,1]=4 432 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,0,0,0,0|1,0,2]=4 433 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,0,0,0,0|1,0,2]=4 434 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,0,0,0,0|1,0,2]=4 435 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,0,0,0,0|1,0,2]=4 436 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,0,0,0,0|1,0,2]=4 437 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,0,0,0,0|1,0,2]=4 438 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,1,0,0,0,0|1,0,2]=4 439 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,1,0,0,0,0|1,0,2]=4 440 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,1,0,0,0,0|1,0,2]=4 441 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,1,0,0,0,0|1,0,2]=4 442 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,1,0,0,0,0|1,0,2]=4 443 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,1,0,0,0,0|1,0,2]=4 444 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,1,0,0,0,0|1,0,2]=4 445 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,1,0,0,0,0|1,0,2]=4 446 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,1,0,0,0,0|1,0,2]=4 447 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,1,0,0,0,0|1,0,2]=4 448 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,1,0,0,0,0|1,0,2]=4 449 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,1,0,0,0,0|1,0,2]=4 450 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,1,0,0,0,0|1,0,2]=4 451 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,1,0,0,0,0|1,0,2]=4 452 B9R0.7 O=C(O)C(=O)NCC(F)F MCULE-1990819986 [0,1,0,0,0,0|3,0,0]=4 453 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,0,0,0,0|2,0,0]=3 454 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,1,0,0,0,0|2,0,1]=4 455 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,1,0,0,0,0|3,0,0]=4 456 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,1,0,0,0,0|2,0,0]=3 457 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-2857630880 [0,1,0,0,0,0|2,0,1]=4 458 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-7607570800 [0,1,0,0,0,0|2,0,1]=4 459 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,0,0,0,0|1,0,2]=4 460 B9R0.8 CCCCC(=O)N(C)OC MCULE-9403851628 [0,1,0,0,0,0|3,0,0]=4 461 B9R0.8 CCCCC(Br)C(=O)OC MCULE-4103872528 [0,1,0,0,0,0|2,0,1]=4 462 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [0,1,0,0,0,0|2,0,1]=4 463 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [0,1,0,0,0,0|2,0,1]=4 464 B9R0.8 CCCCC(S)C(=O)OC MCULE-3094220494 [0,1,0,0,0,0|1,1,1]=4 465 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [0,1,0,0,0,0|2,0,1]=4 466 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [0,1,0,0,0,0|2,0,1]=4 467 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [0,1,0,0,0,0|2,0,1]=4 468 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [0,1,0,0,0,0|2,0,1]=4 469 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [0,1,0,0,0,0|2,0,1]=4 470 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [0,1,0,0,0,0|2,0,1]=4 471 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [0,1,0,0,0,0|2,0,1]=4 472 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [0,1,0,0,0,0|2,0,1]=4 473 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-3612140892 [0,1,0,0,0,0|2,0,1]=4 474 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-5468588566 [0,1,0,0,0,0|2,0,1]=4 475 B9R0.8 CNCCN(C)C(=O)OC MCULE-4007840591 [0,1,0,0,0,0|3,0,0]=4 476 B9R0.8 COC(=O)C(=O)CCCBr MCULE-8546187031 [0,1,0,0,0,0|2,0,0]=3 477 B9R0.8 COC(=O)C(=O)CCCCl MCULE-2958576452 [0,1,0,0,0,0|2,0,0]=3 478 B9R0.8 COC(=O)C(N)CCSC MCULE-4738091605 [0,1,0,0,0,0|1,0,1]=3 479 B9R0.8 COC(=O)C(N)CCSC MCULE-7178342109 [0,1,0,0,0,0|1,0,1]=3 480 B9R0.8 COC(=O)C(O)CCSC MCULE-3114435129 [0,1,0,0,0,0|0,0,2]=3 481 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-3027295067 [0,1,0,0,0,0|1,0,1]=3 482 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4484402389 [0,1,0,0,0,0|1,0,1]=3 483 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4509945770 [0,1,0,0,0,0|1,0,1]=3 484 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-8108341265 [0,1,0,0,0,0|1,0,1]=3 485 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2197835132 [0,1,0,0,0,0|1,0,1]=3 486 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2663127706 [0,1,0,0,0,0|1,0,1]=3 487 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-6414786546 [0,1,0,0,0,0|1,0,1]=3 488 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-7616587728 [0,1,0,0,0,0|1,0,1]=3 489 B9R0.8 COCCC(N)C(=O)OC MCULE-3540159086 [0,1,0,0,0,0|1,1,1]=4 490 B9R0.8 COCCC(N)C(=O)OC MCULE-5893511237 [0,1,0,0,0,0|1,1,1]=4 491 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [0,1,0,0,0,0|1,1,1]=4 492 B9R0.13 CCCC=C(C#N)C(=O)O MCULE-9407639881 [0,1,0,0,0,0|2,0,1]=4 493 B9R0.13 CCCC=C(CC)C(=O)O MCULE-2193027210 [0,1,0,0,0,0|2,0,1]=4 494 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [0,1,0,0,0,0|2,0,1]=4 495 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [0,1,0,0,0,0|2,0,1]=4 496 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [0,1,0,0,0,0|1,0,2]=4 497 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [0,1,0,0,0,0|2,0,1]=4 498 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [0,1,0,0,0,0|1,0,2]=4 499 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [0,1,0,0,0,0|2,0,1]=4 500 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [0,1,0,0,0,0|2,0,1]=4 501 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [0,1,0,0,0,0|2,0,1]=4 502 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [0,1,0,0,0,0|1,0,2]=4 503 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [0,1,0,0,0,0|2,0,1]=4 504 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [0,1,0,0,0,0|2,0,1]=4 505 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [0,1,0,0,0,0|1,0,2]=4 506 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [0,1,0,0,0,0|1,0,2]=4 507 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [0,1,0,0,0,0|2,0,1]=4 508 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [0,1,0,0,0,0|2,0,1]=4 509 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [0,1,0,0,0,0|2,0,1]=4 510 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [0,1,0,0,0,0|2,0,1]=4 511 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [0,1,0,0,0,0|1,0,1]=3 512 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [0,1,0,0,0,0|1,0,1]=3 513 B9R0.13 COC(CCSC)C(=O)O MCULE-2968161259 [0,1,0,0,0,0|0,0,2]=3 514 B9R0.13 CSCCC(N=[Se])C(=O)O MCULE-9506566313 [0,1,0,0,0,0|0,1,1]=3 515 B9R0.42 C=C(CC(=O)NC)C(=O)O MCULE-5432016245 [0,1,0,0,0,0|2,0,1]=4 516 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,1,0,0,0,0|1,1,1]=4 517 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,1,0,0,0,0|2,0,1]=4 518 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,1,0,0,0,0|2,0,1]=4 519 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,1,0,0,0,0|2,0,1]=4 520 B9R0.42 CCC(C)NC(=O)C(=O)O MCULE-6488437367 [0,1,0,0,0,0|2,0,0]=3 521 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [0,1,0,0,0,0|0,1,1]=3 522 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [0,1,0,0,0,0|2,0,1]=4 523 B9R0.47 C=C(C)C(=O)NCCCC MCULE-9430540018 [0,1,0,0,0,0|3,0,0]=4 524 B9R0.47 C=C(C)C(=O)OCCCC MCULE-4077978269 [0,1,0,0,0,0|3,0,0]=4 525 B9R0.47 C=C(C)C(=O)OCCOC MCULE-3036575292 [0,1,0,0,0,0|2,1,0]=4 526 B9R0.47 C=C(C)C(=O)OCCSC MCULE-5094588007 [0,1,0,0,0,0|2,0,0]=3 527 B9R0.47 C=C(F)C(=O)OCCCC MCULE-6284470197 [0,1,0,0,0,0|3,0,0]=4 528 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [0,1,0,0,0,0|1,0,2]=4 529 B9R0.47 CCCCCC(=O)C(=O)C MCULE-3171324169 [0,1,0,0,0,0|2,0,0]=3 530 B9R0.47 CCCCCC(=O)C(=O)O MCULE-2334480456 [0,1,0,0,0,0|1,0,0]=2 531 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [0,1,0,0,0,0|2,0,1]=4 532 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [0,1,0,0,0,0|2,0,1]=4 533 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [0,1,0,0,0,0|2,0,1]=4 534 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [0,1,0,0,0,0|1,0,2]=4 535 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [0,1,0,0,0,0|2,0,1]=4 536 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [0,1,0,0,0,0|2,0,1]=4 537 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [0,1,0,0,0,0|2,0,1]=4 538 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [0,1,0,0,0,0|2,0,1]=4 539 B9R0.47 CCCCOC(=O)C(=O)N MCULE-6311547398 [0,1,0,0,0,0|2,0,0]=3 540 B9R0.47 CCCCOC(=O)C(C)O MCULE-5462693192 [0,1,0,0,0,0|2,0,1]=4 541 B9R0.47 CCCCOC(=O)C(O)O MCULE-4196473277 [0,1,0,0,0,0|1,0,2]=4 542 B9R0.47 CCCCOC(=O)[C@H](C)O MCULE-5423028657 [0,1,0,0,0,0|2,0,1]=4 543 B9R0.47 CCCCOC(=O)[C@H](C)O MCULE-8076552166 [0,1,0,0,0,0|2,0,1]=4 544 B9R0.47 CCCCOC(C)C(=O)O MCULE-2711768240 [0,1,0,0,0,0|2,0,1]=4 545 B9R0.47 CCCCSC(C)C(=O)O MCULE-1538375330 [0,1,0,0,0,0|2,0,1]=4 546 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [0,1,0,0,0,0|2,0,1]=4 547 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [0,1,0,0,0,0|2,0,1]=4 548 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [0,1,0,0,0,0|2,0,1]=4 549 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [0,1,0,0,0,0|2,0,1]=4 550 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [0,1,0,0,0,0|1,0,1]=3 551 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [0,1,0,0,0,0|1,0,1]=3 552 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [0,1,0,0,0,0|1,0,1]=3 553 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [0,1,0,0,0,0|1,0,1]=3 554 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [0,1,0,0,0,0|1,1,1]=4 555 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [0,1,0,0,0,0|1,1,1]=4 556 B9R0.47 COCCNC(=O)C(C)O MCULE-8240150853 [0,1,0,0,0,0|1,1,1]=4 557 B9R0.47 COCCNC(C)C(=O)O MCULE-1762428923 [0,1,0,0,0,0|1,1,1]=4 558 B9R0.47 COCCNC(C)C(=O)O MCULE-8532368084 [0,1,0,0,0,0|1,1,1]=4 559 B9R0.47 COCCOC(C)C(=O)O MCULE-5271320344 [0,1,0,0,0,0|1,1,1]=4 560 B9R0.47 CSCCOC(C)C(=O)O MCULE-2180057271 [0,1,0,0,0,0|1,0,1]=3 561 