0 B9R0.2 C(=C/COC(=O)C)\CCC MCULE-6477561163 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.2 C=C(C)CCCCCCC MCULE-6074571960 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 C=CCCCCOC(=O)C MCULE-4254881456 [0,0,0,0,0,0|0,0,4]=4 3 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 CC(=O)NCCCCCCl MCULE-9253955715 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.2 CC(=O)NCCCCCN MCULE-6340089295 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 CC(=O)NCCCCCN MCULE-9533682248 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.2 CC(=O)NCCOCCBr MCULE-2348291899 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.2 CC(=O)NCCOCCO MCULE-4601425982 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.2 CC(=O)OCCCCCBr MCULE-2710815321 [0,0,0,0,0,0|1,0,2]=3 11 B9R0.2 CC(=O)OCCCCCCl MCULE-4259346820 [0,0,0,0,0,0|1,0,2]=3 12 B9R0.2 CC(=O)OCCOCCCl MCULE-6641386197 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.2 CC(=O)OCCOCCO MCULE-1731179198 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.2 CC(=O)SCCCCCBr MCULE-3706830993 [0,0,0,0,0,0|1,1,2]=4 15 B9R0.2 CC/C=C/CCOC(=O)C MCULE-5255060122 [0,0,0,0,0,0|0,0,2]=2 16 B9R0.2 CC/C=C\CCOC(=O)C MCULE-6583289353 [0,0,0,0,0,0|0,0,2]=2 17 B9R0.2 CC=CC=CCOC(=O)C MCULE-6151366522 [0,0,0,0,0,0|0,0,2]=2 18 B9R0.2 CCC/C=C/C=C/C(=O)O MCULE-7747589239 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.2 CCC=CCCOC(=O)C MCULE-9625548755 [0,0,0,0,0,0|0,0,2]=2 20 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.2 CCCC=CC=CC(=O)O MCULE-5198543935 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.2 CCCC=CCOC(=O)C MCULE-1950142599 [0,0,0,0,0,0|0,0,0]=0 24 B9R0.2 CCCCC/C=C/C(=O)C MCULE-4810438787 [0,0,0,0,0,0|1,0,3]=4 25 B9R0.2 CCCCC=CCC(=O)N MCULE-7054762763 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.2 CCCCCC=CC(=O)C MCULE-2447853309 [0,0,0,0,0,0|1,0,3]=4 28 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [0,0,0,0,0,0|1,0,2]=3 29 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.2 CCCCCCNC(=O)N MCULE-4236638652 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.2 CCCCCCOC(=O)C MCULE-7353613022 [0,0,0,0,0,0|0,0,2]=2 36 B9R0.2 CCCCCCOC(=O)Cl MCULE-3135055168 [0,0,0,0,0,0|1,0,2]=3 37 B9R0.2 CCCCCCOC(=O)N MCULE-3909923308 [0,0,0,0,0,0|1,0,2]=3 38 B9R0.2 CCCCCCOC(=S)[S-] MCULE-1848031601 [0,0,0,0,0,0|1,1,2]=4 39 B9R0.2 CCCCCCOC(=S)[S-] MCULE-2674237730 [0,0,0,0,0,0|1,1,2]=4 40 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.2 CCCOCCOC(=O)Cl MCULE-3909524059 [0,0,0,0,0,0|2,0,1]=3 44 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.2 COCCCCOC(=O)C MCULE-4352807618 [0,0,0,0,0,0|1,0,2]=3 46 B9R0.2 P(=O)([O-])OCCCCCC MCULE-6311367116 [0,0,0,0,0,0|2,0,2]=4 47 B8R0.4 CC/C=C\CCOC=O MCULE-1555008531 [1,0,0,0,0,0|0,0,2]=3 48 B8R0.4 CC=CCCCCCC MCULE-2766900913 [1,0,0,0,0,0|1,0,2]=4 49 B8R0.4 CC=CCSCCCC MCULE-7318808486 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.4 CCC/C=C/C=C/C=O MCULE-8835013975 [1,0,0,0,0,0|1,0,1]=3 51 B8R0.4 CCC/C=C\CCCC MCULE-1534641855 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.4 CCC=CCCOC=O MCULE-9410935925 [1,0,0,0,0,0|0,0,2]=3 53 B8R0.4 CCCC/C=C\CCO MCULE-5021089657 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.4 CCCC=CC=CC=O MCULE-2921829928 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.4 CCCC=CCCCC MCULE-6609949802 [1,0,0,0,0,0|1,0,1]=3 56 B8R0.4 CCCCC=CCCO MCULE-5187523035 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.4 CCCCCCCC=O MCULE-7111365457 [1,0,0,0,0,0|1,0,2]=4 58 B8R0.4 CCCCCCNC=O MCULE-3719637754 [1,0,0,0,0,0|1,0,2]=4 59 B8R0.4 CCCCCCOC=O MCULE-1329787181 [1,0,0,0,0,0|0,0,2]=3 60 B8R0.4 CCCCCCON=O MCULE-9048754026 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.7 C#CCCCOC(=O)C MCULE-5113085970 [1,0,0,0,0,0|0,0,3]=4 62 B8R0.7 C=C(C)CCCCCC MCULE-2243788093 [1,0,0,0,0,0|1,0,2]=4 63 B8R0.7 C=C(C)CSCCCC MCULE-7053589995 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.7 C=CCCCOC(=O)C MCULE-2972695808 [1,0,0,0,0,0|0,0,3]=4 65 B8R0.7 CC(=O)CCCCCBr MCULE-8946921118 [1,0,0,0,0,0|1,0,2]=4 66 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [1,0,0,0,0,0|1,0,2]=4 67 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [1,0,0,0,0,0|1,0,2]=4 68 B8R0.7 CC(=O)NCCCCN MCULE-6666803790 [1,0,0,0,0,0|2,0,1]=4 69 B8R0.7 CC(=O)NCCCCN MCULE-8971714473 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.7 CC(=O)OC=CCC#N MCULE-5325483419 [1,0,0,0,0,0|1,0,1]=3 72 B8R0.7 CC(=O)OCC#CCCl MCULE-2578774233 [1,0,0,0,0,0|1,0,2]=4 73 B8R0.7 CC(=O)OCCCCBr MCULE-6081921662 [1,0,0,0,0,0|1,0,1]=3 74 B8R0.7 CC(=O)OCCCCCl MCULE-3999602136 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.7 CC(=O)OCCCCI MCULE-6699791525 [1,0,0,0,0,0|1,0,1]=3 76 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [1,0,0,0,0,0|1,0,1]=3 77 B8R0.7 CC(=O)OCCOCCl MCULE-2565061276 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.7 CC(=O)SCCCCBr MCULE-1636667997 [1,0,0,0,0,0|1,1,1]=4 79 