0 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.4 C#CCCCC(C)O MCULE-7136902430 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 C#CCCC[C@@H](C)O MCULE-3650631732 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.4 C#CCCNC(=O)C MCULE-2003551338 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 C#CCCNC(=O)N MCULE-3889590992 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 C#CCCOC(=O)Cl MCULE-5894719916 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 C#CCCOC(=O)N MCULE-4721276092 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.4 C=C(Br)CCCC#N MCULE-6815008975 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.4 C=C(C)CCCC#N MCULE-2408925107 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.4 C=C(Cl)CCCC#N MCULE-4521775223 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.4 C=CCCCB(O)O MCULE-3337238704 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,0,0,0,0,0|1,0,1]=2 26 B7R0.4 C=CCCCC(C)O MCULE-6692920526 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.4 C=CCCCN(=O)=O MCULE-2477675285 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [0,0,0,0,0,0|1,0,2]=3 35 B7R0.4 CC(=C=CCCO)C MCULE-7603464206 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.4 CC(=CCCCO)C MCULE-5263952692 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [0,0,0,0,0,0|2,0,0]=2 39 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.4 CC(=O)CCN=N#N MCULE-3526103207 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.4 CC(=O)NCCC#N MCULE-1781318297 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [0,0,0,0,0,0|2,0,0]=2 50 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,0,0,0,0,0|2,0,0]=2 55 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [0,0,0,0,0,0|2,1,0]=3 56 B7R0.4 CC(=O)SCCC#N MCULE-4159295037 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,0,0,0,0,0|2,0,2]=4 58 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [0,0,0,0,0,0|2,0,0]=2 61 B7R0.4 CC(Br)CCCCO MCULE-2106751856 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.4 CC(C)CCCCBr MCULE-9236389539 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.4 CC(C)CCCCCl MCULE-5223516486 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.4 CC(C)CCCCN MCULE-3591523204 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.4 CC(C)CCCCO MCULE-9053698607 [0,0,0,0,0,0|2,0,1]=3 66 B7R0.4 CC(C)CNCCO MCULE-3948234461 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.4 CC(C)CNCCO MCULE-6673201049 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.4 CC(C)COCCO MCULE-2997702641 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.4 CC(C)CSCCO MCULE-5481216581 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.4 CC(C)NCCCO MCULE-4556994899 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.4 CC(C)NCCCO MCULE-9550690390 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.4 CC(C)OCCCO MCULE-9280654202 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.4 CC(C)SCCCO MCULE-4296249117 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.4 CC(Cl)CCCCCl MCULE-4829013540 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.4 CC(N)CCCCN MCULE-3497267062 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.4 CC(N)CCCCN MCULE-9887360104 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.4 CC(N)CCCCO MCULE-7039935081 [0,0,0,0,0,0|2,0,1]=3 78 B7R0.4 CC(N)CCCCO MCULE-8167834378 [0,0,0,0,0,0|2,0,1]=3 79 B7R0.4 CC(O)CCCCO MCULE-3790969400 [0,0,0,0,0,0|1,0,1]=2 80 B7R0.4 CC(O)CNCCN MCULE-3904214677 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.4 CC(O)CNCCO MCULE-4873845500 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.4 CC(O)CSCCO MCULE-8885458360 [0,0,0,0,0,0|2,0,1]=3 83 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,0,0,0,0,0|1,0,2]=3 84 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,0,0,0,0,0|2,0,2]=4 85 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,0,0,0,0,0|1,0,2]=3 86 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [0,0,0,0,0,0|1,0,2]=3 87 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,0,0,0,0,0|2,0,2]=4 88 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [0,0,0,0,0,0|2,0,2]=4 89 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,0,0,0,0,0|1,0,2]=3 90 B7R0.4 CCCCCB(O)O MCULE-3441747739 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [0,0,0,0,0,0|3,0,0]=3 92 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [0,0,0,0,0,0|3,0,0]=3 93 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [0,0,0,0,0,0|2,0,0]=2 94 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [0,0,0,0,0,0|2,0,0]=2 95 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,0,0,0,0,0|2,0,0]=2 96 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [0,0,0,0,0,0|1,0,0]=1 97 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [0,0,0,0,0,0|1,0,1]=2 98 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [0,0,0,0,0,0|1,0,1]=2 99 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [0,0,0,0,0,0|2,1,0]=3 100 B7R0.4 CCCCCC(C)Br MCULE-4688847972 [0,0,0,0,0,0|3,0,1]=4 101 B7R0.4 CCCCCC(C)C MCULE-9815158757 [0,0,0,0,0,0|3,0,1]=4 102 B7R0.4 CCCCCC(C)Cl MCULE-1461261404 [0,0,0,0,0,0|3,0,1]=4 103 B7R0.4 CCCCCC(C)N MCULE-1307982487 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.4 CCCCCC(C)N MCULE-8625441795 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.4 CCCCCC(C)N MCULE-9791654909 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.4 CCCCCC(C)O MCULE-2463855771 [0,0,0,0,0,0|2,0,1]=3 107 B7R0.4 CCCCCC(C)S