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [0,1,0,0,0,0|1,0,1]=3 562 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [0,1,0,0,0,0|2,0,1]=4 563 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [0,1,0,0,0,0|2,0,1]=4 564 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [0,1,0,0,0,0|2,0,1]=4 565 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [0,1,0,0,0,0|2,0,1]=4 566 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [0,1,0,0,0,0|2,0,1]=4 567 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [0,1,0,0,0,0|2,0,1]=4 568 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [0,1,0,0,0,0|2,0,1]=4 569 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [0,1,0,0,0,0|2,0,1]=4 570 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [0,1,0,0,0,0|2,0,1]=4 571 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [0,1,0,0,0,0|2,0,1]=4 572 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [0,1,0,0,0,0|2,0,1]=4 573 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [0,1,0,0,0,0|2,0,1]=4 574 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [0,1,0,0,0,0|2,0,1]=4 575 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [0,1,0,0,0,0|2,0,1]=4 576 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [0,1,0,0,0,0|2,0,1]=4 577 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [0,1,0,0,0,0|2,0,1]=4 578 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [0,1,0,0,0,0|2,0,1]=4 579 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [0,1,0,0,0,0|2,0,1]=4 580 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [0,1,0,0,0,0|2,0,1]=4 581 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [0,1,0,0,0,0|2,0,1]=4 582 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [0,1,0,0,0,0|2,0,1]=4 583 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [0,1,0,0,0,0|2,0,1]=4 584 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [0,1,0,0,0,0|2,0,1]=4 585 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [0,1,0,0,0,0|2,0,1]=4 586 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [0,1,0,0,0,0|2,0,1]=4 587 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [0,1,0,0,0,0|2,0,1]=4 588 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [0,1,0,0,0,0|2,0,1]=4 589 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [0,1,0,0,0,0|2,0,1]=4 590 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [0,1,0,0,0,0|2,0,1]=4 591 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [0,1,0,0,0,0|2,0,1]=4 592 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [0,1,0,0,0,0|2,0,1]=4 593 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [0,1,0,0,0,0|1,0,2]=4 594 B9R0.51 CCCCC(F)(F)C(=O)O MCULE-3383573238 [0,1,0,0,0,0|2,0,1]=4 595 B9R0.51 COCCC(C)(C)C(=O)O MCULE-6792174270 [0,1,0,0,0,0|1,1,1]=4 596 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [0,1,0,0,0,0|1,1,1]=4 597 B9R1.5 O=C1CCCCCC1=O MCULE-5149160405 [0,0,0,1,0,0|2,0,0]=3 598 B9R1.5 O=C1CCCCCC1O MCULE-1763055677 [0,0,0,1,0,0|2,0,1]=4 599 B9R1.6 CC(=O)C1=CCCCC1 MCULE-9958324589 [0,0,0,1,0,0|3,0,0]=4 600 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8103583007 [0,0,0,1,0,0|3,0,0]=4 601 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8275418154 [0,0,0,1,0,0|3,0,0]=4 602 B9R1.6 CC(=O)C1CCSCC1 MCULE-1825777359 [0,0,0,1,0,0|2,0,1]=4 603 B9R1.6 O=C(Cl)C1=CCCCC1 MCULE-8228686007 [0,0,0,1,0,0|3,0,0]=4 604 B9R1.6 O=C(Cl)C1=CCOCC1 MCULE-9144118947 [0,0,0,1,0,0|2,1,0]=4 605 B9R1.6 O=C(Cl)C1CCSCC1 MCULE-2089111376 [0,0,0,1,0,0|2,0,1]=4 606 B9R1.6 O=C(Cl)N1CCSCC1 MCULE-7153763312 [0,0,0,1,0,0|3,0,0]=4 607 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,0,0,1,0,0|2,0,0]=3 608 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [0,0,0,1,0,0|1,0,2]=4 609 B9R1.6 O=C(O)C1=CCCNC1 MCULE-7878143035 [0,0,0,1,0,0|3,0,0]=4 610 B9R1.6 O=C(O)C1=CCCNC1 MCULE-9382105537 [0,0,0,1,0,0|3,0,0]=4 611 B9R1.6 O=C(O)C1=CCCOC1 MCULE-4597846034 [0,0,0,1,0,0|3,0,0]=4 612 B9R1.6 O=C(O)C1=CCCSC1 MCULE-6991730217 [0,0,0,1,0,0|3,0,0]=4 613 B9R1.6 O=C(O)C1=CCNCC1 MCULE-7813592729 [0,0,0,1,0,0|2,0,0]=3 614 B9R1.6 O=C(O)C1=CCNCC1 MCULE-9446043448 [0,0,0,1,0,0|2,0,0]=3 615 B9R1.6 O=C(O)C1=CCOCC1 MCULE-8602474600 [0,0,0,1,0,0|1,1,0]=3 616 B9R1.6 O=C(O)C1=COCCC1 MCULE-4203786677 [0,0,0,1,0,0|3,0,0]=4 617 B9R1.6 O=C(O)C1=NNCCC1 MCULE-7500831474 [0,0,0,1,0,0|3,0,0]=4 618 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,0,0,1,0,0|2,0,1]=4 619 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,0,0,1,0,0|2,0,1]=4 620 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,0,0,1,0,0|2,0,1]=4 621 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,0,0,1,0,0|2,0,1]=4 622 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,0,0,1,0,0|2,0,1]=4 623 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,0,0,1,0,0|1,0,2]=4 624 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,0,0,1,0,0|1,1,1]=4 625 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,0,0,1,0,0|2,0,1]=4 626 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,0,0,1,0,0|2,0,1]=4 627 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,0,0,1,0,0|1,1,1]=4 628 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,0,0,1,0,0|1,1,1]=4 629 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,0,0,1,0,0|1,1,1]=4 630 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,0,0,1,0,0|1,0,1]=3 631 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,0,0,1,0,0|1,0,1]=3 632 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,0,0,1,0,0|1,0,1]=3 633 B9R1.6 O=C(O)C1SCSCS1 MCULE-6847986458 [0,0,0,1,0,0|1,1,1]=4 634 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,0,0,1,0,0|3,0,0]=4 635 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,0,0,1,0,0|3,0,0]=4 636 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [0,0,0,1,0,0|3,0,0]=4 637 B9R1.6 O=C(O)N1CCOCC1 MCULE-7938310937 [0,0,0,1,0,0|2,1,0]=4 638 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [0,0,0,1,0,0|2,0,0]=3 639 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,0,0,1,0,0|2,0,1]=4 640 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,0,0,1,0,0|2,0,1]=4 641 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,0,0,1,0,0|2,0,1]=4 642 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,0,0,1,0,0|2,0,1]=4 643 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,0,0,1,0,0|1,0,2]=4 644 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,0,0,1,0,0|1,0,2]=4 645 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,0,0,1,0,0|2,0,1]=4 646 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,0,0,1,0,0|2,0,1]=4 647 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,0,0,1,0,0|2,0,1]=4 648 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,0,0,1,0,0|2,0,1]=4 649 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,0,0,1,0,0|1,0,2]=4 650 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,0,0,1,0,0|1,0,2]=4 651 B9R1.6 OB(O)C1=CCSCC1 MCULE-8736552797 [0,0,0,1,0,0|2,0,1]=4 652 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,0,0,1,0,0|2,0,1]=4 653 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,0,0,1,0,0|2,0,1]=4 654 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,0,0|2,0,1]=4 655 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,0,0|2,0,1]=4 656 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,1,0,0|2,0,1]=4 657 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,0,0,1,0,0|2,0,1]=4 658 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,0,0,1,0,0|2,0,1]=4 659 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,1,0,0|1,0,2]=4 660 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,0,0,1,0,0|2,0,1]=4 661 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,0,0,1,0,0|2,0,1]=4 662 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,0,0,1,0,0|2,0,1]=4 663 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,0,0,1,0,0|2,0,1]=4 664 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,0,0,1,0,0|2,0,1]=4 665 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,0,0,1,0,0|2,0,1]=4 666 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,0,0,1,0,0|2,0,1]=4 667 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,0,0,1,0,0|2,0,1]=4 668 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,0,0,1,0,0|2,0,1]=4 669 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,0,0,1,0,0|2,0,1]=4 670 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,1,0,0|1,0,2]=4 671 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,1,0,0|1,0,2]=4 672 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,0,0,1,0,0|2,0,1]=4 673 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,0,0,1,0,0|2,0,1]=4 674 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,0,0,1,0,0|2,0,1]=4 675 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,0,0,1,0,0|2,0,1]=4 676 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,0,0,1,0,0|2,0,1]=4 677 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,0,0,1,0,0|2,0,1]=4 678 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,0,0,1,0,0|2,0,1]=4 679 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,0,0,1,0,0|2,0,1]=4 680 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,0,0,1,0,0|2,0,1]=4 681 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,0,0,1,0,0|2,0,1]=4 682 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,0,0,1,0,0|3,0,0]=4 683 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,1,0,0|3,0,0]=4 684 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [0,0,0,1,0,0|2,0,1]=4 685 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [0,0,0,1,0,0|2,0,1]=4 686 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [0,0,0,1,0,0|2,0,1]=4 687 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [0,0,0,1,0,0|2,0,1]=4 688 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [0,0,0,1,0,0|1,1,1]=4 689 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,0,0,1,0,0|2,0,1]=4 690 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,0,0,1,0,0|2,0,1]=4 691 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,0,0,1,0,0|2,0,1]=4 