B8R0.7 CC(=O)SCCCCN MCULE-2425585672 [1,0,0,0,0,0|1,1,1]=4 80 B8R0.7 CC(=O)SCCCCN MCULE-9899884734 [1,0,0,0,0,0|1,1,1]=4 81 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [1,0,0,0,0,0|1,0,2]=4 82 B8R0.7 CCC=CC=CC(=O)O MCULE-2259149573 [1,0,0,0,0,0|1,0,2]=4 83 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [1,0,0,0,0,0|0,0,2]=3 84 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [1,0,0,0,0,0|1,0,2]=4 85 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [1,0,0,0,0,0|1,0,0]=2 86 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [1,0,0,0,0,0|0,0,2]=3 87 B8R0.7 CCCCC=CC(=O)Cl MCULE-3883159938 [1,0,0,0,0,0|1,0,2]=4 88 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [1,0,0,0,0,0|1,0,2]=4 89 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [1,0,0,0,0,0|0,0,2]=3 90 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [1,0,0,0,0,0|1,0,2]=4 91 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [1,0,0,0,0,0|1,0,2]=4 92 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [1,0,0,0,0,0|1,0,2]=4 93 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [1,0,0,0,0,0|1,0,2]=4 94 B8R0.7 CCCCCNC(=O)N MCULE-3139270247 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.7 CCCCCOC(=O)C MCULE-4911325533 [1,0,0,0,0,0|0,0,1]=2 96 B8R0.7 CCCCCOC(=O)Cl MCULE-2896207255 [1,0,0,0,0,0|1,0,1]=3 97 B8R0.7 CCCCCOC(=S)[S-] MCULE-2950713727 [1,0,0,0,0,0|1,1,1]=4 98 B8R0.7 CCCCCOC(=S)[S-] MCULE-3707330245 [1,0,0,0,0,0|1,1,1]=4 99 B8R0.7 CCCCCON(=O)=O MCULE-5516967908 [1,0,0,0,0,0|2,0,1]=4 100 B8R0.7 CCCCNCC(=O)N MCULE-1276341431 [1,0,0,0,0,0|2,0,1]=4 101 B8R0.7 CCCCNCC(=O)N MCULE-6579402071 [1,0,0,0,0,0|2,0,1]=4 102 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [1,0,0,0,0,0|2,0,1]=4 103 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [1,0,0,0,0,0|2,0,1]=4 104 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [1,0,0,0,0,0|2,0,1]=4 105 B8R0.7 CCCNCCC(=O)N MCULE-2654608736 [1,0,0,0,0,0|2,0,1]=4 106 B8R0.7 CCCNCCC(=O)N MCULE-2683588523 [1,0,0,0,0,0|2,0,1]=4 107 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [1,0,0,0,0,0|2,0,1]=4 108 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [1,0,0,0,0,0|2,0,1]=4 109 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [1,0,0,0,0,0|2,0,1]=4 110 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [1,0,0,0,0,0|2,0,1]=4 111 B8R0.7 CCCSC=CC(=O)[O-] MCULE-9917981235 [1,0,0,0,0,0|2,0,1]=4 112 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [1,0,0,0,0,0|2,0,1]=4 113 B8R0.7 CCOCCOC(=O)C MCULE-3053452981 [1,0,0,0,0,0|1,0,1]=3 114 B8R0.7 CCOCCOC(=O)Cl MCULE-9683410173 [1,0,0,0,0,0|2,0,1]=4 115 B8R0.7 CNCCCNC(=O)C MCULE-2682619502 [1,0,0,0,0,0|2,0,1]=4 116 B8R0.7 CNCCCNC(=O)C MCULE-3477977807 [1,0,0,0,0,0|2,0,1]=4 117 B8R0.7 COCCCNC(=O)C MCULE-4149128250 [1,0,0,0,0,0|2,0,1]=4 118 B8R0.7 COCCOCC(=O)C MCULE-5956367525 [1,0,0,0,0,0|2,0,1]=4 119 B8R0.7 CSCCCOC(=O)C MCULE-4403232519 [1,0,0,0,0,0|1,0,1]=3 120 B8R0.7 O=C(Cl)OCCCCCl MCULE-4992919323 [1,0,0,0,0,0|2,0,1]=4 121 B10R0.3 CCCC(=O)CCCC(=O)O MCULE-5554652459 [0,1,0,0,0,0|2,0,1]=4 122 B10R0.3 CCCC(=O)NCCC(=O)O MCULE-9942655490 [0,1,0,0,0,0|3,0,0]=4 123 B10R0.3 CCCC(C)CCCC(=O)C MCULE-6836595014 [0,1,0,0,0,0|1,0,2]=4 124 B10R0.3 CCCC(C)CCOC(=O)C MCULE-7488303006 [0,1,0,0,0,0|0,0,2]=3 125 B10R0.3 CCCC(S)CCOC(=O)C MCULE-9110387170 [0,1,0,0,0,0|0,0,2]=3 126 B10R0.3 CCOC(=O)CCCC(=O)C MCULE-7629371322 [0,1,0,0,0,0|2,0,1]=4 127 B10R0.4 C=CCCCCCOC(=O)C MCULE-7198359038 [0,1,0,0,0,0|0,0,3]=4 128 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [0,1,0,0,0,0|1,0,2]=4 129 B10R0.4 CC(=O)NCCCCCCN MCULE-6988947031 [0,1,0,0,0,0|1,0,2]=4 130 B10R0.4 CC(=O)OCCCCCCBr MCULE-9658847674 [0,1,0,0,0,0|0,0,2]=3 131 B10R0.4 CC(=O)OCCCCCCCl MCULE-2777138332 [0,1,0,0,0,0|0,0,2]=3 132 B10R0.4 CC(=O)SCCCCCCN MCULE-6118060031 [0,1,0,0,0,0|0,1,2]=4 133 B10R0.4 CC(=O)SCCCCCCN MCULE-7116355086 [0,1,0,0,0,0|0,1,2]=4 134 B10R0.4 CCCC/C=C/COC(=O)C MCULE-5121036018 [0,1,0,0,0,0|0,0,0]=1 135 B10R0.4 CCCCC=CCOC(=O)C MCULE-9678532361 [0,1,0,0,0,0|0,0,0]=1 136 B10R0.4 CCCCCCC=CC(=O)C MCULE-7025674174 [0,1,0,0,0,0|1,0,2]=4 137 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [0,1,0,0,0,0|1,0,2]=4 138 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [0,1,0,0,0,0|1,0,2]=4 139 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [0,1,0,0,0,0|0,0,2]=3 140 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [0,1,0,0,0,0|1,0,2]=4 141 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [0,1,0,0,0,0|1,0,2]=4 142 B10R0.4 CCCCOCCOC(=O)C MCULE-4906127008 [0,1,0,0,0,0|0,0,2]=3 143 B10R0.4 COCCOCCOC(=O)C MCULE-6392138253 [0,1,0,0,0,0|1,0,1]=3 144 B10R0.6 CCCCCC(C)CC(=O)C MCULE-9366517192 [0,1,0,0,0,0|1,0,2]=4 145 B10R0.6 CCCCCC(C)OC(=O)Cl MCULE-6347220296 [0,1,0,0,0,0|1,0,2]=4 146 B10R0.22 CCCCCCOS(=O)(=O)C MCULE-1982928727 [0,1,0,0,0,0|1,0,2]=4 147 B10R0.55 CC[C@H](C)C=CC=CC(=O)O MCULE-2710938510 [0,1,0,0,0,0|2,0,1]=4 148 B10R0.55 COC(=O)C=CCOC(=O)C