MCULE-3173115736 [0,0,0,0,0,0|2,1,1]=4 108 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [0,0,0,0,0,0|2,0,1]=3 109 B7R0.4 CCCCCP(Cl)Cl MCULE-9695212092 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.4 CCCCC[C@@H](C)N MCULE-2460238945 [0,0,0,0,0,0|3,0,1]=4 111 B7R0.4 CCCCC[C@@H](C)N MCULE-6386771130 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.4 CCCCC[C@@H](C)N MCULE-6470246577 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [0,0,0,0,0,0|2,0,1]=3 114 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [0,0,0,0,0,0|2,0,1]=3 115 B7R0.4 CCCCC[C@H](C)N MCULE-8119988811 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.4 CCCCC[C@H](C)N MCULE-9987283826 [0,0,0,0,0,0|3,0,1]=4 117 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [0,0,0,0,0,0|2,0,1]=3 118 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [0,0,0,0,0,0|2,0,1]=3 119 B7R0.4 CCCCNC(=N)N MCULE-4548909930 [0,0,0,0,0,0|4,0,0]=4 120 B7R0.4 CCCCNC(=N)N MCULE-4773969181 [0,0,0,0,0,0|4,0,0]=4 121 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [0,0,0,0,0,0|3,0,0]=3 122 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [0,0,0,0,0,0|3,0,0]=3 123 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,0,0,0,0,0|3,0,0]=3 124 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [0,0,0,0,0,0|3,1,0]=4 125 B7R0.4 CCCCNN(=O)=O MCULE-2055512271 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,0,0,0,0,0|3,0,0]=3 127 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,0,0,0,0,0|3,0,0]=3 129 B7R0.4 CCCCOC(=S)[S-] MCULE-2197583773 [0,0,0,0,0,0|2,2,0]=4 130 B7R0.4 CCCCOC(=S)[S-] MCULE-3219674247 [0,0,0,0,0,0|2,2,0]=4 131 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.4 CCCCSC(=N)N MCULE-1202813594 [0,0,0,0,0,0|4,0,0]=4 133 B7R0.4 CCCCSC(=N)N MCULE-6798856505 [0,0,0,0,0,0|4,0,0]=4 134 B7R0.4 CCCCSC(=N)N MCULE-8701506154 [0,0,0,0,0,0|4,0,0]=4 135 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [0,0,0,0,0,0|3,0,0]=3 136 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [0,0,0,0,0,0|3,0,0]=3 137 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [0,0,0,0,0,0|3,0,0]=3 138 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [0,0,0,0,0,0|3,0,0]=3 139 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [0,0,0,0,0,0|2,0,0]=2 140 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [0,0,0,0,0,0|2,0,0]=2 141 B7R0.4 CCCNCC(C)O MCULE-8110237473 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,0,0,0,0,0|2,0,0]=2 143 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [0,0,0,0,0,0|3,1,0]=4 144 B7R0.4 CCCOCC(C)O MCULE-9214840563 [0,0,0,0,0,0|3,0,1]=4 145 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [0,0,0,0,0,0|3,0,0]=3 146 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,0,0,0,0,0|2,0,0]=2 147 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,0,0,0,0,0|3,0,0]=3 148 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,0,0,0,0,0|3,0,0]=3 149 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,0,0,0,0,0|2,0,0]=2 150 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,0,0,0,0,0|2,0,0]=2 151 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,0,0,0,0,0|2,0,2]=4 152 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,0,0,0,0,0|2,0,2]=4 153 B7R0.4 CCOCCC(=N)N MCULE-4926091113 [0,0,0,0,0,0|4,0,0]=4 154 B7R0.4 CCOCCC(=N)N MCULE-8590303415 [0,0,0,0,0,0|4,0,0]=4 155 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,0,0,0,0,0|3,0,0]=3 156 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [0,0,0,0,0,0|3,0,0]=3 157 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,0,0,0,0,0|2,0,0]=2 158 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [0,0,0,0,0,0|4,0,0]=4 159 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,0,0,0,0,0|2,0,0]=2 160 B7R0.4 CN(C)CCCCBr MCULE-3700239066 [0,0,0,0,0,0|4,0,0]=4 161 B7R0.4 CN(C)CCCCBr MCULE-5243977766 [0,0,0,0,0,0|4,0,0]=4 162 B7R0.4 CN(C)CCCCCl MCULE-5038597183 [0,0,0,0,0,0|4,0,0]=4 163 B7R0.4 CN(C)CCCCCl MCULE-8885080954 [0,0,0,0,0,0|4,0,0]=4 164 B7R0.4 CN(C)CCCCN MCULE-4457571368 [0,0,0,0,0,0|4,0,0]=4 165 B7R0.4 CN(C)CCCCN MCULE-9067239115 [0,0,0,0,0,0|4,0,0]=4 166 B7R0.4 CN(C)CCCCO MCULE-6973654872 [0,0,0,0,0,0|3,0,0]=3 167 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,0,0,0,0,0|3,0,0]=3 168 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,0,0,0,0,0|3,0,0]=3 169 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,0,0,0,0,0|2,0,0]=2 170 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,0,0,0,0,0|2,0,0]=2 171 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [0,0,0,0,0,0|4,0,0]=4 172 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [0,0,0,0,0,0|4,0,0]=4 173 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [0,0,0,0,0,0|4,0,0]=4 174 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [0,0,0,0,0,0|4,0,0]=4 175 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,0,0,0,0,0|2,0,2]=4 176 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [0,0,0,0,0,0|2,0,2]=4 177 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,0,0,0,0,0|2,0,2]=4 178 B7R0.4 COCCCC(=O)C MCULE-3606369396 [0,0,0,0,0,0|3,0,0]=3 179 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,0,0,0,0,0|2,0,0]=2 180 B7R0.4 COCCCC(=S)N MCULE-5066867181 [0,0,0,0,0,0|3,1,0]=4 181 B7R0.4 COCCCC(C)O MCULE-4190294636 [0,0,0,0,0,0|3,0,1]=4 182 B7R0.4 COCCNC(=O)C MCULE-2794263612 [0,0,0,0,0,0|4,0,0]=4 183 B7R0.4 COCCNC(=O)N MCULE-1380726553 [0,0,0,0,0,0|4,0,0]=4 184 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,0,0,0,0,0|4,0,0]=4 