692 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [0,0,0,1,0,0|2,0,1]=4 693 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [0,0,0,1,0,0|2,0,1]=4 694 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,0,0,1,0,0|1,1,1]=4 695 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,0,0,1,0,0|1,1,1]=4 696 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,0,0,1,0,0|1,1,1]=4 697 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,0,0,1,0,0|2,0,1]=4 698 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [0,0,0,1,0,0|1,1,1]=4 699 B9R1.110 C=C(C(=O)O)C1CCC1 MCULE-2578265979 [0,0,0,1,0,0|2,0,0]=3 700 B9R1.110 CC(=C1CCC1)C(=O)O MCULE-8904503252 [0,0,0,1,0,0|2,0,1]=4 701 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,0,0,1,0,0|2,0,1]=4 702 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,0,0,1,0,0|2,0,1]=4 703 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-3425038216 [0,0,0,1,0,0|2,0,1]=4 704 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-8368638713 [0,0,0,1,0,0|2,0,1]=4 705 B9R1.110 CC(C(=O)O)C1COC1 MCULE-1438881074 [0,0,0,1,0,0|1,1,1]=4 706 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,0,0,1,0,0|2,0,1]=4 707 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,0,0,1,0,0|2,0,1]=4 708 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [0,0,0,1,0,0|1,1,1]=4 709 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,0,0,1,0,0|2,0,1]=4 710 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,0,0,1,0,0|2,0,1]=4 711 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,0,0,1,0,0|2,0,1]=4 712 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,0,0,1,0,0|2,0,1]=4 713 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [0,0,0,1,0,0|1,1,1]=4 714 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [0,0,0,1,0,0|1,1,1]=4 715 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,0,0,1,0,0|2,0,1]=4 716 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,0,0,1,0,0|2,0,1]=4 717 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,0,0,1,0,0|2,0,1]=4 718 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [0,0,0,1,0,0|1,1,1]=4 719 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [0,0,0,1,0,0|1,1,1]=4 720 B9R1.110 O=C(O)C(=C1CCC1)F MCULE-3335084975 [0,0,0,1,0,0|2,0,1]=4 721 B9R1.110 O=C(O)C(=O)C1CCC1 MCULE-3680158952 [0,0,0,1,0,0|1,0,0]=2 722 B9R1.110 O=C(O)C(=O)N1CCC1 MCULE-2155911842 [0,0,0,1,0,0|2,0,0]=3 723 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,0,0,1,0,0|2,0,1]=4 724 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,0,0,1,0,0|2,0,1]=4 725 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,0,0,1,0,0|1,0,2]=4 726 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,0,0,1,0,0|1,0,2]=4 727 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,0,0,1,0,0|1,0,2]=4 728 B9R1.112 C/C(=C\C1CC1)/C(=O)O MCULE-1913340747 [0,0,0,1,0,0|2,0,1]=4 729 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [0,0,0,1,0,0|2,0,1]=4 730 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,0,0,1,0,0|2,0,1]=4 731 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,0,0,1,0,0|2,0,1]=4 732 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,0,0,1,0,0|2,0,1]=4 733 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,0,0,1,0,0|2,0,1]=4 734 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,0,0,1,0,0|2,0,1]=4 735 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,0,0,1,0,0|2,0,1]=4 736 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,0,0,1,0,0|2,0,1]=4 737 B9R1.112 O=C(O)C(=CC1CC1)F MCULE-7624994357 [0,0,0,1,0,0|2,0,1]=4 738 B9R1.112 O=C(O)C(=O)CC1CC1 MCULE-2914009662 [0,0,0,1,0,0|1,0,0]=2 739 B9R1.112 O=C(O)C(=O)NC1CC1 MCULE-7988086119 [0,0,0,1,0,0|2,0,0]=3 740 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [0,0,0,1,0,0|2,0,1]=4 741 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [0,0,0,1,0,0|1,0,2]=4 742 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [0,0,0,1,0,0|1,0,2]=4 743 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [0,0,0,1,0,0|1,0,2]=4 744 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,0,0,1,0,0|2,0,1]=4 745 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [0,0,0,1,0,0|2,0,1]=4 746 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [0,0,0,1,0,0|2,0,1]=4 747 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [0,0,0,1,0,0|1,1,1]=4 748 B9R1.163 CC1(CSSC1)C(=O)O MCULE-1267186189 [0,0,0,1,0,0|2,0,1]=4 749 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [0,0,0,1,0,0|2,0,1]=4 750 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [0,0,0,1,0,0|2,0,1]=4 751 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [0,0,0,1,0,0|1,1,1]=4 752 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [0,0,0,1,0,0|2,0,1]=4 753 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [0,0,0,1,0,0|2,0,1]=4 754 B9R1.163 NC(=O)C1(CCSC1)N MCULE-1255795217 [0,0,0,1,0,0|2,0,1]=4 755 B9R1.163 NC(=O)C1(CCSC1)O MCULE-2351837625 [0,0,0,1,0,0|1,0,2]=4 756 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,0,0,1,0,0|2,0,1]=4 757 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [0,0,0,1,0,0|2,0,1]=4 758 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [0,0,0,1,0,0|1,1,1]=4 759 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [0,0,0,1,0,0|1,1,1]=4 760 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [0,0,0,1,0,0|1,1,1]=4 761 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [0,0,0,1,0,0|1,0,1]=3 762 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [0,0,0,1,0,0|1,0,1]=3 763 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [0,0,0,1,0,0|1,1,1]=4 764 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [0,0,0,1,0,0|1,1,1]=4 765 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [0,0,0,1,0,0|1,0,1]=3 766 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [0,0,0,1,0,0|1,0,1]=3 767 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [0,0,0,1,0,0|2,0,1]=4 768 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [0,0,0,1,0,0|2,0,1]=4 769 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [0,0,0,1,0,0|1,1,1]=4 770 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [0,0,0,1,0,0|1,1,1]=4 771 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [0,0,0,1,0,0|1,0,1]=3 772 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [0,0,0,1,0,0|1,0,1]=3 773 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,0,0,1,0,0|2,0,1]=4 774 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,0,0,1,0,0|2,0,1]=4 775 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,0,0,1,0,0|1,0,2]=4 776 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [0,0,0,1,0,0|2,0,1]=4 777 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [0,0,0,1,0,0|2,0,1]=4 778 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [0,0,0,1,0,0|1,0,2]=4 779 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [0,0,0,1,0,0|1,0,2]=4 780 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [0,0,0,1,0,0|1,1,1]=4 781 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [0,0,0,1,0,0|0,1,2]=4 782 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [0,0,0,1,0,0|0,0,2]=3 783 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [0,0,0,1,0,0|2,0,1]=4 784 B9R0.4 C#CCNC(=O)CC(=O)O MCULE-1265283777 [0,0,0,0,0,1|2,0,1]=4 785 B9R0.4 C=CCCC(=CC(=O)O)C MCULE-7109579460 [0,0,0,0,0,1|2,0,1]=4 786 B9R0.4 CCCCC(=O)CC(=O)C MCULE-9961207967 [0,0,0,0,0,1|2,0,0]=3 787 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,0,0,0,0,1|2,0,1]=4 788 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,0,0,0,0,1|2,0,1]=4 789 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,0,0,0,0,1|2,0,1]=4 790 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,0,0,0,0,1|1,0,2]=4 791 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,0,0,0,0,1|2,0,1]=4 792 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,0,0,0,0,1|2,0,1]=4 793 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,0,0,0,0,1|2,0,1]=4 794 B9R0.4 CCCNC(=O)CC(=O)C MCULE-2070588179 [0,0,0,0,0,1|3,0,0]=4 795 B9R0.4 CCCOC(=O)CC(=O)C MCULE-3887940392 [0,0,0,0,0,1|3,0,0]=4 796 B9R0.4 CCOCC(=O)CC(=O)C MCULE-7289258771 [0,0,0,0,0,1|3,0,0]=4 797 B9R0.4 COCCN(C)CC(=O)O MCULE-2440763888 [0,0,0,0,0,1|2,1,0]=4 798 B9R0.4 COCCN(C)CC(=O)O MCULE-6319676297 [0,0,0,0,0,1|2,1,0]=4 799 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,0,0,0,0,1|1,0,1]=3 800 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,0,0,0,0,1|1,0,1]=3 801 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,0,0,0,0,1|0,0,2]=3 802 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,0,0,0,0,1|1,0,1]=3 803 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,0,0,0,0,1|1,0,1]=3 804 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,0,0,0,0,1|1,0,1]=3 805 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,0,0,0,0,1|1,0,1]=3 806 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,0,0,0,0,1|1,0,1]=3 807 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,0,0,0,0,1|1,0,1]=3 808 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,0,0,0,0,1|1,0,1]=3 809 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,0,0,0,0,1|1,0,1]=3 810 B9R0.4 NC(=O)NC(=O)CCCCl MCULE-9550011428 [0,0,0,0,0,1|3,0,0]=4 811 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [2,0,0,0,0,0|1,0,1]=4 812 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [2,0,0,0,0,0|1,0,0]=3 813 B6R0.1 C=CC(=O)COC MCULE-1933195578 [2,0,0,0,0,0|1,1,0]=4 814 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [2,0,0,0,0,0|2,0,0]=4 815 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [2,0,0,0,0,0|2,0,0]=4 816 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [2,0,0,0,0,0|1,0,1]=4 817 B6R0.1 CCC(=O)CSC MCULE-3230433182 [2,0,0,0,0,0|1,0,1]=4 818 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [2,0,0,0,0,0|2,0,0]=4 819 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [2,0,0,0,0,0|2,0,0]=4 820 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [2,0,0,0,0,0|1,0,1]=4 