MCULE-9685968367 [0,1,0,0,0,0|1,0,1]=3 149 B10R0.74 C=CC(=O)OCCCCCC MCULE-5221212930 [0,1,0,0,0,0|0,0,3]=4 150 B10R0.74 CC/C=C\CCOC(=O)CC MCULE-2625707486 [0,1,0,0,0,0|0,0,2]=3 151 B10R0.74 CC/C=C\CCOC(=O)OC MCULE-7384996356 [0,1,0,0,0,0|0,0,2]=3 152 B10R0.74 CCC/C=C/COC(=O)CC MCULE-3426297748 [0,1,0,0,0,0|0,0,0]=1 153 B10R0.74 CCC=CCCOC(=O)CC MCULE-1285182737 [0,1,0,0,0,0|0,0,2]=3 154 B10R0.74 CCC=CCCOC(=O)OC MCULE-9789450516 [0,1,0,0,0,0|0,0,2]=3 155 B10R0.74 CCCC=CCOC(=O)CC MCULE-1078471467 [0,1,0,0,0,0|0,0,0]=1 156 B10R0.74 CCCCCCCC(=O)CC MCULE-3418685291 [0,1,0,0,0,0|1,0,2]=4 157 B10R0.74 CCCCCCCC(=O)OC MCULE-9368782203 [0,1,0,0,0,0|1,0,2]=4 158 B10R0.74 CCCCCCNC(=O)CCl MCULE-9418401258 [0,1,0,0,0,0|1,0,2]=4 159 B10R0.74 CCCCCCOC(=O)CC MCULE-7750085667 [0,1,0,0,0,0|0,0,2]=3 160 B10R0.74 CCCCCCOC(=O)CCl MCULE-7320709801 [0,1,0,0,0,0|0,0,2]=3 161 B10R0.74 CCCCCCOC(=O)CN MCULE-5357348178 [0,1,0,0,0,0|0,0,2]=3 162 B10R0.74 CCCCCCOC(=O)CS MCULE-4845823799 [0,1,0,0,0,0|0,0,2]=3 163 B10R0.74 CCCCCCOC(=O)C[NH3+] MCULE-4114261473 [0,1,0,0,0,0|0,0,2]=3 164 B10R0.74 O=C(CCl)OCCOCCCl MCULE-8624079854 [0,1,0,0,0,0|2,0,1]=4 165 B10R0.75 CCCCCCC(C)C(=O)C MCULE-2296587993 [0,1,0,0,0,0|1,0,2]=4 166 B10R0.78 CC(=O)NCC(=O)NCCO MCULE-8706332277 [0,1,0,0,0,0|3,0,0]=4 167 B10R0.78 CCCCC(=O)CCC(=O)O MCULE-7337930692 [0,1,0,0,0,0|2,0,1]=4 168 B10R0.78 CCCNC(=O)CCC(=O)O MCULE-3093591706 [0,1,0,0,0,0|3,0,0]=4 169 B10R0.78 CCCNC(=S)NNC(=O)C MCULE-3754085257 [0,1,0,0,0,0|3,0,0]=4 170 B10R0.78 CCCOC(=O)CCC(=O)C MCULE-7738434916 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.10 CCCC1=CC(=CC=C1)C MCULE-2036070125 [0,0,0,1,0,0|2,0,1]=4 172 B10R1.10 CCCC1CC(=O)CCN1 MCULE-1509807204 [0,0,0,1,0,0|2,0,1]=4 173 B10R1.10 CCCC1CC(=O)CCN1 MCULE-1669137140 [0,0,0,1,0,0|2,0,1]=4 174 B10R1.10 CCCC1CC(=O)CCO1 MCULE-7566764510 [0,0,0,1,0,0|2,0,1]=4 175 B10R1.10 CCCC1CCCC(=O)C1 MCULE-7668769463 [0,0,0,1,0,0|1,0,2]=4 176 B10R1.10 CCCC1CCNC(=O)C1 MCULE-2999950135 [0,0,0,1,0,0|1,0,2]=4 177 B10R1.16 CCCCC1CNC(=O)C1 MCULE-7940886893 [0,0,0,1,0,0|1,0,2]=4 178 B10R1.16 CCCCC1COC(=O)N1 MCULE-7413985675 [0,0,0,1,0,0|1,0,2]=4 179 B10R1.18 CC(=O)CC1=CCCCC1 MCULE-7211325077 [0,0,0,1,0,0|1,0,2]=4 180 B10R1.18 CC(=O)CC1CCCCC1 MCULE-4557008527 [0,0,0,1,0,0|1,0,2]=4 181 B10R1.18 CC(=O)CC1CCCCN1 MCULE-1827771795 [0,0,0,1,0,0|2,0,1]=4 182 B10R1.18 CC(=O)CC1CCCCN1 MCULE-9317294757 [0,0,0,1,0,0|2,0,1]=4 183 B10R1.18 CC(=O)CC1CCCCO1 MCULE-1058487646 [0,0,0,1,0,0|2,0,1]=4 184 B10R1.18 CC(=O)CC1CCCOC1 MCULE-4781249046 [0,0,0,1,0,0|2,0,1]=4 185 B10R1.18 CC(=O)C[C@H]1CCCCN1 MCULE-2330430389 [0,0,0,1,0,0|2,0,1]=4 186 B10R1.18 CC(=O)NC1CCCCC1 MCULE-8353778142 [0,0,0,1,0,0|1,0,2]=4 187 B10R1.18 CC(=O)NC1CCCNC1 MCULE-2923451430 [0,0,0,1,0,0|2,0,1]=4 188 B10R1.18 CC(=O)NC1CCCNC1 MCULE-7850537912 [0,0,0,1,0,0|2,0,1]=4 189 B10R1.18 CC(=O)N[C@@H]1CCCNC1 MCULE-3102769783 [0,0,0,1,0,0|2,0,1]=4 190 B10R1.18 CC(=O)N[C@@H]1CCCNC1 MCULE-4313494103 [0,0,0,1,0,0|2,0,1]=4 191 B10R1.18 CC(=O)N[C@H]1CC=CCC1 MCULE-6218263527 [0,0,0,1,0,0|1,0,2]=4 192 B10R1.18 CC(=O)N[C@H]1CCCNC1 MCULE-1582624021 [0,0,0,1,0,0|2,0,1]=4 193 B10R1.18 CC(=O)N[C@H]1CCCNC1 MCULE-7588247669 [0,0,0,1,0,0|2,0,1]=4 194 B10R1.18 CC(=O)OC1C=CCCC1 MCULE-7559627891 [0,0,0,1,0,0|0,0,0]=1 195 B10R1.18 CC(=O)OC1CCCCC1 MCULE-8221153491 [0,0,0,1,0,0|0,0,2]=3 196 B10R1.18 CC(=O)OC1CCCCS1 MCULE-7999769363 [0,0,0,1,0,0|1,0,1]=3 197 B10R1.18 CC(=O)OC1CCCNC1 MCULE-1733458491 [0,0,0,1,0,0|1,0,1]=3 198 B10R1.18 CC(=O)OC1CCCNC1 MCULE-4433179343 [0,0,0,1,0,0|1,0,1]=3 199 B10R1.18 CC(=O)OC1CCNCC1 MCULE-3223270695 [0,0,0,1,0,0|1,0,2]=4 200 B10R1.18 CC(=O)OC1CCNCC1 MCULE-4522205472 [0,0,0,1,0,0|1,0,2]=4 201 B10R1.18 CC(=O)OC1CCNCC1 MCULE-4714651381 [0,0,0,1,0,0|1,0,2]=4 202 B10R1.18 NC(=O)OC1CCCCC1 MCULE-3235010863 [0,0,0,1,0,0|1,0,2]=4 203 B10R1.18 O=C(Cl)OC1CCCCC1 MCULE-4011557961 [0,0,0,1,0,0|1,0,2]=4 204 B10R1.18 O=C(O)CC1C=CCCC1 MCULE-3207533436 [0,0,0,1,0,0|2,0,0]=3 205 B10R1.24 CCCCCC1CC(=O)C1 MCULE-5494050284 [0,0,0,1,0,0|1,0,2]=4 206 B10R1.39 CCN1C=CC=C1C(=O)C MCULE-6372252385 [0,0,0,1,0,0|2,0,1]=4 207 B10R1.39 CCN1C=CN=C1C(=O)C MCULE-3566640535 [0,0,0,1,0,0|3,0,0]=4 208 B10R1.61 CC(=O)C1CCCCC1C MCULE-9283684652 [0,0,0,1,0,0|1,0,2]=4 209 B10R1.61 CC(=O)N1CCNCC1C MCULE-6582439823 [0,0,0,1,0,0|2,0,1]=4 210 B10R1.61 CC1CC=CCC1C(=O)O MCULE-9141456284 [0,0,0,1,0,0|2,0,0]=3 211 B10R1.61 NC(=O)C1CC=CCC1N MCULE-2161108232 [0,0,0,1,0,0|3,0,0]=4 212 B10R1.61 NC(=O)C1CC=CCC1N MCULE-3871276776 [0,0,0,1,0,0|3,0,0]=4 213 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-2158727978 [0,0,0,1,0,0|3,0,0]=4 214 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-4418712159 [0,0,0,1,0,0|3,0,0]=4 215 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-4498785860 [0,0,0,1,0,0|3,0,0]=4 216 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-4657399850 [0,0,0,1,0,0|3,0,0]=4 217 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-8109711316 [0,0,0,1,0,0|3,0,0]=4 218 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-8970935013 [0,0,0,1,0,0|3,0,0]=4 219 B10R1.61 NC1CC=CCC1C(=O)O MCULE-1611474561 [0,0,0,1,0,0|3,0,0]=4 220 B10R1.61 NC1CC=CCC1C(=O)O MCULE-7218542670 [0,0,0,1,0,0|3,0,0]=4 221 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-2340179433 [0,0,0,1,0,0|3,0,0]=4 222 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-5382709957 [0,0,0,1,0,0|3,0,0]=4 223 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-5760660665 [0,0,0,1,0,0|3,0,0]=4 224 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-7312327841 [0,0,0,1,0,0|3,0,0]=4 225 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O MCULE-6730051789 [0,0,0,1,0,0|3,0,0]=4 226 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-2088008231 [0,0,0,1,0,0|3,0,0]=4 227 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-2783014205 [0,0,0,1,0,0|3,0,0]=4 228 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-4211428411 [0,0,0,1,0,0|3,0,0]=4 229 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-6091505598 [0,0,0,1,0,0|3,0,0]=4 230 B10R1.64 CC(=O)O[C@@H]1CCC[C@H]1O MCULE-7895175018 [0,0,0,1,0,0|1,0,2]=4 231 B10R1.66 CC(=O)CCC1CCCC1 MCULE-9602514524 [0,0,0,1,0,0|1,0,2]=4 232 B10R1.66 CC(=O)NCC1CCCN1 MCULE-7607447093 [0,0,0,1,0,0|2,0,1]=4 233 B10R1.66 CC(=O)NCC1CCCN1 MCULE-9543275549 [0,0,0,1,0,0|2,0,1]=4 234 B10R1.66 CC(=O)NCC1CCCO1 MCULE-2959865168 [0,0,0,1,0,0|2,0,1]=4 235 B10R1.66 CC(=O)NC[C@@H]1CCCN1 MCULE-5496183974 [0,0,0,1,0,0|2,0,1]=4 236 B10R1.66 CC(=O)OCC1=CC=CO1 MCULE-8997160416 [0,0,0,1,0,0|1,0,2]=4 237 B10R1.66 CC(=O)OCC1CCCO1 MCULE-7611136571 [0,0,0,1,0,0|1,0,1]=3 238 B10R1.66 CC(=O)OCC1CCNC1 MCULE-3194324923 [0,0,0,1,0,0|1,0,2]=4 239 B10R1.66 CC(=O)OCC1CCNC1 MCULE-5886937054 [0,0,0,1,0,0|1,0,2]=4 240 B10R1.66 O=C(Cl)OCC1CCCO1 MCULE-9360559044 [0,0,0,1,0,0|2,0,1]=4 241 B10R1.78 O=C1CCCCCCCC1 MCULE-1205201333 [0,0,0,1,0,0|1,0,2]=4 242 B10R1.78 O=C1CCCCCCCN1 MCULE-2754830482 [0,0,0,1,0,0|1,0,2]=4 243 B10R1.78 O=C1CCCCCCCO1 MCULE-8839309567 [0,0,0,1,0,0|0,0,2]=3 244 B10R1.348 CC(=O)C1CCCCCC1 MCULE-9324503120 [0,0,0,1,0,0|1,0,2]=4 245 B10R1.348 CC(=O)N1CCCCCC1 MCULE-4232660324 [0,0,0,1,0,0|1,0,2]=4 246 B10R1.348 CC(=O)N1CCCNCC1 MCULE-1264485184 [0,0,0,1,0,0|2,0,1]=4 247 B10R1.348 CC(=O)N1CCCNCC1 MCULE-8835178311 [0,0,0,1,0,0|2,0,1]=4 248 B7R0.1 C/C=C/CCCCC MCULE-6911363331 [2,0,0,0,0,0|1,0,1]=4 249 B7R0.1 C/C=C\CCCCC MCULE-9470036254 [2,0,0,0,0,0|1,0,1]=4 250 B7R0.1 C=CCC=CCCC MCULE-5753699682 [2,0,0,0,0,0|0,0,1]=3 251 B7R0.1 C=COCCCCC MCULE-4024159480 [2,0,0,0,0,0|0,0,2]=4 252 B7R0.1 CC/C=C/CCCC MCULE-7439146649 [2,0,0,0,0,0|1,0,1]=4 253 B7R0.1 CC/C=C\CCC=O MCULE-5862165111 [2,0,0,0,0,0|1,0,0]=3 254 B7R0.1 CC=CCCCCC MCULE-7111489659 [2,0,0,0,0,0|1,0,1]=4 255 B7R0.1 CCC/C=C/CCC MCULE-4580411068 [2,0,0,0,0,0|0,0,1]=3 256 B7R0.1 CCC/C=C\CCC MCULE-3832748741 [2,0,0,0,0,0|0,0,1]=3 257 B7R0.1 CCC=CC=CC=O MCULE-2064802795 [2,0,0,0,0,0|0,0,2]=4 258 B7R0.1 CCC=CCCC=O MCULE-1386777548 [2,0,0,0,0,0|1,0,0]=3 259 B7R0.1 CCC=CCCCC MCULE-9716720293 [2,0,0,0,0,0|1,0,1]=4 260 B7R0.1 CCCC/C=C/C=O MCULE-1260131686 [2,0,0,0,0,0|0,0,2]=4 261 B7R0.1 CCCC=CCCC MCULE-6897310592 [2,0,0,0,0,0|0,0,1]=3 262 B7R0.1 CCCC=CCCCl MCULE-5580394901 [2,0,0,0,0,0|1,0,1]=4 263 B7R0.1 CCCCC=CC=O MCULE-6776317009 [2,0,0,0,0,0|0,0,2]=4 264 B7R0.1 CCCCCCC=O MCULE-5251820425 [2,0,0,0,0,0|0,0,2]=4 265 B7R0.1 CCCCCCOC MCULE-7148964901 [2,0,0,0,0,0|0,0,2]=4 266 B7R0.1 CCCCCOC=O MCULE-2718009140 [2,0,0,0,0,0|0,0,1]=3 267 B7R0.1 CCCCCOCC MCULE-6346670527 [2,0,0,0,0,0|0,0,2]=4 268 B7R0.1 CCCCCON=O MCULE-8065075083 [2,0,0,0,0,0|1,0,1]=4 269 B7R0.1 CCCNCCOC MCULE-4425567647 [2,0,0,0,0,0|1,0,1]=4 270 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [2,0,0,0,0,0|1,0,0]=3 271 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [2,0,0,0,0,0|1,0,0]=3 272 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [2,0,0,0,0,0|0,0,0]=2 273 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [2,0,0,0,0,0|2,0,0]=4 274 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [2,0,0,0,0,0|1,0,1]=4 275 B7R0.4 C=CC=COC(=O)C MCULE-8556263077 [2,0,0,0,0,0|0,0,2]=4 276 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [2,0,0,0,0,0|0,0,2]=4 277 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [2,0,0,0,0,0|1,0,1]=4 278 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [2,0,0,0,0,0|1,0,1]=4 279 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [2,0,0,0,0,0|1,0,1]=4 280 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [2,0,0,0,0,0|2,0,0]=4 282 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [2,0,0,0,0,0|2,0,0]=4 283 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [2,0,0,0,0,0|2,0,0]=4 284 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [2,0,0,0,0,0|1,0,0]=3 287 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [2,0,0,0,0,0|1,0,0]=3 288 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [2,0,0,0,0,0|1,0,0]=3 289 