185 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [0,0,0,0,0,0|4,0,0]=4 186 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,0,0,0,0,0|4,0,0]=4 187 B7R0.4 CS(=O)CCCC#N MCULE-9441417021 [0,0,0,0,0,0|3,0,1]=4 188 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,0,0,0,0,0|2,0,2]=4 189 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [0,0,0,0,0,0|2,0,0]=2 190 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [0,0,0,0,0,0|4,0,0]=4 191 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [0,0,0,0,0,0|4,0,0]=4 192 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [0,0,0,0,0,0|4,0,0]=4 193 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [0,0,0,0,0,0|3,0,0]=3 194 B7R0.4 N#CCCCB(O)O MCULE-7776098132 [0,0,0,0,0,0|2,0,2]=4 195 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [0,0,0,0,0,0|1,0,1]=2 196 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [0,0,0,0,0,0|2,0,1]=3 197 B7R0.4 N#CCSCC(=O)[O-] MCULE-2024793830 [0,0,0,0,0,0|2,0,2]=4 198 B7R0.4 N#N=NCCC(=O)Cl MCULE-3373595758 [0,0,0,0,0,0|4,0,0]=4 199 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [0,0,0,0,0,0|3,0,0]=3 200 B7R0.4 N=C(N)CCCCCl MCULE-4352194585 [0,0,0,0,0,0|3,0,0]=3 201 B7R0.4 N=C(N)CCCCCl MCULE-5262170460 [0,0,0,0,0,0|3,0,0]=3 202 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [0,0,0,0,0,0|2,0,0]=2 203 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [0,0,0,0,0,0|2,0,0]=2 204 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,0,0,0,0,0|1,0,0]=1 205 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,0,0,0,0,0|3,0,0]=3 206 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,0,0,0,0,0|2,0,0]=2 207 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [0,0,0,0,0,0|2,0,0]=2 208 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,0,0,0,0,0|2,0,0]=2 209 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,0,0,0,0,0|2,0,0]=2 210 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,0,0,0,0,0|2,0,0]=2 211 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,0,0,0,0,0|1,0,0]=1 212 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,0,0,0,0,0|1,0,0]=1 213 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,0,0,0,0,0|1,0,0]=1 214 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,0,0,0,0,0|1,0,0]=1 215 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,0,0,0,0,0|3,0,0]=3 216 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,0,0,0,0,0|3,0,0]=3 217 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [0,0,0,0,0,0|3,0,0]=3 218 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,0,0,0,0,0|2,0,0]=2 219 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,0,0,0,0,0|2,0,0]=2 220 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,0,0,0,0,0|2,0,0]=2 221 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,0,0,0,0,0|2,0,0]=2 222 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,0,0,0,0,0|2,0,0]=2 223 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,0,0,0,0,0|2,0,0]=2 224 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,0,0,0,0,0|2,0,0]=2 225 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,0,0,0,0,0|2,0,0]=2 226 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [0,0,0,0,0,0|2,0,0]=2 227 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [0,0,0,0,0,0|2,0,0]=2 228 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [0,0,0,0,0,0|2,0,0]=2 229 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [0,0,0,0,0,0|3,0,0]=3 230 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [0,0,0,0,0,0|3,0,0]=3 231 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [0,0,0,0,0,0|3,0,0]=3 232 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [0,0,0,0,0,0|0,0,2]=2 233 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,0,0,0,0,0|1,0,2]=3 234 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [0,0,0,0,0,0|1,0,0]=1 235 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [0,0,0,0,0,0|1,0,0]=1 236 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,0,0,0,0,0|0,0,0]=0 237 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [0,0,0,0,0,0|0,1,0]=1 238 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,0,0,0,0,0|1,0,0]=1 239 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,0,0,0,0,0|2,0,0]=2 240 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,0,0,0,0,0|2,0,0]=2 241 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,0,0,0,0,0|2,0,0]=2 242 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,0,0,0,0,0|1,0,0]=1 243 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,0,0,0,0,0|2,0,0]=2 244 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,0,0,0,0,0|1,0,0]=1 245 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [0,0,0,0,0,0|0,0,1]=1 246 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,0,0,0,0,0|1,0,1]=2 247 B7R0.4 O=C=NCCC(=O)Cl MCULE-4830401558 [0,0,0,0,0,0|2,0,2]=4 248 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,0,0,0,0,0|0,0,2]=2 249 B7R0.4 O=N(=O)CCCCBr MCULE-8310183286 [0,0,0,0,0,0|2,0,1]=3 250 B7R0.4 O=N(=O)CCCCCl MCULE-9069384470 [0,0,0,0,0,0|2,0,1]=3 251 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [0,0,0,0,0,0|1,0,1]=2 252 B7R0.4 O=N(=O)OCCCO MCULE-3030828224 [0,0,0,0,0,0|2,0,1]=3 253 B7R0.4 O=S(Cl)OCCCF MCULE-7923197186 [0,0,0,0,0,0|4,0,0]=4 254 B7R0.4 OB(O)CCCCBr MCULE-3231135677 [0,0,0,0,0,0|2,0,1]=3 255 B7R0.4 OCCNCC(F)F MCULE-3691382123 [0,0,0,0,0,0|3,0,1]=4 256 B7R0.4 OCCOCC(F)F MCULE-3170201998 [0,0,0,0,0,0|3,0,1]=4 257 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|1,0,2]=4 