821 B6R0.1 CCCC(=NO)C MCULE-6437787263 [2,0,0,0,0,0|2,0,0]=4 822 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [2,0,0,0,0,0|1,0,1]=4 823 B6R0.1 CCCC(=O)CC MCULE-7121523805 [2,0,0,0,0,0|1,0,1]=4 824 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [2,0,0,0,0,0|1,0,1]=4 825 B6R0.1 CCCC(=O)CN MCULE-4663263123 [2,0,0,0,0,0|1,0,1]=4 826 B6R0.1 CCCC(=O)CN MCULE-6326368932 [2,0,0,0,0,0|1,0,1]=4 827 B6R0.1 CCCC(=O)CO MCULE-6518249412 [2,0,0,0,0,0|0,0,1]=3 828 B6R0.1 CCCC(=O)NC MCULE-5770149071 [2,0,0,0,0,0|2,0,0]=4 829 B6R0.1 CCCC(=O)NN MCULE-3660167295 [2,0,0,0,0,0|2,0,0]=4 830 B6R0.1 CCCC(=O)NO MCULE-8710375368 [2,0,0,0,0,0|1,0,0]=3 831 B6R0.1 CCCC(=O)OC MCULE-1092030267 [2,0,0,0,0,0|2,0,0]=4 832 B6R0.1 CCCC(=O)SC MCULE-1490654381 [2,0,0,0,0,0|2,0,0]=4 833 B6R0.1 CCCC(C)C=O MCULE-9756444218 [2,0,0,0,0,0|1,0,1]=4 834 B6R0.1 CCNC(=O)CO MCULE-1386307800 [2,0,0,0,0,0|1,0,1]=4 835 B6R0.1 CCNC(=O)NO MCULE-3264850022 [2,0,0,0,0,0|2,0,0]=4 836 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [2,0,0,0,0,0|1,0,0]=3 837 B6R0.1 CCOC(=O)CO MCULE-8121340151 [2,0,0,0,0,0|1,0,1]=4 838 B6R0.1 CCOC(=O)NO MCULE-4701193610 [2,0,0,0,0,0|2,0,0]=4 839 B6R0.1 CNC(=O)CCS MCULE-2385806944 [2,0,0,0,0,0|2,0,0]=4 840 B6R0.1 COC(=O)CCS MCULE-1695345183 [2,0,0,0,0,0|2,0,0]=4 841 B6R0.1 COC(=O)CSC MCULE-6735536033 [2,0,0,0,0,0|2,0,0]=4 842 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [2,0,0,0,0,0|2,0,0]=4 843 B6R0.1 CSCC(=O)NN MCULE-8151954663 [2,0,0,0,0,0|2,0,0]=4 844 B6R0.1 NNC(=O)CCS MCULE-9322963076 [2,0,0,0,0,0|2,0,0]=4 845 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [2,0,0,0,0,0|2,0,0]=4 846 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [2,0,0,0,0,0|1,0,1]=4 847 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [2,0,0,0,0,0|1,0,1]=4 848 B6R0.4 C=C(C)CCCC MCULE-1010177756 [2,0,0,0,0,0|2,0,0]=4 849 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [2,0,0,0,0,0|1,0,1]=4 850 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [2,0,0,0,0,0|1,0,1]=4 851 B6R0.4 CC(=O)NCCS MCULE-3345813615 [2,0,0,0,0,0|2,0,0]=4 852 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [2,0,0,0,0,0|1,0,1]=4 853 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [2,0,0,0,0,0|0,0,1]=3 854 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [2,0,0,0,0,0|1,0,1]=4 855 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [2,0,0,0,0,0|0,0,2]=4 856 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [2,0,0,0,0,0|1,0,1]=4 857 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [2,0,0,0,0,0|1,0,1]=4 858 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [2,0,0,0,0,0|0,0,1]=3 859 B6R0.4 CCCC=C(C)C MCULE-2110588796 [2,0,0,0,0,0|2,0,0]=4 860 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [2,0,0,0,0,0|1,0,1]=4 861 B6R0.4 CCCCC(=O)C MCULE-3554390184 [2,0,0,0,0,0|1,0,1]=4 862 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [2,0,0,0,0,0|1,0,1]=4 863 B6R0.4 CCCCC(=O)N MCULE-6419483436 [2,0,0,0,0,0|1,0,1]=4 864 B6R0.4 CCCCC(=O)O MCULE-2333640078 [2,0,0,0,0,0|0,0,1]=3 865 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [2,0,0,0,0,0|0,0,2]=4 866 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [2,0,0,0,0,0|2,0,0]=4 867 B6R0.4 CCCNC(=O)C MCULE-5899703886 [2,0,0,0,0,0|2,0,0]=4 868 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [2,0,0,0,0,0|2,0,0]=4 869 B6R0.4 CCCNC(=O)N MCULE-8528844765 [2,0,0,0,0,0|2,0,0]=4 870 B6R0.4 CCCOC(=O)C MCULE-7327042566 [2,0,0,0,0,0|2,0,0]=4 871 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [2,0,0,0,0,0|2,0,0]=4 872 B6R0.4 CCCOC(=O)N MCULE-2760622567 [2,0,0,0,0,0|2,0,0]=4 873 B6R0.4 CCCSC(=O)C MCULE-4329646671 [2,0,0,0,0,0|2,0,0]=4 874 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [2,0,0,0,0,0|2,0,0]=4 875 B6R0.4 CCNCC(=O)O MCULE-5989480216 [2,0,0,0,0,0|1,0,1]=4 876 B6R0.4 CCNCC(=O)O MCULE-8087863397 [2,0,0,0,0,0|1,0,1]=4 877 B6R0.4 CCOCC(=O)O MCULE-1726530898 [2,0,0,0,0,0|1,0,1]=4 878 B6R0.4 CCSCC(=O)O MCULE-7471335718 [2,0,0,0,0,0|1,0,1]=4 879 B6R0.4 CNCCC(=O)N MCULE-1118876220 [2,0,0,0,0,0|2,0,0]=4 880 B6R0.4 CNCCC(=O)N MCULE-6679713144 [2,0,0,0,0,0|2,0,0]=4 881 B6R0.4 CNCCC(=O)O MCULE-3627988097 [2,0,0,0,0,0|1,0,0]=3 882 B6R0.4 CNCCC(=O)O MCULE-9858204248 [2,0,0,0,0,0|1,0,0]=3 883 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [2,0,0,0,0,0|0,1,1]=4 884 B6R0.4 COC=CC(=O)O MCULE-4252899122 [2,0,0,0,0,0|0,1,1]=4 885 B6R0.4 COCCC(=O)C MCULE-5939812376 [2,0,0,0,0,0|0,1,1]=4 886 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [2,0,0,0,0,0|1,1,0]=4 887 B6R0.4 COCCC(=O)N MCULE-7556483675 [2,0,0,0,0,0|1,1,0]=4 888 B6R0.4 COCCC(=O)O MCULE-3436347115 [2,0,0,0,0,0|0,1,0]=3 889 B6R0.4 CON=CC(=O)O MCULE-6800819509 [2,0,0,0,0,0|1,1,0]=4 890 B6R0.4 CSCCC(=N)N MCULE-3926353306 [2,0,0,0,0,0|2,0,0]=4 891 B6R0.4 CSCCC(=N)N MCULE-4451485733 [2,0,0,0,0,0|2,0,0]=4 892 B6R0.4 CSCCC(=O)C MCULE-6178663156 [2,0,0,0,0,0|0,0,1]=3 893 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [2,0,0,0,0,0|1,0,0]=3 894 B6R0.4 CSCCC(=O)N MCULE-7105035733 [2,0,0,0,0,0|1,0,0]=3 895 B6R0.4 CSCCC(=O)O MCULE-9550032941 [2,0,0,0,0,0|0,0,0]=2 896 B6R0.4 CSCCC(C)O MCULE-5934844952 [2,0,0,0,0,0|1,0,1]=4 897 B6R0.4 CSCOC(=O)C MCULE-1498769347 [2,0,0,0,0,0|1,0,1]=4 898 B6R0.4 CSSCC(=O)O MCULE-5829510166 [2,0,0,0,0,0|1,0,0]=3 899 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [2,0,0,0,0,0|2,0,0]=4 900 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [2,0,0,0,0,0|1,0,1]=4 901 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [2,0,0,0,0,0|1,0,1]=4 902 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [2,0,0,0,0,0|1,0,1]=4 903 B6R0.4 NCCCC(=O)O MCULE-3615304273 [2,0,0,0,0,0|1,0,1]=4 904 B6R0.4 NCCCC(=O)O MCULE-7613134021 [2,0,0,0,0,0|1,0,1]=4 905 B6R0.4 NOCCC(=O)O MCULE-1529492904 [2,0,0,0,0,0|1,1,0]=4 906 B6R0.4 NOCCC(=O)O MCULE-6297331357 [2,0,0,0,0,0|1,1,0]=4 907 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [2,0,0,0,0,0|1,0,1]=4 908 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [2,0,0,0,0,0|1,0,1]=4 909 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [2,0,0,0,0,0|0,1,1]=4 910 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [2,0,0,0,0,0|1,0,1]=4 911 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [2,0,0,0,0,0|1,0,1]=4 912 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [2,0,0,0,0,0|0,1,1]=4 913 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [2,0,0,0,0,0|1,0,1]=4 914 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [2,0,0,0,0,0|1,0,1]=4 915 B6R0.4 O=C(O)CCCF MCULE-2415675768 [2,0,0,0,0,0|1,0,1]=4 916 B6R0.4 O=C(O)CCCI MCULE-7794841553 [2,0,0,0,0,0|1,0,1]=4 917 B6R0.4 O=C(O)CCCS MCULE-3352840152 [2,0,0,0,0,0|0,0,1]=3 918 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [2,0,0,0,0,0|2,0,0]=4 919 B6R0.6 C/C=C/CCCC MCULE-6900331316 [2,0,0,0,0,0|2,0,0]=4 920 B6R0.6 C/C=C\CCCC MCULE-8426867799 [2,0,0,0,0,0|2,0,0]=4 921 B6R0.6 CC=CCCCC MCULE-7277981733 [2,0,0,0,0,0|2,0,0]=4 922 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [2,0,0,0,0,0|1,0,1]=4 923 B6R0.6 CCCC=CC=O MCULE-5273169296 [2,0,0,0,0,0|1,0,1]=4 924 B6R0.6 CCCCCC=O MCULE-6770578514 [2,0,0,0,0,0|1,0,1]=4 925 B6R0.6 CCCCNC=O MCULE-8821792924 [2,0,0,0,0,0|2,0,0]=4 926 B6R0.6 CCCCOC=O MCULE-4633421026 [2,0,0,0,0,0|2,0,0]=4 927 B6R0.6 COCCCC=O MCULE-2055914202 [2,0,0,0,0,0|0,1,1]=4 928 B6R0.6 COCCNC=O MCULE-9003279073 [2,0,0,0,0,0|1,1,0]=4 929 B6R0.6 CSCCCC=O MCULE-6353729217 [2,0,0,0,0,0|0,0,1]=3 930 B6R0.6 CSCCCCO MCULE-1045422424 [2,0,0,0,0,0|0,0,2]=4 931 B6R0.6 CSCCN=C=O MCULE-4217751051 [2,0,0,0,0,0|1,0,1]=4 932 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [2,0,0,0,0,0|1,0,1]=4 933 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [2,0,0,0,0,0|1,0,1]=4 934 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [2,0,0,0,0,0|1,0,1]=4 935 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [2,0,0,0,0,0|0,0,2]=4 936 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [2,0,0,0,0,0|2,0,0]=4 937 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [2,0,0,0,0,0|1,0,0]=3 938 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [2,0,0,0,0,0|1,1,0]=4 939 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [2,0,0,0,0,0|1,1,0]=4 940 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [2,0,0,0,0,0|0,0,2]=4 941 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [2,0,0,0,0,0|2,0,0]=4 942 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [2,0,0,0,0,0|2,0,0]=4 943 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [2,0,0,0,0,0|1,0,1]=4 944 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [2,0,0,0,0,0|1,0,1]=4 945 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [2,0,0,0,0,0|1,0,1]=4 946 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [2,0,0,0,0,0|1,0,1]=4 947 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [2,0,0,0,0,0|1,0,1]=4 948 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [2,0,0,0,0,0|0,0,2]=4 949 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [2,0,0,0,0,0|1,0,0]=3 950 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [2,0,0,0,0,0|0,0,0]=2 951 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [2,0,0,0,0,0|0,0,1]=3 952 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [2,0,0,0,0,0|1,0,1]=4 953 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [2,0,0,0,0,0|1,0,1]=4 954 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [2,0,0,0,0,0|1,0,1]=4 955 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [2,0,0,0,0,0|1,0,1]=4 956 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [2,0,0,0,0,0|1,0,1]=4 957 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [2,0,0,0,0,0|1,0,1]=4 958 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [2,0,0,0,0,0|1,0,1]=4 959 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [2,0,0,0,0,0|1,0,1]=4 960 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [2,0,0,0,0,0|1,0,1]=4 961 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [2,0,0,0,0,0|1,0,1]=4 962 