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [2,0,0,0,0,0|1,0,0]=3 290 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [2,0,0,0,0,0|1,0,0]=3 291 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [2,0,0,0,0,0|1,1,0]=4 292 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [2,0,0,0,0,0|1,1,0]=4 293 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [2,0,0,0,0,0|1,1,0]=4 294 B7R0.4 CC=CC=CC(=O)C MCULE-1781846029 [2,0,0,0,0,0|0,0,2]=4 295 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [2,0,0,0,0,0|2,0,0]=4 296 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [2,0,0,0,0,0|0,0,0]=2 297 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [2,0,0,0,0,0|1,0,0]=3 298 B7R0.4 CCC=CCC(C)C MCULE-6798729321 [2,0,0,0,0,0|1,0,1]=4 299 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [2,0,0,0,0,0|0,0,0]=2 300 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [2,0,0,0,0,0|1,0,0]=3 301 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [2,0,0,0,0,0|1,0,0]=3 302 B7R0.4 CCCC=CC(C)C MCULE-6546702510 [2,0,0,0,0,0|1,0,1]=4 303 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [2,0,0,0,0,0|0,0,1]=3 304 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [2,0,0,0,0,0|1,0,1]=4 305 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [2,0,0,0,0,0|1,0,1]=4 306 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [2,0,0,0,0,0|1,0,1]=4 307 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [2,0,0,0,0,0|1,0,1]=4 308 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [2,0,0,0,0,0|1,0,1]=4 309 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [2,0,0,0,0,0|1,0,0]=3 310 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [2,0,0,0,0,0|2,0,0]=4 311 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [2,0,0,0,0,0|0,0,0]=2 313 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [2,0,0,0,0,0|1,0,0]=3 314 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [2,0,0,0,0,0|1,0,0]=3 315 B7R0.4 CCCCOC(=S)[S-] MCULE-2197583773 [2,0,0,0,0,0|1,1,0]=4 316 B7R0.4 CCCCOC(=S)[S-] MCULE-3219674247 [2,0,0,0,0,0|1,1,0]=4 317 B7R0.4 CCCCOC(C)C MCULE-1504269570 [2,0,0,0,0,0|1,0,1]=4 318 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [2,0,0,0,0,0|2,0,0]=4 319 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [2,0,0,0,0,0|0,1,0]=3 320 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [2,0,0,0,0,0|1,1,0]=4 321 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [2,0,0,0,0,0|2,0,0]=4 322 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [2,0,0,0,0,0|2,0,0]=4 323 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [2,0,0,0,0,0|2,0,0]=4 324 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [2,0,0,0,0,0|2,0,0]=4 325 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [2,0,0,0,0,0|2,0,0]=4 326 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [2,0,0,0,0,0|1,0,0]=3 327 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [2,0,0,0,0,0|2,0,0]=4 328 B7R0.4 CCO/C=C/C(=O)Cl MCULE-5623807124 [2,0,0,0,0,0|2,0,0]=4 329 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [2,0,0,0,0,0|2,0,0]=4 330 B7R0.4 CCOC=CC(=O)Cl MCULE-1242349133 [2,0,0,0,0,0|2,0,0]=4 331 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [2,0,0,0,0,0|2,0,0]=4 332 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [2,0,0,0,0,0|1,0,1]=4 333 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [2,0,0,0,0,0|2,0,0]=4 334 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [2,0,0,0,0,0|2,0,0]=4 335 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [2,0,0,0,0,0|1,0,0]=3 336 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [2,0,0,0,0,0|1,0,0]=3 337 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [2,0,0,0,0,0|2,0,0]=4 338 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [2,0,0,0,0,0|2,0,0]=4 339 B7R0.4 COCCCC(=O)C MCULE-3606369396 [2,0,0,0,0,0|1,0,1]=4 340 B7R0.4 COCCNC(=O)C MCULE-2794263612 [2,0,0,0,0,0|2,0,0]=4 341 B7R0.4 COCCOC(=O)C MCULE-3221264060 [2,0,0,0,0,0|1,0,0]=3 342 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [2,0,0,0,0,0|2,0,0]=4 343 B7R0.4 COCCOC(=O)N MCULE-3401505850 [2,0,0,0,0,0|2,0,0]=4 344 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [2,0,0,0,0,0|2,0,0]=4 345 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [2,0,0,0,0,0|2,0,0]=4 346 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [2,0,0,0,0,0|1,0,0]=3 347 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [2,0,0,0,0,0|2,0,0]=4 348 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [2,0,0,0,0,0|2,0,0]=4 349 B9R0.5 CCC/C=C/C(=O)OCC MCULE-4832092410 [1,1,0,0,0,0|0,0,2]=4 350 B9R0.5 CCCC=CC(=O)OCC MCULE-6059990808 [1,1,0,0,0,0|0,0,2]=4 351 B9R0.45 CCC=CCC=CCCO MCULE-8061689428 [1,1,0,0,0,0|2,0,0]=4 352 B9R0.45 CCCC/C=C/C=C/C=O MCULE-8109760299 [1,1,0,0,0,0|1,0,1]=4 353 B9R0.45 CCCC/C=C/CCCC MCULE-5215613168 [1,1,0,0,0,0|1,0,1]=4 354 B9R0.45 CCCC/C=C\CCCC MCULE-7961413462 [1,1,0,0,0,0|1,0,1]=4 355 B9R0.45 CCCCC=CC=CC=O MCULE-6291163980 [1,1,0,0,0,0|1,0,1]=4 356 B9R0.45 CCCCC=CCCCC MCULE-4261429100 [1,1,0,0,0,0|1,0,1]=4 357 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [1,1,0,0,0,0|0,0,2]=4 358 B9R0.45 CCNCC=CCNCC MCULE-8435967986 [1,1,0,0,0,0|1,0,1]=4 359 B9R0.1 CCC(=CCCC(=O)O)C MCULE-6674917264 [1,1,0,0,0,0|2,0,0]=4 360 B9R0.1 CCC(C)CCOC(=O)C MCULE-7887852572 [1,1,0,0,0,0|0,0,1]=3 361 B9R0.1 CCC(C)OCCC(=O)C MCULE-5228891169 [1,1,0,0,0,0|1,0,1]=4 362 B9R0.1 COC(C)CCOC(=O)C MCULE-3980717537 [1,1,0,0,0,0|1,0,1]=4 363 B9R0.4 CC(=O)CC(=O)NCCCl MCULE-8921013417 [1,1,0,0,0,0|2,0,0]=4 364 B9R0.4 CC(=O)CC(=O)NCCO MCULE-5180986682 [1,1,0,0,0,0|2,0,0]=4 365 B9R0.4 CC(=O)CC(=O)OCCO MCULE-4808732225 [1,1,0,0,0,0|2,0,0]=4 366 B9R0.4 CCCCC(=O)CC(=O)C MCULE-9961207967 [1,1,0,0,0,0|0,0,1]=3 367 B9R0.4 CCCCC(C)OC(=O)Cl MCULE-3267128498 [1,1,0,0,0,0|1,0,1]=4 368 B9R0.4 CCCNC(=O)CC(=O)C MCULE-2070588179 [1,1,0,0,0,0|1,0,0]=3 369 B9R0.4 CCCOC(=O)CC(=O)C MCULE-3887940392 [1,1,0,0,0,0|1,0,0]=3 370 B9R0.4 CCOCC(=O)CC(=O)C MCULE-7289258771 [1,1,0,0,0,0|1,0,1]=4 371 B9R0.38 CCCCCOS(=O)(=O)C MCULE-4850840839 [1,1,0,0,0,0|1,0,1]=4 372 B9R0.47 CCCC=CC(O)C(=O)O MCULE-9096490162 [1,1,0,0,0,0|1,0,0]=3 373 B9R0.47 CCCCCC(=O)C(=O)C MCULE-3171324169 [1,1,0,0,0,0|1,0,1]=4 374 B9R0.47 CCCCCC(C)C(=O)C MCULE-8141962187 [1,1,0,0,0,0|0,0,2]=4 375 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [1,1,0,0,0,0|0,0,1]=3 376 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [1,1,0,0,0,0|1,0,1]=4 377 B9R0.48 CCCC(=O)NCC(=O)N MCULE-4903049688 [1,1,0,0,0,0|2,0,0]=4 378 B9R0.48 CCCC(=O)NCC(=O)O MCULE-1331310812 [1,1,0,0,0,0|2,0,0]=4 379 B9R0.48 CCCC(C)CCC(=O)C MCULE-1446034135 [1,1,0,0,0,0|0,0,2]=4 380 B9R0.48 CCCC(C)COC(=O)C MCULE-3322580373 [1,1,0,0,0,0|0,0,1]=3 381 B9R0.48 CCCC(C)COC(=O)Cl MCULE-1504594923 [1,1,0,0,0,0|1,0,1]=4 382 B9R0.48 CCOC(=O)/C=C/C(=O)C MCULE-1277426448 [1,1,0,0,0,0|1,0,1]=4 383 B9R0.48 CCOC(=O)C=CC(=O)C MCULE-7029387078 [1,1,0,0,0,0|1,0,1]=4 384 B9R0.48 CCOC(=O)CCC(=O)C MCULE-1970388037 [1,1,0,0,0,0|1,0,1]=4 385 B9R0.48 CCOC(=O)CNC(=O)C MCULE-3012556062 [1,1,0,0,0,0|2,0,0]=4 386 B9R0.48 CCOC(=O)COC(=O)C MCULE-1796111350 [1,1,0,0,0,0|1,0,0]=3 387 B9R0.48 CCOC(C)COC(=O)C MCULE-7641307016 [1,1,0,0,0,0|1,0,1]=4 388 B9R0.55 CC(=O)CCCCC(C)C MCULE-8847308651 [1,1,0,0,0,0|0,0,2]=4 389 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [1,1,0,0,0,0|0,0,2]=4 390 B9R0.55 CC(=O)CCOCC(C)C MCULE-8673860656 [1,1,0,0,0,0|1,0,1]=4 391 B9R0.55 CC(C)C=CCCC(=O)O MCULE-4916288990 [1,1,0,0,0,0|2,0,0]=4 392 B11R0.1 CCOC(=O)CC(C)OC(=O)C MCULE-8040906908 [0,2,0,0,0,0|1,0,1]=4 393 B11R0.45 CCCC(CCOC(=O)C)SC MCULE-2402440383 [0,2,0,0,0,0|0,0,2]=4 394 B11R0.147 CCCNC(=O)COCC(=O)O MCULE-4624994372 [0,2,0,0,0,0|2,0,0]=4 395 B11R0.2 CCC/C=C\CC(N)CC(=O)O MCULE-9494795833 [0,2,0,0,0,0|2,0,0]=4 396 B11R0.2 CCCCCCC(C)OC(=O)C MCULE-6230359539 [0,2,0,0,0,0|0,0,2]=4 397 B11R0.30 C=C(C)CCCCCOC(=O)C MCULE-3589037568 [0,2,0,0,0,0|0,0,2]=4 398 B11R0.30 CC(=O)OC/C=C/COC(=O)C MCULE-9200334533 [0,2,0,0,0,0|0,0,1]=3 399 B11R0.30 CC(=O)OC/C=C\COC(=O)C MCULE-5874648581 [0,2,0,0,0,0|0,0,1]=3 400 B11R0.30 CC(=O)OCC=CCOC(=O)C MCULE-7140354231 [0,2,0,0,0,0|0,0,1]=3 401 B11R0.40 CCCCCCCOC(=O)CC MCULE-6239287032 [0,2,0,0,0,0|0,0,2]=4 402 B11R0.40 CCCCCCCOC(=O)CCl MCULE-6089837080 [0,2,0,0,0,0|0,0,2]=4 403 B11R0.40 CCCCCCCOC(=O)CS MCULE-3304894936 [0,2,0,0,0,0|0,0,2]=4 404 B11R0.40 CCCCOCCOC(=O)CN MCULE-1848119209 [0,2,0,0,0,0|0,0,2]=4 405 B11R0.40 CCCCOCCOC(=O)CN MCULE-3516651131 [0,2,0,0,0,0|0,0,2]=4 406 B11R0.40 CCCCOCCOC(=O)NC MCULE-3584012789 [0,2,0,0,0,0|0,0,2]=4 407 B11R0.40 COCCOCCOC(=O)CS MCULE-7102370274 [0,2,0,0,0,0|1,0,1]=4 408 B11R0.42 C(=C\CCOC(=O)C(C)C)\CC MCULE-8492793246 [0,2,0,0,0,0|0,0,2]=4 409 B11R0.42 C=C(C)C(=O)OCCCCCC MCULE-3645366510 [0,2,0,0,0,0|0,0,2]=4 410 B11R0.42 CC/C=C\CCOC(=O)C(=O)C MCULE-6358831166 [0,2,0,0,0,0|0,0,2]=4 411 B11R0.42 CC/C=C\CCOC(=O)C(C)O MCULE-6310856806 [0,2,0,0,0,0|0,0,2]=4 412 B11R0.42 CCC=CCCOC(=O)C(=O)C MCULE-1879584861 [0,2,0,0,0,0|0,0,2]=4 413 B11R0.42 CCC=CCCOC(=O)C(C)C MCULE-8005337303 [0,2,0,0,0,0|0,0,2]=4 414 B11R0.42 CCC=CCCOC(=O)C(C)O MCULE-2579886011 [0,2,0,0,0,0|0,0,2]=4 415 B11R0.42 CCCCCCOC(=O)C(C)C MCULE-2183299447 [0,2,0,0,0,0|0,0,2]=4 416 B11R0.46 CCCCOC(=O)CCC(=O)C MCULE-7095079350 [0,2,0,0,0,0|1,0,1]=4 417 B11R0.148 C=CCCCCCCOC(=O)C MCULE-2561625191 [0,2,0,0,0,0|0,0,2]=4 418 B11R0.148 CC(=O)OCCCCCCC=O MCULE-8513857573 [0,2,0,0,0,0|0,0,2]=4 419 B11R0.148 CCC=CCC=CCCC(=O)O MCULE-4088771773 [0,2,0,0,0,0|2,0,0]=4 420 B11R0.148 CCCC/C=C\CCOC(=O)C MCULE-5044870920 [0,2,0,0,0,0|0,0,0]=2 421 B11R0.148 CCCCC/C=C/CCC(=O)O MCULE-1356880290 [0,2,0,0,0,0|2,0,0]=4 422 B11R0.148 CCCCC=CCCOC(=O)C MCULE-8921990055 [0,2,0,0,0,0|0,0,0]=2 423 B11R0.148 CCCCCC=CCCC(=O)O MCULE-1637451620 [0,2,0,0,0,0|2,0,0]=4 424 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [0,2,0,0,0,0|0,0,2]=4 425 B11R0.148 CCOCCOCCOC(=O)C MCULE-2995602513 [0,2,0,0,0,0|0,0,2]=4 