258 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,0,0,0,0,0|1,0,2]=4 259 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,0,0,0,0|1,0,2]=4 260 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|0,0,2]=3 261 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,0,0,0,0,0|0,0,3]=4 262 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|1,0,2]=4 263 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|1,0,2]=4 264 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|0,0,2]=3 265 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,0,0,0,0,0|3,0,0]=4 266 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,0,0,0,0,0|2,0,0]=3 267 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|2,0,0]=3 268 B6R0.4 C=C(C)CNCC MCULE-2237759977 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [1,0,0,0,0,0|3,0,0]=4 270 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,0,0,0,0,0|2,0,0]=3 271 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|0,0,3]=4 272 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|1,0,2]=4 273 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|1,0,2]=4 274 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|1,0,2]=4 275 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|0,0,2]=3 276 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|1,0,2]=4 277 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|0,0,2]=3 278 B6R0.4 CC(=CCCO)C MCULE-2493404466 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.4 CC(=CCCO)C MCULE-8497528596 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|1,0,2]=4 282 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|2,0,0]=3 283 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|2,0,0]=3 284 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|1,0,0]=2 285 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|2,0,0]=3 288 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,0,0,0,0|2,1,0]=4 289 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,0,0,0,0|3,0,0]=4 290 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,0,0,0,0|3,0,0]=4 291 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,0,0,0,0|3,0,0]=4 293 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|2,0,0]=3 294 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.4 CC(C)CCCO MCULE-5797993948 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [1,0,0,0,0,0|2,0,1]=4 300 B6R0.4 CC(N)CCCO MCULE-6629535696 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,0,0,0,0,0|2,0,1]=4 302 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,0,0,0,0,0|2,0,1]=4 303 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,0,0,0,0,0|2,0,1]=4 304 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|1,0,1]=3 305 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,0,0,0,0,0|1,0,2]=4 306 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|0,0,2]=3 307 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|0,0,2]=3 308 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [1,0,0,0,0,0|1,0,2]=4 309 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,0,0,0,0|0,0,2]=3 310 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,0,0,0,0,0|1,0,2]=4 311 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,0,0,0,0,0|1,0,2]=4 312 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|0,0,2]=3 313 B6R0.4 CCCC=C(C)C MCULE-2110588796 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,0,0,0,0,0|1,0,1]=3 315 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,0,0,0,0,0|2,0,0]=3 316 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,0,0,0,0,0|2,0,0]=3 317 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|1,0,0]=2 318 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|1,0,0]=2 319 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|1,0,0]=2 320 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|1,0,0]=2 321 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|0,0,0]=1 322 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|0,0,1]=2 323 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,0,0,0,0,0|1,1,0]=3 324 B6R0.4 CCCCC(C)Br MCULE-3252474574 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.4 CCCCC(C)C MCULE-7568461039 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.4 CCCCC(C)N MCULE-5349371506 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.4 CCCCC(C)N MCULE-6696490028 [1,0,0,0,0,0|2,0,1]=4 329 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,0,0,0,0|1,0,1]=3 330 B6R0.4 CCCCC(C)S MCULE-4791681848 [1,0,0,0,0,0|1,1,1]=4 331 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [1,0,0,0,0,0|1,0,1]=3 332 B6R0.4 CCCCN(C)C MCULE-7202077639 [1,0,0,0,0,0|3,0,0]=4 333 B6R0.4 CCCCN(C)N MCULE-7927159797 [1,0,0,0,0,0|3,0,0]=4 334 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [1,0,0,0,0,0|1,0,1]=3 335 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [1,0,0,0,0,0|1,0,1]=3 336 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [1,0,0,0,0,0|2,0,1]=4 338 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,0,0,0,0|1,0,1]=3 339 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,0,0,0,0|1,0,1]=3 340 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,0,0,0,0|1,0,1]=3 343 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,0,0,0,0|1,0,1]=3 344 B6R0.4 CCCNC(=N)N MCULE-6381843991 [1,0,0,0,0,0|3,0,0]=4 345 B6R0.4 CCCNC(=N)N MCULE-8286774592 [1,0,0,0,0,0|3,0,0]=4 346 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|2,0,0]=3 347 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|2,0,0]=3 