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [2,0,0,0,0,0|0,0,2]=4 963 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [2,0,0,0,0,0|0,0,2]=4 964 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [2,0,0,0,0,0|0,1,1]=4 965 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [2,0,0,0,0,0|1,0,1]=4 966 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [2,0,0,0,0,0|1,0,1]=4 967 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [2,0,0,0,0,0|1,0,1]=4 968 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [2,0,0,0,0,0|1,0,1]=4 969 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [2,0,0,0,0,0|1,0,1]=4 970 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [2,0,0,0,0,0|1,0,1]=4 971 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [2,0,0,0,0,0|1,0,1]=4 972 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [2,0,0,0,0,0|1,0,1]=4 973 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [2,0,0,0,0,0|1,0,1]=4 974 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [2,0,0,0,0,0|1,0,1]=4 975 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [2,0,0,0,0,0|0,0,2]=4 976 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [2,0,0,0,0,0|0,0,2]=4 977 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [2,0,0,0,0,0|1,0,1]=4 978 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [2,0,0,0,0,0|1,0,1]=4 979 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [2,0,0,0,0,0|1,0,1]=4 980 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [2,0,0,0,0,0|1,0,1]=4 981 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [2,0,0,0,0,0|1,0,1]=4 982 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [2,0,0,0,0,0|1,0,1]=4 983 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [2,0,0,0,0,0|1,0,1]=4 984 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [2,0,0,0,0,0|1,0,1]=4 985 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [2,0,0,0,0,0|1,0,1]=4 986 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [2,0,0,0,0,0|0,0,2]=4 987 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [2,0,0,0,0,0|0,0,2]=4 988 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [2,0,0,0,0,0|1,0,0]=3 989 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [2,0,0,0,0,0|1,1,0]=4 990 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [2,0,0,0,0,0|1,1,0]=4 991 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [2,0,0,0,0,0|0,1,0]=3 992 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [2,0,0,0,0,0|0,1,1]=4 993 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [2,0,0,0,0,0|1,0,1]=4 994 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [2,0,0,0,0,0|1,0,1]=4 995 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [2,0,0,0,0,0|1,0,1]=4 996 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [2,0,0,0,0,0|1,0,1]=4 997 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [2,0,0,0,0,0|1,0,1]=4 998 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [2,0,0,0,0,0|1,0,1]=4 999 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [2,0,0,0,0,0|1,0,1]=4 1000 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [2,0,0,0,0,0|1,0,1]=4 1001 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [2,0,0,0,0,0|1,0,1]=4 1002 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [2,0,0,0,0,0|1,0,1]=4 1003 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [2,0,0,0,0,0|1,0,1]=4 1004 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [2,0,0,0,0,0|1,0,1]=4 1005 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [2,0,0,0,0,0|1,0,1]=4 1006 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [2,0,0,0,0,0|2,0,0]=4 1007 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [2,0,0,0,0,0|1,0,0]=3 1008 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [2,0,0,0,0,0|1,0,0]=3 1009 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [2,0,0,0,0,0|1,0,0]=3 1010 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [2,0,0,0,0,0|0,1,0]=3 1011 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [2,0,0,0,0,0|0,0,0]=2 1012 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [2,0,0,0,0,0|1,0,1]=4 1013 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [2,0,0,0,0,0|0,0,1]=3 1014 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [2,0,0,0,0,0|0,1,1]=4 1015 B8R0.1 C/C=C/C(=O)CCCC MCULE-6753420308 [1,1,0,0,0,0|2,0,0]=4 1016 B8R0.1 C=CCC(=O)CCCC MCULE-4100882049 [1,1,0,0,0,0|2,0,0]=4 1017 B8R0.1 CC=CC(=O)CCCC MCULE-2281679965 [1,1,0,0,0,0|2,0,0]=4 1018 B8R0.1 CCCCC(=O)COC MCULE-7059597173 [1,1,0,0,0,0|1,0,1]=4 1019 B8R0.1 CCOC(=O)CCSC MCULE-6834820952 [1,1,0,0,0,0|1,0,1]=4 1020 B8R0.1 COCCC(=O)COC MCULE-3111860636 [1,1,0,0,0,0|0,1,1]=4 1021 B8R0.3 CCCC(N)C(=O)NO MCULE-2069838283 [1,1,0,0,0,0|2,0,0]=4 1022 B8R0.3 COC(=O)C(N)CSC MCULE-6702025743 [1,1,0,0,0,0|2,0,0]=4 1023 B8R0.3 COC(=O)C(N)CSC MCULE-7180641175 [1,1,0,0,0,0|2,0,0]=4 1024 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-2532401863 [1,1,0,0,0,0|2,0,0]=4 1025 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-3321267517 [1,1,0,0,0,0|2,0,0]=4 1026 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-5693942065 [1,1,0,0,0,0|2,0,0]=4 1027 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-7597642447 [1,1,0,0,0,0|2,0,0]=4 1028 B8R0.6 C=CC(=O)CCCCC MCULE-9094274880 [1,1,0,0,0,0|2,0,0]=4 1029 B8R0.6 C=CC(=O)NCCCC MCULE-9365109925 [1,1,0,0,0,0|2,0,0]=4 1030 B8R0.6 C=CC(=O)NCCOC MCULE-1939884493 [1,1,0,0,0,0|1,1,0]=4 1031 B8R0.6 C=CC(=O)OCCCC MCULE-6944090543 [1,1,0,0,0,0|2,0,0]=4 1032 B8R0.6 C=CC(=O)OCCOC MCULE-6865078247 [1,1,0,0,0,0|1,1,0]=4 1033 B8R0.6 CCCCCC(=O)NO MCULE-8432990947 [1,1,0,0,0,0|2,0,0]=4 1034 B8R0.6 CCCCOC(=O)C=O MCULE-1707513945 [1,1,0,0,0,0|1,0,0]=3 1035 B8R0.6 CCCCOC(=O)CO MCULE-4016266350 [1,1,0,0,0,0|1,0,1]=4 1036 B8R0.6 CCSCCC(=O)OC MCULE-5773388371 [1,1,0,0,0,0|2,0,0]=4 1037 B8R0.6 COC(=O)CCCSC MCULE-7320944174 [1,1,0,0,0,0|2,0,0]=4 1038 B8R0.19 COC(=O)CC(C)SC MCULE-9425584839 [1,1,0,0,0,0|2,0,0]=4 1039 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [1,1,0,0,0,0|1,0,1]=4 1040 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [1,1,0,0,0,0|1,0,1]=4 1041 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,1,0,0,0,0|1,0,1]=4 1042 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [1,1,0,0,0,0|1,0,1]=4 1043 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [1,1,0,0,0,0|1,0,1]=4 1044 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [1,1,0,0,0,0|1,0,1]=4 1045 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [1,1,0,0,0,0|1,0,1]=4 1046 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [1,1,0,0,0,0|1,0,1]=4 1047 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [1,1,0,0,0,0|1,0,1]=4 1048 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [1,1,0,0,0,0|1,0,1]=4 1049 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [1,1,0,0,0,0|1,0,1]=4 1050 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [1,1,0,0,0,0|1,0,1]=4 1051 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [1,1,0,0,0,0|1,0,1]=4 1052 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [1,1,0,0,0,0|1,0,1]=4 1053 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [1,1,0,0,0,0|1,0,1]=4 1054 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [1,1,0,0,0,0|0,1,1]=4 1055 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [1,1,0,0,0,0|0,1,1]=4 1056 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [1,1,0,0,0,0|1,0,1]=4 1057 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [1,1,0,0,0,0|1,0,1]=4 1058 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [1,1,0,0,0,0|2,0,0]=4 1059 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [1,1,0,0,0,0|1,0,0]=3 1060 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [1,1,0,0,0,0|1,0,1]=4 1061 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [1,1,0,0,0,0|1,0,1]=4 1062 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [1,1,0,0,0,0|2,0,0]=4 1063 B8R0.7 CCCCC=CC(=O)Cl MCULE-3883159938 [1,1,0,0,0,0|2,0,0]=4 1064 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [1,1,0,0,0,0|1,0,0]=3 1065 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [1,1,0,0,0,0|1,0,1]=4 1066 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [1,1,0,0,0,0|1,0,1]=4 1067 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [1,1,0,0,0,0|1,0,1]=4 1068 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [1,1,0,0,0,0|1,0,1]=4 1069 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [1,1,0,0,0,0|1,0,1]=4 1070 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [1,1,0,0,0,0|1,0,1]=4 1071 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [1,1,0,0,0,0|1,0,1]=4 1072 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [1,1,0,0,0,0|1,0,1]=4 1073 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [1,1,0,0,0,0|1,0,1]=4 1074 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [1,1,0,0,0,0|1,0,1]=4 1075 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [1,1,0,0,0,0|1,0,1]=4 1076 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [1,1,0,0,0,0|0,1,1]=4 1077 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [1,1,0,0,0,0|1,0,1]=4 1078 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [1,1,0,0,0,0|1,0,1]=4 1079 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [1,1,0,0,0,0|1,0,1]=4 1080 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [1,1,0,0,0,0|0,1,1]=4 1081 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [1,1,0,0,0,0|0,1,1]=4 1082 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [1,1,0,0,0,0|0,1,1]=4 1083 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [1,1,0,0,0,0|0,1,1]=4 1084 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [1,1,0,0,0,0|0,1,1]=4 1085 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [1,1,0,0,0,0|0,0,1]=3 1086 B8R0.7 CSCCCOC(=O)C MCULE-4403232519 [1,1,0,0,0,0|1,0,1]=4 1087 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [1,1,0,0,0,0|0,0,1]=3 1088 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [1,1,0,0,0,0|0,0,1]=3 1089 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [1,1,0,0,0,0|0,0,1]=3 