426 B11R0.176 CCCC(=O)OCCCC(=O)C MCULE-4762451697 [0,2,0,0,0,0|1,0,1]=4 427 B11R0.77 C=CC(CCCCC)OC(=O)C MCULE-7718450791 [0,2,0,0,0,0|0,0,2]=4 428 B11R0.154 CCCCCC(C)OC(=O)CCl MCULE-1490888674 [0,2,0,0,0,0|0,0,2]=4 429 B11R0.4 CC/C=C\CCOC(=O)CCC MCULE-7352409576 [0,2,0,0,0,0|0,0,2]=4 430 B11R0.4 CC=CC(=O)OCCC=CCC MCULE-6421894922 [0,2,0,0,0,0|0,0,2]=4 431 B11R0.4 CC=CC(=O)OCCCCCC MCULE-4880491449 [0,2,0,0,0,0|0,0,2]=4 432 B11R0.4 CCC/C=C/COC(=O)CCC MCULE-6588919367 [0,2,0,0,0,0|0,0,0]=2 433 B11R0.4 CCC=CCCOC(=O)CCC MCULE-6196690982 [0,2,0,0,0,0|0,0,2]=4 434 B11R0.4 CCCC=CCCC(=O)OCC MCULE-9126448594 [0,2,0,0,0,0|1,0,0]=3 435 B11R0.4 CCCC=CCOC(=O)CCC MCULE-6083586714 [0,2,0,0,0,0|0,0,0]=2 436 B11R0.4 CCCCCCOC(=O)CC#N MCULE-6927458563 [0,2,0,0,0,0|0,0,2]=4 437 B11R0.4 CCCCCCOC(=O)CCC MCULE-8350935490 [0,2,0,0,0,0|0,0,2]=4 438 B11R0.4 CCCCCCOC(=O)COC MCULE-6245511541 [0,2,0,0,0,0|0,0,2]=4 439 B11R0.4 CCCCCCOC(=O)OCCl MCULE-3018615324 [0,2,0,0,0,0|0,0,2]=4 440 B11R0.85 CC(=O)CCC(=O)OCC(C)C MCULE-6361784142 [0,2,0,0,0,0|2,0,0]=4 441 B11R0.164 CCCCC(CC)COC(=O)C MCULE-1515060609 [0,2,0,0,0,0|0,0,2]=4 442 B9R1.8 OCCC1=CCOCC1 MCULE-5767637910 [1,0,0,1,0,0|1,0,1]=4 443 B9R1.15 CC1CC=CCC1C=O MCULE-7543573924 [1,0,0,1,0,0|1,0,0]=3 444 B9R1.15 CCC1CCCOC1=O MCULE-7711682964 [1,0,0,1,0,0|0,0,2]=4 445 B9R1.33 CCCC1=C(SC=C1)C MCULE-5500199146 [1,0,0,1,0,0|0,1,1]=4 446 B9R1.33 CNCC1=C(OC=C1)C MCULE-9378722524 [1,0,0,1,0,0|1,0,1]=4 447 B9R1.33 CNCC1=C(ON=C1)C MCULE-6711825843 [1,0,0,1,0,0|2,0,0]=4 448 B9R1.50 O=C1CCCCCCO1 MCULE-5149380112 [1,0,0,1,0,0|0,0,2]=4 449 B9R1.2 CCC1CC(=O)CCN1 MCULE-1220676585 [1,0,0,1,0,0|1,0,1]=4 450 B9R1.2 CCC1CC(=O)CCN1 MCULE-3141090997 [1,0,0,1,0,0|1,0,1]=4 451 B9R1.2 CCC1CC(=O)CCO1 MCULE-5885330152 [1,0,0,1,0,0|1,0,1]=4 452 B9R1.2 CCC1CCCC(=O)C1 MCULE-2309757845 [1,0,0,1,0,0|0,0,2]=4 453 B9R1.2 CCC1CCNC(=O)C1 MCULE-7827721769 [1,0,0,1,0,0|1,0,1]=4 454 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-6816021578 [1,0,0,1,0,0|1,0,1]=4 455 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-7481609929 [1,0,0,1,0,0|1,0,1]=4 456 B9R1.2 CC[C@@H]1CCCC(=O)C1 MCULE-3781767777 [1,0,0,1,0,0|0,0,2]=4 457 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-1797323490 [1,0,0,1,0,0|1,0,1]=4 458 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-7692205564 [1,0,0,1,0,0|1,0,1]=4 459 B9R1.2 CC[C@H]1CCCC(=O)C1 MCULE-5055612080 [1,0,0,1,0,0|0,0,2]=4 460 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [1,0,0,1,0,0|2,0,0]=4 461 B9R1.6 CC(=O)C1=CCCCC1 MCULE-9958324589 [1,0,0,1,0,0|0,0,2]=4 462 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [1,0,0,1,0,0|0,0,2]=4 463 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [1,0,0,1,0,0|1,0,1]=4 464 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [1,0,0,1,0,0|1,0,1]=4 465 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [1,0,0,1,0,0|1,0,1]=4 466 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [1,0,0,1,0,0|1,0,1]=4 467 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [1,0,0,1,0,0|1,0,1]=4 468 B9R1.6 CC(=O)C1CCCOC1 MCULE-8355092375 [1,0,0,1,0,0|1,0,1]=4 469 B9R1.6 CC(=O)N1CCCCC1 MCULE-2376049669 [1,0,0,1,0,0|1,0,1]=4 470 B9R1.6 CC(=O)N1CCCNC1 MCULE-1504945403 [1,0,0,1,0,0|2,0,0]=4 471 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [1,0,0,1,0,0|1,0,1]=4 472 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [1,0,0,1,0,0|1,0,1]=4 473 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [1,0,0,1,0,0|1,0,1]=4 474 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [1,0,0,1,0,0|1,0,1]=4 475 B9R1.6 NC(=O)C1CC=CCC1 MCULE-5613786218 [1,0,0,1,0,0|2,0,0]=4 476 B9R1.6 O=C(Cl)C1CC=CCC1 MCULE-2173469232 [1,0,0,1,0,0|2,0,0]=4 477 B9R1.6 O=C(Cl)N1CC=CCC1 MCULE-3457683223 [1,0,0,1,0,0|2,0,0]=4 478 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [1,0,0,1,0,0|1,0,0]=3 479 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [1,0,0,1,0,0|2,0,0]=4 480 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [1,0,0,1,0,0|2,0,0]=4 481 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [1,0,0,1,0,0|2,0,0]=4 482 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [1,0,0,1,0,0|2,0,0]=4 483 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [1,0,0,1,0,0|2,0,0]=4 484 B9R1.7 CCCC1=CC(=O)OC1 MCULE-9632653901 [1,0,0,1,0,0|0,0,1]=3 485 B9R1.7 CCCC1=CNC(=O)N1 MCULE-8169404925 [1,0,0,1,0,0|2,0,0]=4 486 B9R1.7 CCCC1=NNC(=O)C1 MCULE-6627613862 [1,0,0,1,0,0|2,0,0]=4 487 B9R1.7 CCCC1CCC(=O)C1 MCULE-9793680877 [1,0,0,1,0,0|0,0,2]=4 488 B9R1.7 CCCC1CNC(=O)C1 MCULE-4931707298 [1,0,0,1,0,0|1,0,1]=4 489 B9R1.7 CCCC1COC(=O)C1 MCULE-1327483782 [1,0,0,1,0,0|0,0,1]=3 490 B9R1.7 CCCC1COC(=O)C1 MCULE-2912518782 [1,0,0,1,0,0|0,0,1]=3 491 B9R1.7 CCCC1COC(=O)O1 MCULE-7663556618 [1,0,0,1,0,0|1,0,1]=4 492 B9R1.7 CCC[C@@H]1COC(=O)C1 MCULE-3295643630 [1,0,0,1,0,0|0,0,1]=3 493 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4217358413 [1,0,0,1,0,0|0,0,1]=3 494 