348 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|2,0,0]=3 349 B6R0.4 CCCNC(=S)N MCULE-3142756488 [1,0,0,0,0,0|2,1,0]=4 350 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|2,0,0]=3 351 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,0,0,0,0|2,0,0]=3 352 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|2,0,0]=3 353 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [1,0,0,0,0,0|1,2,0]=4 354 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [1,0,0,0,0,0|1,2,0]=4 355 B6R0.4 CCCON(=O)=O MCULE-3372904250 [1,0,0,0,0,0|2,0,1]=4 356 B6R0.4 CCCSC(=N)N MCULE-4777505658 [1,0,0,0,0,0|3,0,0]=4 357 B6R0.4 CCCSC(=N)N MCULE-8873393921 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|2,0,0]=3 359 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,0,0,0,0|2,0,0]=3 360 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [1,0,0,0,0,0|3,0,0]=4 361 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|2,0,0]=3 362 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|2,0,0]=3 363 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|2,0,0]=3 364 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|2,0,0]=3 365 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|1,0,0]=2 366 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|1,0,0]=2 367 B6R0.4 CCNCC(C)O MCULE-5078068369 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [1,0,0,0,0,0|2,0,1]=4 372 B6R0.4 CCOCC(=N)N MCULE-3232806707 [1,0,0,0,0,0|3,0,0]=4 373 B6R0.4 CCOCC(=N)N MCULE-4996987536 [1,0,0,0,0,0|3,0,0]=4 374 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|2,0,0]=3 375 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,0,0,0,0|2,0,0]=3 376 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|1,0,0]=2 377 B6R0.4 CCOCC(=S)N MCULE-7064672670 [1,0,0,0,0,0|2,1,0]=4 378 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,0,0,0,0,0|2,0,1]=4 379 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,0,0,0,0,0|2,0,1]=4 380 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|2,0,0]=3 381 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|1,0,0]=2 382 B6R0.4 CN(C)CCCO MCULE-7408728427 [1,0,0,0,0,0|3,0,0]=4 383 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|2,0,0]=3 384 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|2,0,0]=3 385 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|1,0,0]=2 386 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|1,0,0]=2 387 B6R0.4 CNCCC(C)O MCULE-1615526002 [1,0,0,0,0,0|2,0,1]=4 388 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,0,0,0,0,0|1,0,2]=4 389 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,0,0,0,0,0|1,0,2]=4 390 B6R0.4 COCCC(=N)N MCULE-8118559492 [1,0,0,0,0,0|3,0,0]=4 391 B6R0.4 COCCC(=N)N MCULE-9000138086 [1,0,0,0,0,0|3,0,0]=4 392 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|2,0,0]=3 393 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|2,0,0]=3 394 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|2,0,0]=3 395 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|1,0,0]=2 396 B6R0.4 COCCC(C)O MCULE-6536001437 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,0,0,0,0,0|3,0,0]=4 398 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,0,0,0,0,0|3,0,0]=4 399 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,0,0,0,0|2,0,1]=4 400 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,0,0,0,0,0|3,0,0]=4 401 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,0,0,0,0,0|3,0,0]=4 402 B6R0.4 CSCCC(=N)N MCULE-3926353306 [1,0,0,0,0,0|3,0,0]=4 403 B6R0.4 CSCCC(=N)N MCULE-4451485733 [1,0,0,0,0,0|3,0,0]=4 404 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|2,0,0]=3 405 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|2,0,0]=3 406 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|2,0,0]=3 407 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|1,0,0]=2 408 B6R0.4 CSCCC(C)O MCULE-5934844952 [1,0,0,0,0,0|2,0,1]=4 409 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,0,0,0,0,0|3,0,0]=4 410 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|2,0,0]=3 411 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [1,0,0,0,0,0|2,0,1]=4 412 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|1,0,1]=3 413 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|1,0,1]=3 414 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|2,0,1]=4 415 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|3,0,0]=4 416 B6R0.4 N=C(N)NCCO MCULE-5114367892 [1,0,0,0,0,0|3,0,0]=4 417 B6R0.4 N=C(N)NCCO MCULE-6389092248 [1,0,0,0,0,0|3,0,0]=4 418 B6R0.4 N=C(N)SCCO MCULE-5563309692 [1,0,0,0,0,0|3,0,0]=4 419 B6R0.4 N=C(N)SCCO MCULE-5671847690 [1,0,0,0,0,0|3,0,0]=4 420 B6R0.4 NC(=NCCO)N MCULE-5043697998 [1,0,0,0,0,0|3,0,0]=4 421 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|2,0,0]=3 422 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|1,0,0]=2 423 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,0,0,0,0,0|3,0,0]=4 424 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,0,0,0,0,0|3,0,0]=4 425 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|2,0,0]=3 426 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,0,0,0,0,0|3,0,0]=4 427 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|2,0,0]=3 428 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|1,1,0]=3 429 B6R0.4 NC(=S)NCCO MCULE-9343742573 [1,0,0,0,0,0|2,1,0]=4 430 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,0,0,0,0,0|1,0,2]=4 431 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,0,0,0,0,0|1,0,2]=4 