1090 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [1,1,0,0,0,0|0,0,1]=3 1091 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [1,1,0,0,0,0|1,0,1]=4 1092 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [1,1,0,0,0,0|1,0,1]=4 1093 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [1,1,0,0,0,0|1,0,1]=4 1094 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [1,1,0,0,0,0|1,0,1]=4 1095 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [1,1,0,0,0,0|1,0,1]=4 1096 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [1,1,0,0,0,0|1,0,1]=4 1097 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [1,1,0,0,0,0|1,0,1]=4 1098 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [1,1,0,0,0,0|1,0,1]=4 1099 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [1,1,0,0,0,0|1,0,1]=4 1100 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [1,1,0,0,0,0|1,0,1]=4 1101 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [1,1,0,0,0,0|1,0,1]=4 1102 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [1,1,0,0,0,0|1,0,1]=4 1103 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,1,0,0,0,0|1,0,1]=4 1104 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2726508724 [1,1,0,0,0,0|1,0,1]=4 1105 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2945466855 [1,1,0,0,0,0|1,0,1]=4 1106 B8R0.28 CN(C)CC=CC(=O)O MCULE-5265576987 [1,1,0,0,0,0|1,0,1]=4 1107 B8R0.28 CN(C)CC=CC(=O)O MCULE-6262530852 [1,1,0,0,0,0|1,0,1]=4 1108 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [1,1,0,0,0,0|1,0,1]=4 1109 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [1,1,0,0,0,0|1,0,1]=4 1110 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [1,1,0,0,0,0|0,0,0]=2 1111 B8R0.2 CCC(C)C(=O)C(=O)[O-] MCULE-9099284149 [1,1,0,0,0,0|0,0,1]=3 1112 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [1,1,0,0,0,0|1,0,1]=4 1113 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [1,1,0,0,0,0|1,0,1]=4 1114 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [1,1,0,0,0,0|1,0,1]=4 1115 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [1,1,0,0,0,0|0,0,2]=4 1116 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [1,1,0,0,0,0|1,0,1]=4 1117 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [1,1,0,0,0,0|1,0,1]=4 1118 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [1,1,0,0,0,0|1,0,1]=4 1119 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [1,1,0,0,0,0|1,0,1]=4 1120 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [1,1,0,0,0,0|1,0,1]=4 1121 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [1,1,0,0,0,0|1,0,1]=4 1122 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [1,1,0,0,0,0|1,0,1]=4 1123 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [1,1,0,0,0,0|1,0,1]=4 1124 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [1,1,0,0,0,0|1,0,1]=4 1125 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [1,1,0,0,0,0|1,0,1]=4 1126 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [1,1,0,0,0,0|1,0,1]=4 1127 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [1,1,0,0,0,0|1,0,1]=4 1128 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [1,1,0,0,0,0|1,0,1]=4 1129 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [1,1,0,0,0,0|1,0,1]=4 1130 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [1,1,0,0,0,0|1,0,1]=4 1131 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [1,1,0,0,0,0|0,0,2]=4 1132 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [1,1,0,0,0,0|1,0,1]=4 1133 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [1,1,0,0,0,0|1,0,1]=4 1134 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [1,1,0,0,0,0|1,0,1]=4 1135 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [1,1,0,0,0,0|1,0,1]=4 1136 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [1,1,0,0,0,0|0,0,2]=4 1137 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [1,1,0,0,0,0|0,0,2]=4 1138 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [1,1,0,0,0,0|0,0,2]=4 1139 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [1,1,0,0,0,0|1,0,1]=4 1140 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [1,1,0,0,0,0|1,0,1]=4 1141 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [1,1,0,0,0,0|1,0,1]=4 1142 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [1,1,0,0,0,0|1,0,1]=4 1143 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [1,1,0,0,0,0|1,0,1]=4 1144 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [1,1,0,0,0,0|1,0,1]=4 1145 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [1,1,0,0,0,0|1,0,1]=4 1146 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [1,1,0,0,0,0|0,0,2]=4 1147 B8R0.12 CCCC(F)(F)C(=O)O MCULE-9926038462 [1,1,0,0,0,0|1,0,1]=4 1148 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [1,1,0,0,0,0|1,0,1]=4 1149 B8R0.12 CCOP(=O)(O)C(=O)O MCULE-8851144535 [1,1,0,0,0,0|2,0,0]=4 1150 B8R0.12 CSCC(C)(C)C(=O)O MCULE-8010872211 [1,1,0,0,0,0|1,0,1]=4 1151 B8R0.14 CCOC(=O)P(=O)(O)O MCULE-4584710421 [1,1,0,0,0,0|2,0,0]=4 1152 B8R0.15 CCCC(=NO)C(=O)N MCULE-4974052536 [1,1,0,0,0,0|1,0,1]=4 1153 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [1,1,0,0,0,0|1,0,1]=4 1154 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [1,1,0,0,0,0|1,0,1]=4 1155 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [1,1,0,0,0,0|0,0,2]=4 1156 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [1,1,0,0,0,0|1,0,1]=4 1157 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [1,1,0,0,0,0|1,0,1]=4 1158 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [1,1,0,0,0,0|1,0,1]=4 1159 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [1,1,0,0,0,0|0,0,2]=4 1160 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [1,1,0,0,0,0|0,0,2]=4 1161 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [1,1,0,0,0,0|1,0,1]=4 1162 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [1,1,0,0,0,0|1,0,1]=4 1163 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [1,1,0,0,0,0|0,0,2]=4 1164 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [1,1,0,0,0,0|0,0,2]=4 1165 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [1,1,0,0,0,0|1,0,1]=4 1166 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [1,1,0,0,0,0|1,0,1]=4 1167 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [1,1,0,0,0,0|1,0,1]=4 1168 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [1,1,0,0,0,0|0,0,2]=4 1169 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [1,1,0,0,0,0|1,0,1]=4 1170 B8R0.23 C/C(=C\C(C)C)/C(=O)O MCULE-7989780609 [1,1,0,0,0,0|1,0,1]=4 1171 B8R0.23 C=C(CC(C)C)C(=O)C MCULE-3118173847 [1,1,0,0,0,0|2,0,0]=4 1172 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [1,1,0,0,0,0|1,0,0]=3 1173 B8R0.23 C=C(CN(C)C)C(=O)O MCULE-9526642183 [1,1,0,0,0,0|2,0,0]=4 1174 B8R0.23 CC(=O)C(=O)CC(C)C MCULE-9490612135 [1,1,0,0,0,0|1,0,0]=3 1175 B8R0.23 CC(=O)C(=O)OC(C)C MCULE-5022020155 [1,1,0,0,0,0|2,0,0]=4 1176 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [1,1,0,0,0,0|0,0,0]=2 1177 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-1379368650 [1,1,0,0,0,0|0,0,1]=3 1178 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-8698784345 [1,1,0,0,0,0|0,0,1]=3 1179 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [1,1,0,0,0,0|1,0,1]=4 1180 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [1,1,0,0,0,0|1,0,1]=4 1181 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [1,1,0,0,0,0|1,0,1]=4 1182 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [1,1,0,0,0,0|1,0,1]=4 1183 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [1,1,0,0,0,0|1,0,1]=4 1184 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [1,1,0,0,0,0|1,0,1]=4 1185 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [1,1,0,0,0,0|1,0,1]=4 1186 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [1,1,0,0,0,0|0,0,2]=4 1187 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [1,1,0,0,0,0|0,0,2]=4 1188 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [1,1,0,0,0,0|1,0,1]=4 1189 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [1,1,0,0,0,0|1,0,1]=4 1190 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [1,1,0,0,0,0|1,0,1]=4 1191 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [1,1,0,0,0,0|1,0,1]=4 1192 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [1,1,0,0,0,0|0,0,2]=4 1193 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [1,1,0,0,0,0|0,0,2]=4 1194 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [1,1,0,0,0,0|1,0,1]=4 1195 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [1,1,0,0,0,0|1,0,1]=4 1196 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [1,1,0,0,0,0|1,0,1]=4 1197 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [1,1,0,0,0,0|1,0,1]=4 1198 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [1,1,0,0,0,0|1,0,1]=4 1199 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [1,1,0,0,0,0|1,0,1]=4 1200 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [1,1,0,0,0,0|1,0,1]=4 1201 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [1,1,0,0,0,0|0,0,2]=4 1202 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [1,1,0,0,0,0|0,0,2]=4 1203 B8R0.23 CC(C)NC(=O)C(=O)O MCULE-3351257571 [1,1,0,0,0,0|1,0,0]=3 1204 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [1,1,0,0,0,0|1,0,1]=4 1205 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [1,1,0,0,0,0|1,0,1]=4 1206 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [1,1,0,0,0,0|0,1,1]=4 1207 B10R0.6 CCCCCC(=O)CC(=O)C MCULE-8236892696 [0,1,0,0,0,1|2,0,0]=4 1208 B10R0.6 CCCCNC(=O)CC(=O)C MCULE-6483428410 [0,1,0,0,0,1|2,0,0]=4 1209 B10R0.6 CCCCOC(=O)CC(=O)C MCULE-4579556378 [0,1,0,0,0,1|2,0,0]=4 1210 B10R0.6 COCCOC(=O)CC(=O)C MCULE-1029750136 [0,1,0,0,0,1|1,1,0]=4 1211 B10R0.18 C#CCCC(=O)CC(=O)OC MCULE-5087679882 [0,1,0,0,0,1|1,0,1]=4 1212 B10R0.18 C=CCCC(=O)CC(=O)OC MCULE-3364813625 [0,1,0,0,0,1|1,0,1]=4 1213 B10R0.18 CCCCC(=O)CC(=O)OC MCULE-2441269867 [0,1,0,0,0,1|1,0,0]=3 1214 B10R0.18 CCOCC(=O)CC(=O)OC MCULE-5783671912 [0,1,0,0,0,1|2,0,0]=4 1215 B10R0.18 