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4815713221 [1,0,0,1,0,0|0,0,1]=3 495 B9R1.7 CNCC1=COC(=N1)C MCULE-2856883493 [1,0,0,1,0,0|2,0,0]=4 496 B9R1.7 O=C1CC=C(O1)CCO MCULE-5445350928 [1,0,0,1,0,0|2,0,0]=4 497 B9R1.13 CC(=O)C=C1CCCC1 MCULE-1647139252 [1,0,0,1,0,0|0,0,2]=4 498 B9R1.13 CC(=O)CC1C=CCC1 MCULE-6918580278 [1,0,0,1,0,0|1,0,0]=3 499 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [1,0,0,1,0,0|0,0,2]=4 500 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [1,0,0,1,0,0|1,0,1]=4 501 B9R1.13 CC(=O)CN1CCCC1 MCULE-7257105125 [1,0,0,1,0,0|1,0,1]=4 502 B9R1.13 CC(=O)NC1CCCC1 MCULE-5984597819 [1,0,0,1,0,0|1,0,1]=4 503 B9R1.13 CC(=O)OC1C=CCC1 MCULE-5058666304 [1,0,0,1,0,0|0,0,0]=2 504 B9R1.13 CC(=O)OC1CCCC1 MCULE-7737656947 [1,0,0,1,0,0|0,0,1]=3 505 B9R1.13 CC(=O)OC1CCCO1 MCULE-9160883410 [1,0,0,1,0,0|1,0,0]=3 506 B9R1.13 CC(=O)OC1CCNC1 MCULE-3149020197 [1,0,0,1,0,0|1,0,1]=4 507 B9R1.13 CC(=O)OC1CCNC1 MCULE-9159124706 [1,0,0,1,0,0|1,0,1]=4 508 B9R1.13 NC(=O)OC1CCCC1 MCULE-7706681395 [1,0,0,1,0,0|1,0,1]=4 509 B9R1.13 O=C(Cl)OC1CCCC1 MCULE-2692212922 [1,0,0,1,0,0|1,0,1]=4 510 B9R1.13 O=C(O)CC1=CCCC1 MCULE-5115478269 [1,0,0,1,0,0|1,0,0]=3 511 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [1,0,0,1,0,0|2,0,0]=4 512 B9R1.41 CN1CC=CC1C(=O)O MCULE-5525753116 [1,0,0,1,0,0|2,0,0]=4 513 B9R1.41 CN1CC=CC1C(=O)O MCULE-8585806688 [1,0,0,1,0,0|2,0,0]=4 514 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [1,0,0,1,0,0|0,0,2]=4 515 B11R1.15 CCOC(=O)C1=NOC(=O)C1 MCULE-5330238306 [0,1,0,1,0,0|2,0,0]=4 516 B11R1.90 CC(=O)OCC1CCCC1=O MCULE-4927538926 [0,1,0,1,0,0|0,0,1]=3 517 B11R1.124 CCCC1=CC=C(S1)C(=O)C MCULE-7410507287 [0,1,0,1,0,0|1,0,1]=4 518 B11R1.157 CC(=O)CC1CCCC(=O)N1 MCULE-4485387072 [0,1,0,1,0,0|2,0,0]=4 519 B11R1.157 CC(=O)OC1=CC(=O)CCC1 MCULE-8679821609 [0,1,0,1,0,0|0,0,1]=3 520 B11R1.565 CC(=O)N1CCCC(=O)CC1 MCULE-4242660585 [0,1,0,1,0,0|1,0,1]=4 521 B11R1.27 CCCCCC1CCC(=O)O1 MCULE-8658118167 [0,1,0,1,0,0|0,0,2]=4 522 B11R1.27 CCCCC[C@H]1CCC(=O)O1 MCULE-5773106371 [0,1,0,1,0,0|0,0,2]=4 523 B11R1.86 C=C1CCCCC1OC(=O)C MCULE-7569773898 [0,1,0,1,0,0|0,0,1]=3 524 B11R1.86 CC(=O)CC1CCCCC1=O MCULE-3575915774 [0,1,0,1,0,0|1,0,1]=4 525 B11R1.86 CC(=O)OC1CCCCC1C MCULE-6335382849 [0,1,0,1,0,0|0,0,2]=4 526 B11R1.91 CC(=O)OCC1CCCCC1 MCULE-4442955915 [0,1,0,1,0,0|0,0,2]=4 527 B11R1.91 CC(=O)OCC1CCCCO1 MCULE-2769100863 [0,1,0,1,0,0|0,0,2]=4 528 B11R1.91 CC(=O)OCC1CCCNC1 MCULE-3753425352 [0,1,0,1,0,0|0,0,2]=4 529 B11R1.91 CC(=O)OCC1CCCNC1 MCULE-8547366652 [0,1,0,1,0,0|0,0,2]=4 530 B11R1.91 CC(=O)OCC1CCNCC1 MCULE-2805518931 [0,1,0,1,0,0|0,0,2]=4 531 B11R1.91 CC(=O)OCC1CCNCC1 MCULE-5312831696 [0,1,0,1,0,0|0,0,2]=4 532 B11R1.91 O=C(O)CCC1=CCCCC1 MCULE-1237781222 [0,1,0,1,0,0|2,0,0]=4 533 B11R1.271 CC(=O)OCC1CCC1CO MCULE-3822015939 [0,1,0,1,0,0|0,0,2]=4 534 B11R1.271 CC(=O)OC[C@@H]1CC[C@@H]1CO MCULE-5099941328 [0,1,0,1,0,0|0,0,2]=4 535 B11R1.271 CC(=O)OC[C@@H]1CC[C@H]1CO MCULE-3952027442 [0,1,0,1,0,0|0,0,2]=4 536 B11R1.271 CC(=O)OC[C@@H]1CC[C@H]1CO MCULE-7127600773 [0,1,0,1,0,0|0,0,2]=4 537 B11R1.271 CC(=O)OC[C@H]1CC[C@H]1CO MCULE-1827946489 [0,1,0,1,0,0|0,0,2]=4 538 B11R1.706 O=C(O)C1CCC=CCCC1 MCULE-1202438669 [0,1,0,1,0,0|2,0,0]=4 539 B11R1.20 CC(=O)OC1C=CC(=O)CO1 MCULE-2703877400 [0,1,0,1,0,0|1,0,1]=4 540 B11R1.25 CCC(=O)OCC1CCCO1 MCULE-8604878125 [0,1,0,1,0,0|1,0,1]=4 541 B11R1.25 O=C(CCl)OCC1CCCO1 MCULE-6341533909 [0,1,0,1,0,0|1,0,1]=4 542 B11R1.40 CCC(=O)OC1CCCCC1 MCULE-4878482925 [0,1,0,1,0,0|0,0,2]=4 543 B11R1.40 CCC(=O)OC1CCCNC1 MCULE-2681504639 [0,1,0,1,0,0|1,0,1]=4 544 B11R1.40 CCC(=O)OC1CCCNC1 MCULE-4017551904 [0,1,0,1,0,0|1,0,1]=4 545 B11R1.40 NCC(=O)OC1CCCCC1 MCULE-4537183431 [0,1,0,1,0,0|0,0,2]=4 546 B11R1.40 NCC(=O)OC1CCCCC1 MCULE-8617505912 [0,1,0,1,0,0|0,0,2]=4 547 B11R1.40 O=C(CCl)OC1CCCCC1 MCULE-6110187916 [0,1,0,1,0,0|0,0,2]=4 548 B11R1.40 O=C(CCl)OC1CCCNC1 MCULE-2595856950 [0,1,0,1,0,0|1,0,1]=4 549 B11R1.40 O=C(CCl)OC1CCCNC1 MCULE-4278804817 [0,1,0,1,0,0|1,0,1]=4 550 B11R1.40 O=C(CS)OC1CCCCC1 MCULE-1157718305 [0,1,0,1,0,0|0,0,2]=4 551 B11R1.212 CCCNC1=C(C(=O)CC1)C MCULE-5201075380 [0,1,0,1,0,0|2,0,0]=4 552 B11R1.222 COC(=O)C1CC=CCC1N MCULE-2910715817 [0,1,0,1,0,0|2,0,0]=4 553 B11R1.222 COC(=O)C1CC=CCC1N MCULE-8325331359 [0,1,0,1,0,0|2,0,0]=4 554 B11R1.35 NC(CC1=CCCC1)C(=O)O MCULE-1666440268 [0,1,0,1,0,0|2,0,0]=4 555 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-1528714518 [0,1,0,1,0,0|2,0,0]=4 556 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-5537876142 [0,1,0,1,0,0|2,0,0]=4 557 B11R1.497 CC(=O)C1CCCCC(=O)C1 MCULE-8090726810 [0,1,0,1,0,0|1,0,1]=4 558 B11R1.346 CC(=O)OCC(=O)N1CCC1 MCULE-1561094355 [0,1,0,1,0,0|1,0,0]=3 559 B11R2.48 O=C1OC2C=CCC1CC2 MCULE-6582262450 [0,0,0,2,0,0|2,0,0]=4 560 B11R2.1 O=C1OCC2=C1CCCN2 MCULE-1356191286 [0,0,0,2,0,0|1,0,1]=4 561 B11R2.1 O=C1OCC2C1CCCC2 MCULE-3625572177 [0,0,0,2,0,0|0,0,2]=4 562 B11R2.1 [C@H]12CCCC[C@H]1COC2=O MCULE-7096465884 [0,0,0,2,0,0|0,0,2]=4