432 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,0,0,0,0,0|1,0,2]=4 433 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,0,0,0,0,0|1,0,2]=4 434 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|2,0,0]=3 435 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|2,0,0]=3 436 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|2,0,0]=3 437 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|2,0,0]=3 438 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|1,0,0]=2 439 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|1,0,0]=2 440 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,0,0,0,0,0|3,0,0]=4 441 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,0,0,0,0,0|3,0,0]=4 442 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,0,0,0,0,0|3,0,0]=4 443 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,0,0,0,0,0|3,0,0]=4 444 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,0,0,0,0,0|3,0,0]=4 445 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|2,0,0]=3 446 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|2,0,0]=3 447 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|2,0,0]=3 448 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|2,0,0]=3 449 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,0,0,0,0,0|3,0,0]=4 450 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,0,0,0,0,0|3,0,0]=4 451 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,0,0,0,0,0|3,0,0]=4 452 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,0,0,0,0,0|1,0,2]=4 453 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,0,0,0,0,0|1,0,2]=4 454 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,0,0,0,0|0,0,2]=3 455 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,0,0,0,0,0|1,0,2]=4 456 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,0,0,0,0,0|1,0,2]=4 457 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,0,0,0,0,0|0,0,2]=3 458 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,0,0,0,0,0|1,0,2]=4 459 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,0,0,0,0,0|1,0,2]=4 460 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,0,0,0,0|0,0,2]=3 461 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|1,0,0]=2 462 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|1,0,0]=2 463 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|1,0,0]=2 464 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|1,0,0]=2 465 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|0,1,0]=2 466 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|1,0,0]=2 467 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|1,0,1]=3 468 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|1,0,1]=3 469 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|0,0,2]=3 470 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|1,0,2]=4 471 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [1,0,0,0,0,0|2,0,1]=4 472 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [1,0,0,0,0,0|2,0,1]=4 473 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|1,0,1]=3 474 B6R0.4 OCCCC(F)F MCULE-2972867290 [1,0,0,0,0,0|2,0,1]=4 475 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [1,0,0,0,0,0|2,0,1]=4 476 B6R0.6 BrCCCCCBr MCULE-7929769310 [1,0,0,0,0,0|2,0,1]=4 477 B6R0.6 C#CCCCC=C MCULE-2596375073 [1,0,0,0,0,0|2,0,1]=4 478 B6R0.6 C#CCCCC=O MCULE-4075029417 [1,0,0,0,0,0|1,0,1]=3 479 B6R0.6 C#CCCCCBr MCULE-9086746106 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.6 C#CCCCCC MCULE-7776756434 [1,0,0,0,0,0|2,0,1]=4 481 B6R0.6 C#CCCCCCl MCULE-3718113550 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.6 C#CCCCCI MCULE-6799128140 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.6 C#CCCCCN MCULE-1313888655 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.6 C#CCCCCN MCULE-5521830994 [1,0,0,0,0,0|2,0,1]=4 485 B6R0.6 C#CCCCCO MCULE-2977997146 [1,0,0,0,0,0|1,0,1]=3 486 B6R0.6 C#CCNCCO MCULE-4984192820 [1,0,0,0,0,0|2,0,1]=4 487 B6R0.6 C#CCOCCO MCULE-4502913039 [1,0,0,0,0,0|2,0,1]=4 488 B6R0.6 C#CCSCCO MCULE-6167723961 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.6 C/C=C/CCCC MCULE-6900331316 [1,0,0,0,0,0|2,0,1]=4 490 B6R0.6 C/C=C/CCCO MCULE-9865436125 [1,0,0,0,0,0|1,0,1]=3 491 B6R0.6 C/C=C\CCCC MCULE-8426867799 [1,0,0,0,0,0|2,0,1]=4 492 B6R0.6 C/C=C\CCCO MCULE-3169839661 [1,0,0,0,0,0|1,0,1]=3 493 B6R0.6 C=CC=CCCO MCULE-5956097722 [1,0,0,0,0,0|1,0,2]=4 494 B6R0.6 C=CCC#CCO MCULE-2958886356 [1,0,0,0,0,0|1,0,2]=4 495 B6R0.6 C=CCCCC#N MCULE-3708293792 [1,0,0,0,0,0|2,0,1]=4 496 B6R0.6 C=CCCCC=O MCULE-8676840281 [1,0,0,0,0,0|1,0,1]=3 497 B6R0.6 C=CCCCCBr MCULE-4313298656 [1,0,0,0,0,0|2,0,0]=3 498 B6R0.6 C=CCCCCC MCULE-5868303078 [1,0,0,0,0,0|2,0,0]=3 499 B6R0.6 C=CCCCCCl MCULE-7600727876 [1,0,0,0,0,0|2,0,0]=3 500 B6R0.6 C=CCCCCI MCULE-5694143061 [1,0,0,0,0,0|2,0,0]=3 501 B6R0.6 C=CCCCCN MCULE-1489231988 [1,0,0,0,0,0|2,0,0]=3 502 B6R0.6 C=CCCCCN MCULE-4288584778 [1,0,0,0,0,0|2,0,0]=3 503 B6R0.6 C=CCCCCO MCULE-3631432277 [1,0,0,0,0,0|1,0,0]=2 504 B6R0.6 C=CCCCNC MCULE-6696525157 [1,0,0,0,0,0|3,0,0]=4 505 B6R0.6 C=CCCCNC MCULE-7417274044 [1,0,0,0,0,0|3,0,0]=4 506 B6R0.6 C=CCCCON MCULE-6496647420 [1,0,0,0,0,0|3,0,0]=4 507 B6R0.6 C=CCCCON MCULE-7055713530 [1,0,0,0,0,0|3,0,0]=4 508 B6R0.6 C=CCNCCC MCULE-4239068147 [1,0,0,0,0,0|3,0,0]=4 509 B6R0.6 C=CCNCCC MCULE-9778489216 [1,0,0,0,0,0|3,0,0]=4 510 B6R0.6 C=CCNCCO MCULE-5860509324 [1,0,0,0,0,0|2,0,0]=3 511 B6R0.6 C=CCOCC=O MCULE-8507800253 [1,0,0,0,0,0|2,0,1]=4 512 B6R0.6 