COCCC(=O)CC(=O)OC MCULE-4389970400 [0,1,0,0,0,1|0,1,0]=3 1216 B10R0.44 CCC(C)CC(=CC(=O)O)C MCULE-1620434072 [0,1,0,0,0,1|2,0,0]=4 1217 B10R0.122 CCCCS(=O)(=O)CC(=O)O MCULE-9125747616 [0,1,0,0,0,1|2,0,0]=4 1218 B10R0.122 COCCS(=O)(=O)CC(=O)O MCULE-2594167795 [0,1,0,0,0,1|1,1,0]=4 1219 B10R0.92 CC(C)(C)CCC(=O)C(=O)O MCULE-9335475635 [0,2,0,0,0,0|1,0,0]=3 1220 B10R0.92 CP(=O)(O)CCC(=O)C(=O)O MCULE-1980572351 [0,2,0,0,0,0|1,0,0]=3 1221 B10R0.92 O=C(O)C(=O)CCC(F)(F)F MCULE-4713528394 [0,2,0,0,0,0|2,0,0]=4 1222 B10R0.19 CCCCC(=O)C(=O)OCC MCULE-8276085890 [0,2,0,0,0,0|1,0,0]=3 1223 B10R0.19 CCCNC(=O)C(=O)OCC MCULE-9964881273 [0,2,0,0,0,0|2,0,0]=4 1224 B10R0.19 CCOC(=O)C(=O)CCC#N MCULE-6951259135 [0,2,0,0,0,0|2,0,0]=4 1225 B10R0.19 CCOC(=O)C(=O)NCOC MCULE-2485816788 [0,2,0,0,0,0|1,1,0]=4 1226 B10R0.19 CCOC(=O)C(N)CCSC MCULE-3027327514 [0,2,0,0,0,0|1,0,1]=4 1227 B10R0.19 CCOC(=O)C(N)CCSC MCULE-5873613959 [0,2,0,0,0,0|1,0,1]=4 1228 B10R0.19 CCOC(=O)C(N)CCSC MCULE-6683307625 [0,2,0,0,0,0|1,0,1]=4 1229 B10R0.19 CCOC(=O)C(N)CCSC MCULE-9963255300 [0,2,0,0,0,0|1,0,1]=4 1230 B10R0.19 CCOC(=O)C(O)CCSC MCULE-5087273039 [0,2,0,0,0,0|0,0,2]=4 1231 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-2603296581 [0,2,0,0,0,0|1,0,1]=4 1232 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6126904564 [0,2,0,0,0,0|1,0,1]=4 1233 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6254414481 [0,2,0,0,0,0|1,0,1]=4 1234 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6350339090 [0,2,0,0,0,0|1,0,1]=4 1235 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-4024487209 [0,2,0,0,0,0|1,0,1]=4 1236 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-4906972094 [0,2,0,0,0,0|1,0,1]=4 1237 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-5780620225 [0,2,0,0,0,0|1,0,1]=4 1238 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-6331108043 [0,2,0,0,0,0|1,0,1]=4 1239 B10R0.46 CCC(=O)CC(=O)C(=O)OC MCULE-9893149260 [0,2,0,0,0,0|1,0,1]=4 1240 B10R0.46 COC(=O)CC(=O)C(=O)OC MCULE-3316439224 [0,2,0,0,0,0|0,1,1]=4 1241 B10R0.83 COCCNC(=O)C(=O)NN MCULE-2227670032 [0,2,0,0,0,0|1,1,0]=4 1242 B10R0.17 CCCCC(C(=O)O)C(=O)O MCULE-4493343687 [0,2,0,0,0,0|1,0,1]=4 1243 B10R0.17 CSCCC(C(=O)O)N(C)C MCULE-9926404769 [0,2,0,0,0,0|1,0,1]=4 1244 B10R0.17 CSCC[C@@H](C(=O)O)N(C)C MCULE-5085715326 [0,2,0,0,0,0|1,0,1]=4 1245 B10R0.17 CSCC[C@H](C(=O)O)N(C)C MCULE-7026121281 [0,2,0,0,0,0|1,0,1]=4 1246 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-4509479689 [0,2,0,0,0,0|1,0,1]=4 1247 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-9386007072 [0,2,0,0,0,0|1,0,1]=4 1248 B10R0.88 CSCCC(NC=O)C(=O)O MCULE-1321874627 [0,2,0,0,0,0|0,0,1]=3 1249 B10R0.88 CSCC[C@@H](N=[N+]=[N-])C(=O)O MCULE-4913744617 [0,2,0,0,0,0|1,0,1]=4 1250 B10R0.88 CSCC[C@@H](N=[N+]=[N-])C(=O)O MCULE-6869218736 [0,2,0,0,0,0|1,0,1]=4 1251 B10R0.88 CSCC[C@@H](NC=O)C(=O)O MCULE-1193383828 [0,2,0,0,0,0|0,0,1]=3 1252 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O MCULE-3349550763 [0,2,0,0,0,0|1,0,1]=4 1253 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O MCULE-5583634379 [0,2,0,0,0,0|1,0,1]=4 1254 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-6184653272 [0,2,0,0,0,0|0,0,1]=3 1255 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-8050291491 [0,2,0,0,0,0|0,0,1]=3 1256 B10R0.67 CCC(C)(C)NC(=O)C(=O)O MCULE-5676334997 [0,2,0,0,0,0|2,0,0]=4 1257 B10R0.72 CCC(CC)NC(=O)C(=O)O MCULE-8448792347 [0,2,0,0,0,0|2,0,0]=4 1258 B10R0.75 N[C@@H](CCSCCO)C(=O)O MCULE-2974080305 [0,2,0,0,0,0|1,0,1]=4 1259 B10R0.75 O=C(O)C(=O)CCCCCCl MCULE-5263490690 [0,2,0,0,0,0|1,0,0]=3 1260 B10R0.98 CC(=O)C(=O)OCCC(C)C MCULE-5044572673 [0,2,0,0,0,0|2,0,0]=4 1261 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,2,0,0,0,0|1,0,1]=4 1262 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [1,0,0,1,0,0|1,0,1]=4 1263 B8R1.1 COC1C=CC(=O)C1 MCULE-3904672515 [1,0,0,1,0,0|1,1,0]=4 1264 B8R1.2 O=CC1=CCCCC1 MCULE-6209420256 [1,0,0,1,0,0|2,0,0]=4 1265 B8R1.2 O=CC1CCSCC1 MCULE-4728594373 [1,0,0,1,0,0|1,0,1]=4 1266 B8R1.2 ON=C1CCSCC1 MCULE-4883904053 [1,0,0,1,0,0|2,0,0]=4 1267 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [1,0,0,1,0,0|2,0,0]=4 1268 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [1,0,0,1,0,0|1,0,1]=4 1269 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [1,0,0,1,0,0|1,0,1]=4 1270 B8R1.5 O=C1CCCCC1=O MCULE-5770827130 [1,0,0,1,0,0|1,0,0]=3 1271 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [1,0,0,1,0,0|1,0,1]=4 1272 B8R1.5 O=C1CCCNC1=O MCULE-3369124759 [1,0,0,1,0,0|2,0,0]=4 1273 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [1,0,0,1,0,0|0,1,1]=4 1274 B8R1.22 O=C1C=CCCCC1 MCULE-5281461360 [1,0,0,1,0,0|2,0,0]=4 1275 B8R1.22 O=C1CCCSCC1 MCULE-9359592851 [1,0,0,1,0,0|1,0,1]=4 1276 B8R1.22 O=C1CCSCCN1 MCULE-9445131358 [1,0,0,1,0,0|2,0,0]=4 1277 B8R1.38 O=C(NO)C1CCC1 MCULE-5722727330 [1,0,0,1,0,0|2,0,0]=4 1278 B8R1.40 C=CC(=O)CC1CC1 MCULE-2286262087 [1,0,0,1,0,0|2,0,0]=4 1279 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [1,0,0,1,0,0|2,0,0]=4 1280 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [1,0,0,1,0,0|2,0,0]=4 1281 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [1,0,0,1,0,0|1,0,0]=3 1282 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [1,0,0,1,0,0|1,0,0]=3 1283 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [1,0,0,1,0,0|2,0,0]=4 1284 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [1,0,0,1,0,0|2,0,0]=4 1285 B8R1.50 CC1=C(C(=O)SC1)O MCULE-2081484623 [1,0,0,1,0,0|2,0,0]=4 1286 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [1,0,0,1,0,0|1,0,0]=3 1287 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [1,0,0,1,0,0|1,0,0]=3 1288 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [1,0,0,1,0,0|1,0,1]=4 1289 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [1,0,0,1,0,0|1,0,1]=4 1290 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [1,0,0,1,0,0|2,0,0]=4 1291 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [1,0,0,1,0,0|1,0,1]=4 1292 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [1,0,0,1,0,0|1,0,1]=4 1293 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [1,0,0,1,0,0|1,0,1]=4 1294 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [1,0,0,1,0,0|1,0,1]=4 1295 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [1,0,0,1,0,0|0,1,1]=4 1296 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [1,0,0,1,0,0|1,0,1]=4 1297 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [1,0,0,1,0,0|1,0,1]=4 1298 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [1,0,0,1,0,0|1,0,1]=4 1299 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [1,0,0,1,0,0|0,1,1]=4 1300 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [1,0,0,1,0,0|0,0,1]=3 1301 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [1,0,0,1,0,0|0,1,1]=4 1302 B8R1.7 O=C(O)C1=CSCS1 MCULE-2399429418 [1,0,0,1,0,0|1,0,1]=4 1303 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [1,0,0,1,0,0|2,0,0]=4 1304 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [1,0,0,1,0,0|1,1,0]=4 1305 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [1,0,0,1,0,0|1,0,1]=4 1306 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [1,0,0,1,0,0|1,0,1]=4 1307 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [1,0,0,1,0,0|1,0,1]=4 1308 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [1,0,0,1,0,0|1,0,1]=4 1309 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [1,0,0,1,0,0|0,1,1]=4 1310 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [1,0,0,1,0,0|0,0,1]=3 1311 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [1,0,0,1,0,0|1,0,1]=4 1312 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [1,0,0,1,0,0|1,0,1]=4 1313 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [1,0,0,1,0,0|1,0,1]=4 1314 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [1,0,0,1,0,0|2,0,0]=4 1315 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [1,0,0,1,0,0|1,0,1]=4 1316 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [1,0,0,1,0,0|1,0,1]=4 1317 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [1,0,0,1,0,0|1,0,1]=4 1318 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [1,0,0,1,0,0|1,0,1]=4 1319 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [1,0,0,1,0,0|0,1,1]=4 1320 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [1,0,0,1,0,0|0,1,1]=4 1321 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [1,0,0,1,0,0|1,0,1]=4 1322 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [1,0,0,1,0,0|1,0,1]=4 1323 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [1,0,0,1,0,0|1,0,1]=4 1324 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [1,0,0,1,0,0|1,0,1]=4 1325 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [1,0,0,1,0,0|1,0,1]=4 1326 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [1,0,0,1,0,0|1,0,1]=4 1327 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [1,0,0,1,0,0|0,1,1]=4 1328 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [1,0,0,1,0,0|0,1,1]=4 1329 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [1,0,0,1,0,0|1,0,1]=4 1330 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [1,0,0,1,0,0|1,0,1]=4 1331 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [1,0,0,1,0,0|1,0,1]=4 1332 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [1,0,0,1,0,0|1,0,1]=4 1333 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [1,0,0,1,0,0|1,0,1]=4 1334 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [1,0,0,1,0,0|1,0,1]=4 1335 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [1,0,0,1,0,0|1,0,1]=4 1336 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [1,0,0,1,0,0|1,0,1]=4 1337 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [1,0,0,1,0,0|1,0,1]=4 1338 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [1,0,0,1,0,0|1,0,1]=4 1339 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [1,0,0,1,0,0|1,0,1]=4 1340 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [1,0,0,1,0,0|1,0,1]=4 1341 