C=CCOCCBr MCULE-7565992230 [1,0,0,0,0,0|3,0,0]=4 513 B6R0.6 C=CCOCCCl MCULE-1353236332 [1,0,0,0,0,0|3,0,0]=4 514 B6R0.6 C=CCOCCI MCULE-8468439129 [1,0,0,0,0,0|3,0,0]=4 515 B6R0.6 C=CCOCCN MCULE-5411259412 [1,0,0,0,0,0|3,0,0]=4 516 B6R0.6 C=CCOCCN MCULE-9798285838 [1,0,0,0,0,0|3,0,0]=4 517 B6R0.6 C=CCOCCO MCULE-5718868633 [1,0,0,0,0,0|2,0,0]=3 518 B6R0.6 C=CCSCCC MCULE-3855352363 [1,0,0,0,0,0|3,0,0]=4 519 B6R0.6 C=CCSCCN MCULE-3972995930 [1,0,0,0,0,0|3,0,0]=4 520 B6R0.6 C=CCSCCN MCULE-9922932955 [1,0,0,0,0,0|3,0,0]=4 521 B6R0.6 C=COCCCC MCULE-2025922328 [1,0,0,0,0,0|3,0,0]=4 522 B6R0.6 C=COCCCN MCULE-1669664157 [1,0,0,0,0,0|3,0,0]=4 523 B6R0.6 C=COCCCO MCULE-8325617945 [1,0,0,0,0,0|2,0,0]=3 524 B6R0.6 CC#CCCCO MCULE-6502564684 [1,0,0,0,0,0|1,0,2]=4 525 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [1,0,0,0,0,0|1,0,2]=4 526 B6R0.6 CC=CCCCBr MCULE-1109208969 [1,0,0,0,0,0|2,0,1]=4 527 B6R0.6 CC=CCCCC MCULE-7277981733 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.6 CC=CCCCCl MCULE-7487798637 [1,0,0,0,0,0|2,0,1]=4 529 B6R0.6 CC=CCCCO MCULE-1401303632 [1,0,0,0,0,0|1,0,1]=3 530 B6R0.6 CCC#CCC=O MCULE-4049790039 [1,0,0,0,0,0|1,0,2]=4 531 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [1,0,0,0,0,0|1,0,2]=4 532 B6R0.6 CCC=CCC=O MCULE-5764198290 [1,0,0,0,0,0|1,0,2]=4 533 B6R0.6 CCCC=CC=O MCULE-5273169296 [1,0,0,0,0,0|1,0,2]=4 534 B6R0.6 CCCCCC#N MCULE-7596791521 [1,0,0,0,0,0|2,0,1]=4 535 B6R0.6 CCCCCC=O MCULE-6770578514 [1,0,0,0,0,0|1,0,0]=2 536 B6R0.6 CCCCCCBr MCULE-6022503394 [1,0,0,0,0,0|2,0,1]=4 537 B6R0.6 CCCCCCC MCULE-5817084747 [1,0,0,0,0,0|2,0,1]=4 538 B6R0.6 CCCCCCCl MCULE-3706149525 [1,0,0,0,0,0|2,0,1]=4 539 B6R0.6 CCCCCCF MCULE-4320903575 [1,0,0,0,0,0|2,0,1]=4 540 B6R0.6 CCCCCCI MCULE-1021236615 [1,0,0,0,0,0|2,0,1]=4 541 B6R0.6 CCCCCCN MCULE-2944455155 [1,0,0,0,0,0|2,0,1]=4 542 B6R0.6 CCCCCCN MCULE-6014217174 [1,0,0,0,0,0|2,0,1]=4 543 B6R0.6 CCCCCCN MCULE-6021451227 [1,0,0,0,0,0|2,0,1]=4 544 B6R0.6 CCCCCCO MCULE-4299150163 [1,0,0,0,0,0|1,0,1]=3 545 B6R0.6 CCCCCCS MCULE-5962964855 [1,0,0,0,0,0|1,1,1]=4 546 B6R0.6 CCCCCNC MCULE-8082703734 [1,0,0,0,0,0|3,0,0]=4 547 B6R0.6 CCCCCNN MCULE-5089668540 [1,0,0,0,0,0|3,0,0]=4 548 B6R0.6 CCCCCNN MCULE-7265120524 [1,0,0,0,0,0|3,0,0]=4 549 B6R0.6 CCCCCOC MCULE-3370181741 [1,0,0,0,0,0|3,0,0]=4 550 B6R0.6 CCCCCON MCULE-5372426564 [1,0,0,0,0,0|3,0,0]=4 551 B6R0.6 CCCCCON MCULE-8557641459 [1,0,0,0,0,0|3,0,0]=4 552 B6R0.6 CCCCCSC MCULE-6566108868 [1,0,0,0,0,0|3,0,0]=4 553 B6R0.6 CCCCN=C=O MCULE-3381327717 [1,0,0,0,0,0|2,0,1]=4 554 B6R0.6 CCCCNC=O MCULE-8821792924 [1,0,0,0,0,0|2,0,0]=3 555 B6R0.6 CCCCOC=O MCULE-4633421026 [1,0,0,0,0,0|2,0,0]=3 556 B6R0.6 CCCCON=O MCULE-9992790020 [1,0,0,0,0,0|3,0,0]=4 557 B6R0.6 CCCNCCO MCULE-4813687741 [1,0,0,0,0,0|2,0,1]=4 558 B6R0.6 CCCOCCO MCULE-3263526264 [1,0,0,0,0,0|2,0,1]=4 559 B6R0.6 CCCSCCO MCULE-8371796663 [1,0,0,0,0,0|2,0,1]=4 560 B6R0.6 CCNCCCO MCULE-3251610052 [1,0,0,0,0,0|2,0,1]=4 561 B6R0.6 CCOCCC=O MCULE-1664130148 [1,0,0,0,0,0|2,0,0]=3 562 B6R0.6 CCOCCCO MCULE-3077567484 [1,0,0,0,0,0|2,0,1]=4 563 B6R0.6 CCSCCC=O MCULE-2493452950 [1,0,0,0,0,0|2,0,0]=3 564 B6R0.6 CCSCCCO MCULE-6719011943 [1,0,0,0,0,0|2,0,1]=4 565 B6R0.6 CNCCCCBr MCULE-4148452640 [1,0,0,0,0,0|3,0,0]=4 566 B6R0.6 CNCCCCBr MCULE-8686440557 [1,0,0,0,0,0|3,0,0]=4 567 B6R0.6 CNCCCCCl MCULE-1170786568 [1,0,0,0,0,0|3,0,0]=4 568 B6R0.6 CNCCCCCl MCULE-1726466829 [1,0,0,0,0,0|3,0,0]=4 569 B6R0.6 CNCCCCN MCULE-2542685963 [1,0,0,0,0,0|3,0,0]=4 570 B6R0.6 CNCCCCN MCULE-7925344560 [1,0,0,0,0,0|3,0,0]=4 571 B6R0.6 CNCCCCO MCULE-9264393637 [1,0,0,0,0,0|2,0,0]=3 572 B6R0.6 COCCCC=O MCULE-2055914202 [1,0,0,0,0,0|2,0,0]=3 573 B6R0.6 COCCCCBr MCULE-7500019583 [1,0,0,0,0,0|3,0,0]=4 574 B6R0.6 COCCCCCl MCULE-3863170338 [1,0,0,0,0,0|3,0,0]=4 575 B6R0.6 COCCCCN MCULE-9584631056 [1,0,0,0,0,0|3,0,0]=4 576 B6R0.6 COCCCCO MCULE-2543196930 [1,0,0,0,0,0|2,0,0]=3 577 B6R0.6 COCCCCO MCULE-8659106280 [1,0,0,0,0,0|2,0,0]=3 578 B6R0.6 COCCNC=O MCULE-9003279073 [1,0,0,0,0,0|3,0,0]=4 579 B6R0.6 COCOCCO MCULE-8093241209 [1,0,0,0,0,0|3,0,0]=4 580 B6R0.6 CSCCCC=O MCULE-6353729217 [1,0,0,0,0,0|2,0,0]=3 581 B6R0.6 CSCCCCN MCULE-2391033479 [1,0,0,0,0,0|3,0,0]=4 582 B6R0.6 CSCCCCO MCULE-1045422424 [1,0,0,0,0,0|2,0,0]=3 583 B6R0.6 ClCCCCCBr MCULE-6767883252 [1,0,0,0,0,0|2,0,1]=4 584 B6R0.6 ClCCCCCCl MCULE-9302388009 [1,0,0,0,0,0|2,0,1]=4 585 B6R0.6 ClCCCCCI MCULE-2173931817 [1,0,0,0,0,0|2,0,1]=4 586 B6R0.6 FCCCCCBr MCULE-1314383985 [1,0,0,0,0,0|2,0,1]=4 587 B6R0.6 ICCCCCI MCULE-2889089700 [1,0,0,0,0,0|2,0,1]=4 588 B6R0.6 N#CCCCCBr MCULE-7152608116 [1,0,0,0,0,0|2,0,1]=4 589 B6R0.6 N#CCCCCCl MCULE-9317036806 [1,0,0,0,0,0|2,0,1]=4 590 B6R0.6 N#CCCCCF MCULE-1200512715 [1,0,0,0,0,0|2,0,1]=4 591 B6R0.6 N#CCCCCI MCULE-8000340428 [1,0,0,0,0,0|2,0,1]=4 592 B6R0.6 N#CCCCCN MCULE-4183048720 [1,0,0,0,0,0|2,0,1]=4 593 B6R0.6 N#CCCCCN MCULE-4775375165 [1,0,0,0,0,0|2,0,1]=4 594 B6R0.6 N#CCCCCO MCULE-4289736283 [1,0,0,0,0,0|1,0,1]=3 595 B6R0.6 N#CCCCCS MCULE-6284171080 [1,0,0,0,0,0|1,1,1]=4 596 B6R0.6 N#N=NCCCO MCULE-3148876760 [1,0,0,0,0,0|3,0,0]=4 597 B6R0.6 NCCCCCBr MCULE-3577483607 [1,0,0,0,0,0|2,0,1]=4 598 B6R0.6 NCCCCCBr MCULE-7572691537 [1,0,0,0,0,0|2,0,1]=4 599 B6R0.6 NCCCCCF MCULE-1057270243 [1,0,0,0,0,0|2,0,1]=4 600 B6R0.6 NCCCCCN MCULE-3785554987 [1,0,0,0,0,0|2,0,1]=4 601 B6R0.6 NCCCCCN MCULE-5173983982 [1,0,0,0,0,0|2,0,1]=4 602 B6R0.6 NCCCCCO MCULE-8877250712 [1,0,0,0,0,0|1,0,1]=3 603 B6R0.6 NCCCCCS MCULE-1813104379 [1,0,0,0,0,0|1,1,1]=4 604 