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [1,0,0,1,0,0|1,0,1]=4 1342 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [1,0,0,1,0,0|1,0,1]=4 1343 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [1,0,0,1,0,0|1,0,1]=4 1344 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [1,0,0,1,0,0|0,1,1]=4 1345 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [1,0,0,1,0,0|0,0,1]=3 1346 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [1,0,0,1,0,0|1,0,1]=4 1347 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [1,0,0,1,0,0|1,0,1]=4 1348 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [1,0,0,1,0,0|1,0,1]=4 1349 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [1,0,0,1,0,0|0,1,1]=4 1350 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [1,0,0,1,0,0|1,0,1]=4 1351 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [1,0,0,1,0,0|1,0,1]=4 1352 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [1,0,0,1,0,0|0,1,1]=4 1353 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [1,0,0,1,0,0|1,0,0]=3 1354 B8R1.18 CC1CC(=O)C(O1)C MCULE-9648127298 [1,0,0,1,0,0|1,0,1]=4 1355 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [1,0,0,1,0,0|1,0,1]=4 1356 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [1,0,0,1,0,0|1,0,1]=4 1357 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [1,0,0,1,0,0|1,0,1]=4 1358 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [1,0,0,1,0,0|1,0,1]=4 1359 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [1,0,0,1,0,0|1,0,1]=4 1360 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [1,0,0,1,0,0|1,0,1]=4 1361 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [1,0,0,1,0,0|1,0,1]=4 1362 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [1,0,0,1,0,0|1,0,1]=4 1363 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [1,0,0,1,0,0|1,0,1]=4 1364 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [1,0,0,1,0,0|1,0,1]=4 1365 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [1,0,0,1,0,0|1,0,1]=4 1366 B8R1.54 C=C(C(=O)O)C1CC1 MCULE-9531805422 [1,0,0,1,0,0|1,0,0]=3 1367 B8R1.54 CC(=C1CC1)C(=O)O MCULE-5864255450 [1,0,0,1,0,0|1,0,1]=4 1368 B8R1.54 CC(=O)C(=O)C1CC1 MCULE-6206613019 [1,0,0,1,0,0|1,0,0]=3 1369 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [1,0,0,1,0,0|1,0,1]=4 1370 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [1,0,0,1,0,0|1,0,1]=4 1371 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [1,0,0,1,0,0|1,0,1]=4 1372 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [1,0,0,1,0,0|1,0,1]=4 1373 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [1,0,0,1,0,0|1,0,1]=4 1374 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [1,0,0,1,0,0|1,0,1]=4 1375 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [1,0,0,1,0,0|1,0,1]=4 1376 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [1,0,0,1,0,0|0,0,0]=2 1377 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [1,0,0,1,0,0|1,0,1]=4 1378 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [1,0,0,1,0,0|0,0,2]=4 1379 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [1,0,0,1,0,0|0,0,2]=4 1380 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [1,0,0,1,0,0|0,0,2]=4 1381 B8R1.54 O=C([O-])C(=O)C1CC1 MCULE-3173453359 [1,0,0,1,0,0|0,0,1]=3 1382 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [1,0,0,1,0,0|1,0,1]=4 1383 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [1,0,0,1,0,0|1,0,1]=4 1384 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [1,0,0,1,0,0|1,0,1]=4 1385 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [1,0,0,1,0,0|1,0,1]=4 1386 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [1,0,0,1,0,0|1,0,1]=4 1387 B8R1.78 O=C(O)C1(CCC1)Br MCULE-2468093858 [1,0,0,1,0,0|1,0,1]=4 1388 B8R1.78 O=C(O)C1(CCC1)F MCULE-5784376163 [1,0,0,1,0,0|1,0,1]=4 1389 B8R1.78 O=C(O)C1(CCC1)O MCULE-3418659917 [1,0,0,1,0,0|0,0,2]=4 1390 B10R1.8 CCC1CC(=O)NC(=O)C1 MCULE-5960815996 [0,0,0,1,0,1|2,0,0]=4 1391 B10R1.18 O=C(O)C=C1CCCCC1 MCULE-2830279446 [0,0,0,1,0,1|2,0,0]=4 1392 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-2946232230 [0,0,0,1,0,1|2,0,0]=4 1393 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-9183556093 [0,0,0,1,0,1|2,0,0]=4 1394 B10R1.18 O=C(O)C=C1CCOCC1 MCULE-2596143817 [0,0,0,1,0,1|1,1,0]=4 1395 B10R1.18 O=C(O)C=C1CCSCC1 MCULE-3222993494 [0,0,0,1,0,1|1,0,0]=3 1396 B10R1.18 O=C(O)CC1=CCCCC1 MCULE-9909477927 [0,0,0,1,0,1|2,0,0]=4 1397 B10R1.18 O=C(O)CC1=CCOCC1 MCULE-9800538477 [0,0,0,1,0,1|1,1,0]=4 1398 B10R1.18 O=C(O)CC1CCSCC1 MCULE-3567762107 [0,0,0,1,0,1|1,0,1]=4 1399 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9107067895 [0,0,0,1,0,1|2,0,0]=4 1400 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9299535292 [0,0,0,1,0,1|2,0,0]=4 1401 B10R1.61 CC(=O)C1CCCCC1=O MCULE-4487262627 [0,0,0,1,0,1|2,0,0]=4 1402 B10R1.61 CC(=O)N1CCCCC1=O MCULE-2016057739 [0,0,0,1,0,1|2,0,0]=4 1403 B10R1.61 CC1=C(CCCC1)C(=O)O MCULE-2899177590 [0,0,0,1,0,1|2,0,0]=4 1404 B10R1.61 NC(=O)C1CCCCC1=O MCULE-4980594289 [0,0,0,1,0,1|2,0,0]=4 1405 B10R1.61 NC(=O)C1CNCCC1=O MCULE-5445807694 [0,0,0,1,0,1|2,0,0]=4 1406 B10R1.61 NC1=C(CCCC1)C(=O)O MCULE-4360190675 [0,0,0,1,0,1|2,0,0]=4 1407 B10R1.61 O=C(O)C1=C(CCCC1)Br MCULE-4432967237 [0,0,0,1,0,1|2,0,0]=4 1408 B10R1.61 O=C(O)C1=C(CCCC1)Cl MCULE-4191246644 [0,0,0,1,0,1|2,0,0]=4 1409 B10R1.61 O=C(O)C1=C(CCNC1)F MCULE-5950030289 [0,0,0,1,0,1|2,0,0]=4 1410 B10R1.61 O=C(O)C1=C(CCNC1)F MCULE-7466992226 [0,0,0,1,0,1|2,0,0]=4 1411 B10R1.61 O=C(O)C1=C(CCOC1)Cl MCULE-8616332165 [0,0,0,1,0,1|1,1,0]=4 1412 B10R1.61 O=C(O)C1CCCCC1=O MCULE-1684765148 [0,0,0,1,0,1|1,0,0]=3 1413 B10R1.61 O=C(O)C1CCCNC1=O MCULE-5733950200 [0,0,0,1,0,1|2,0,0]=4 1414 B10R1.61 O=C(O)C1CNCCC1=O MCULE-3624462455 [0,0,0,1,0,1|1,0,0]=3 1415 B10R1.61 O=C([O-])C1CCCCC1=O MCULE-2483955816 [0,0,0,1,0,1|1,0,1]=4 1416 B10R1.77 O=C1CCCCCC(=O)C1 MCULE-5507646577 [0,0,0,1,0,1|2,0,0]=4 1417 B10R1.77 O=C1CCCCCC(=O)O1 MCULE-4901663442 [0,0,0,1,0,1|2,0,0]=4 1418 B10R1.130 CCCC1NC(=O)NC1=O MCULE-8733253949 [0,0,0,1,0,1|2,0,0]=4 1419 B10R1.130 CCCC1NC(=O)OC1=O MCULE-7525289732 [0,0,0,1,0,1|2,0,0]=4 1420 B10R1.130 CCC[C@@H]1NC(=O)OC1=O MCULE-7186217014 [0,0,0,1,0,1|2,0,0]=4 1421 B10R1.130 CCC[C@H]1NC(=O)OC1=O MCULE-7770718428 [0,0,0,1,0,1|2,0,0]=4 1422 B10R1.130 COCC1NC(=O)NC1=O MCULE-1693495879 [0,0,0,1,0,1|1,1,0]=4 1423 B10R1.130 COC[C@@H]1NC(=O)OC1=O MCULE-7447385371 [0,0,0,1,0,1|1,1,0]=4 1424 B10R1.130 COC[C@H]1NC(=O)OC1=O MCULE-9806064395 [0,0,0,1,0,1|1,1,0]=4 1425 B10R1.130 CSCC1NC(=O)NC1=O MCULE-4121194227 [0,0,0,1,0,1|1,0,0]=3 1426 B10R1.130 NCCC1OC(=O)NC1=O MCULE-7050720184 [0,0,0,1,0,1|2,0,0]=4 1427 B10R1.192 CC1COC(=O)C1C(=O)O MCULE-6047208777 [0,0,0,1,0,1|2,0,0]=4 1428 B10R1.266 CC(=O)CC(=O)C1CCC1 MCULE-1261794615 [0,0,0,1,0,1|2,0,0]=4 1429 B10R1.268 O=C(O)CC(=O)NC1CC1 MCULE-7263649707 [0,0,0,1,0,1|2,0,0]=4 1430 B10R1.268 O=C(O)CS(=O)CC1CC1 MCULE-8236079442 [0,0,0,1,0,1|2,0,0]=4 1431 B10R1.370 NC1(CCSC1)CC(=O)O MCULE-1913904908 [0,0,0,1,0,1|1,0,1]=4 1432 B10R1.23 CC(=C1CCCC1)C(=O)O MCULE-3562031446 [0,1,0,1,0,0|2,0,0]=4 1433 B10R1.23 O=C(O)C(=C1CCCC1)F MCULE-7724617873 [0,1,0,1,0,0|2,0,0]=4 1434 B10R1.23 O=C(O)C(=C1CCCC1)S MCULE-2991118664 [0,1,0,1,0,0|1,1,0]=4 1435 B10R1.23 O=C(O)C(=O)C1CCCC1 MCULE-3971745471 [0,1,0,1,0,0|1,0,0]=3 1436 B10R1.23 O=C(O)C(=O)C1CCOC1 MCULE-9419104810 [0,1,0,1,0,0|0,1,0]=3 1437 B10R1.23 O=C(O)C(=O)N1CCCC1 MCULE-9901176707 [0,1,0,1,0,0|1,0,0]=3 1438 B10R1.23 O=C([O-])C(=O)C1CCCC1 MCULE-7060762433 [0,1,0,1,0,0|1,0,1]=4 1439 B10R1.275 O=C1CCCCC(=C1F)O MCULE-2972149080 [0,1,0,1,0,0|2,0,0]=4 1440 B10R1.13 CC1CC=C(CC1)C(=O)O MCULE-7341526311 [0,1,0,1,0,0|2,0,0]=4 1441 B10R1.13 NC1CC=C(CC1)C(=O)O MCULE-8027933659 [0,1,0,1,0,0|2,0,0]=4 1442 B10R1.190 C=C1CC1CC(=O)C(=O)O MCULE-1169611562 [0,1,0,1,0,0|1,0,0]=3 1443 B10R1.205 O=C(O)C(=O)NCC1CC1 MCULE-9840339413 [0,1,0,1,0,0|1,0,0]=3 1444 B10R1.15 COC(=O)C1=CCCCC1 MCULE-3153400458 [0,1,0,1,0,0|2,0,0]=4 1445 B10R1.15 COC(=O)C1=CCNCC1 MCULE-3308640134 [0,1,0,1,0,0|2,0,0]=4 1446 B10R1.15 COC(=O)C1=CCNCC1 MCULE-5623631465 [0,1,0,1,0,0|2,0,0]=4 1447 B10R1.15 COC(=O)C1=CCOCC1 MCULE-5794532366 [0,1,0,1,0,0|1,1,0]=4 1448 B10R1.15 COC(=O)C1CCSCC1 MCULE-2533530421 [0,1,0,1,0,0|1,0,1]=4 1449 B10R1.411 COC(=O)C1(CCSC1)N MCULE-8182082021 [0,1,0,1,0,0|1,0,1]=4 1450 B10R1.411 COC(=O)C1(CCSC1)O MCULE-5872955354 [0,1,0,1,0,0|0,0,2]=4 1451 B10R1.194 CN1CCC(C1=O)C(=O)O MCULE-9291039298 [0,1,0,1,0,0|1,0,1]=4 1452 B10R1.348 O=C(O)C1=CCCCCC1 MCULE-5438079704 [0,1,0,1,0,0|2,0,0]=4 1453 B10R1.348 O=C(O)C1=CCCOCC1 MCULE-6315041103 [0,1,0,1,0,0|1,1,0]=4 1454 B10R1.477 CNC1(CCSC1)C(=O)O MCULE-1204206450 [0,1,0,1,0,0|1,0,1]=4 1455 B10R1.477 COC1(CCSC1)C(=O)O MCULE-4950827658 [0,1,0,1,0,0|0,0,2]=4 1456 B10R1.113 CN1CCC=C(C1)C(=O)O MCULE-5778457701 [0,1,0,1,0,0|2,0,0]=4 1457 B10R1.113 C[NH+]1CCC=C(C1)C(=O)O MCULE-8096594321 [0,1,0,1,0,0|2,0,0]=4 1458 B10R1.113 O=C(O)C1=CC(CCC1)O MCULE-3053514968 [0,1,0,1,0,0|2,0,0]=4 1459 B10R1.363 CC1(CCSCC1)C(=O)O MCULE-4494370785 [0,1,0,1,0,0|1,0,1]=4 1460 B10R1.363 NC1(CCCSC1)C(=O)O MCULE-5875012341 [0,1,0,1,0,0|1,0,1]=4 1461 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-3400288648 [0,1,0,1,0,0|1,0,1]=4 1462 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-7826194478 [0,1,0,1,0,0|1,0,1]=4 1463 B10R1.363 O=C(O)C1(CCSCC1)O MCULE-8230713014 [0,1,0,1,0,0|0,0,2]=4 1464 B10R0.78 C#CCCC(=O)CCC(=O)O MCULE-9596963824 [0,0,0,0,0,2|1,0,1]=4 1465 B10R0.78 C=CCCC(=O)NCC(=O)O MCULE-4151301177 [0,0,0,0,0,2|1,0,1]=4 1466 B10R0.78 CC=CCC(=O)NCC(=O)O MCULE-8072831514 [0,0,0,0,0,2|1,0,1]=4 1467 B10R0.78 CCCCC(=O)CCC(=O)O MCULE-7337930692 [0,0,0,0,0,2|1,0,0]=3 1468 B10R0.78 CCCCC(=O)NCC(=O)O MCULE-9839707919 [0,0,0,0,0,2|1,0,0]=3 1469 B10R0.78 CCCCS(=O)CCC(=O)O MCULE-7420971633 [0,0,0,0,0,2|2,0,0]=4 1470 B10R0.78 CCCNC(=O)C=CC(=O)O MCULE-9383488947 [0,0,0,0,0,2|2,0,0]=4 1471 B10R0.78 CCCNC(=O)CCC(=O)O MCULE-3093591706 [0,0,0,0,0,2|2,0,0]=4 1472 B10R0.78 O=CCCC(=O)CCC(=O)O MCULE-4413858827 [0,0,0,0,0,2|2,0,0]=4