B6R0.6 NCCCCCS MCULE-6081835870 [1,0,0,0,0,0|1,1,1]=4 605 B6R0.6 NCCCCNO MCULE-6478748569 [1,0,0,0,0,0|2,0,0]=3 606 B6R0.6 NCCCNC=O MCULE-9651299205 [1,0,0,0,0,0|2,0,0]=3 607 B6R0.6 NCCNCCO MCULE-2112359407 [1,0,0,0,0,0|2,0,1]=4 608 B6R0.6 NCCOCCO MCULE-1073574088 [1,0,0,0,0,0|2,0,1]=4 609 B6R0.6 NCCSCCO MCULE-1475378446 [1,0,0,0,0,0|2,0,1]=4 610 B6R0.6 NNCCCCO MCULE-3928748589 [1,0,0,0,0,0|2,0,0]=3 611 B6R0.6 O=C=NCCCCl MCULE-4158367269 [1,0,0,0,0,0|2,0,1]=4 612 B6R0.6 O=CCCCC=O MCULE-6802048757 [1,0,0,0,0,0|0,0,2]=3 613 B6R0.6 O=CCCCCCl MCULE-1257670284 [1,0,0,0,0,0|1,0,0]=2 614 B6R0.6 O=CCCCCO MCULE-7959082228 [1,0,0,0,0,0|0,0,0]=1 615 B6R0.6 O=CNCCCO MCULE-7926485528 [1,0,0,0,0,0|1,0,0]=2 616 B6R0.6 O=NCNCCO MCULE-4478167391 [1,0,0,0,0,0|2,0,0]=3 617 B6R0.6 OCCCCCBr MCULE-1444733196 [1,0,0,0,0,0|1,0,1]=3 618 B6R0.6 OCCCCCCl MCULE-5666058059 [1,0,0,0,0,0|1,0,1]=3 619 B6R0.6 OCCCCCF MCULE-9253204275 [1,0,0,0,0,0|1,0,1]=3 620 B6R0.6 OCCCCCI MCULE-8707758496 [1,0,0,0,0,0|1,0,1]=3 621 B6R0.6 OCCCCCO MCULE-1044076048 [1,0,0,0,0,0|0,0,1]=2 622 B6R0.6 OCCNCCCl MCULE-7809492267 [1,0,0,0,0,0|2,0,1]=4 623 B6R0.6 OCCNCCCl MCULE-9007709158 [1,0,0,0,0,0|2,0,1]=4 624 B6R0.6 OCCNCCO MCULE-9183096746 [1,0,0,0,0,0|1,0,1]=3 625 B6R0.6 OCCNCCO MCULE-9803420258 [1,0,0,0,0,0|1,0,1]=3 626 B6R0.6 OCCOCCBr MCULE-2641000270 [1,0,0,0,0,0|2,0,1]=4 627 B6R0.6 OCCOCCCl MCULE-7320539957 [1,0,0,0,0,0|2,0,1]=4 628 B6R0.6 OCCOCCF MCULE-1780385479 [1,0,0,0,0,0|2,0,1]=4 629 B6R0.6 OCCOCCI MCULE-1083607130 [1,0,0,0,0,0|2,0,1]=4 630 B6R0.6 OCCOCCO MCULE-1531783732 [1,0,0,0,0,0|1,0,1]=3 631 B6R0.6 OCCSCCO MCULE-5502656030 [1,0,0,0,0,0|1,0,1]=3 632 B6R0.6 OCCSCCS MCULE-4418561990 [1,0,0,0,0,0|1,1,1]=4 633 B6R0.6 SCCCCCS MCULE-4899719552 [1,0,0,0,0,0|0,2,1]=4 634 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,1,0,0,0,0|1,0,1]=3 635 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,1,0,0,0,0|1,0,1]=3 636 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,1,0,0,0,0|1,0,1]=3 637 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,1,0,0,0,0|1,0,1]=3 638 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,1,0,0,0,0|1,0,1]=3 639 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,1,0,0,0,0|1,0,1]=3 640 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,1,0,0,0,0|1,0,1]=3 641 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,1,0,0,0,0|1,0,1]=3 642 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,1,0,0,0,0|1,0,1]=3 643 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,1,0,0,0,0|1,0,1]=3 644 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,1,0,0,0,0|1,0,2]=4 645 B8R0.5 C=C(C)CC(C)CCC MCULE-7442491404 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,1,0,0,0,0|1,0,1]=3 647 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,1,0,0,0,0|1,0,1]=3 648 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,1,0,0,0,0|1,0,1]=3 649 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,1,0,0,0,0|1,0,1]=3 650 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,1,0,0,0,0|1,0,1]=3 651 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,1,0,0,0,0|1,0,1]=3 652 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,1,0,0,0,0|1,0,1]=3 653 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,1,0,0,0,0|1,0,1]=3 654 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,1,0,0,0,0|1,0,1]=3 655 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,1,0,0,0,0|1,0,1]=3 656 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,1,0,0,0,0|1,0,1]=3 657 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,1,0,0,0,0|1,0,1]=3 658 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,1,0,0,0,0|1,0,1]=3 659 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [0,1,0,0,0,0|2,0,0]=3 660 B8R0.5 CC(C)CC(C)CCO MCULE-4252029005 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.5 CC(C)CC(N)CCO MCULE-3556995407 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.5 CC(C)C[C@H](N)CCO MCULE-8336727873 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.5 CC(O)CC(O)CCO MCULE-4888514297 [0,1,0,0,0,0|1,0,1]=3 664 B8R0.5 CC(O)CN(C)CCO MCULE-4977568845 [0,1,0,0,0,0|2,0,1]=4 665 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,1,0,0,0,0|1,0,2]=4 666 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,1,0,0,0,0|1,0,2]=4 667 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,1,0,0,0,0|1,0,2]=4 668 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,1,0,0,0,0|1,0,1]=3 670 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,1,0,0,0,0|2,0,0]=3 671 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,1,0,0,0,0|1,0,0]=2 672 B8R0.5 CCCC(C)CC(C)O MCULE-3968478752 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [0,1,0,0,0,0|3,0,0]=4 674 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [0,1,0,0,0,0|3,0,0]=4 675 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [0,1,0,0,0,0|3,0,0]=4 676 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,1,0,0,0,0|1,0,0]=2 677 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,1,0,0,0,0|1,0,0]=2 678 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,1,0,0,0,0|1,0,0]=2 679 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,1,0,0,0,0|1,0,0]=2 680 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,1,0,0,0,0|1,0,0]=2 681 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,1,0,0,0,0|2,0,0]=3 682 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,1,0,0,0,0|2,0,0]=3 683 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,1,0,0,0,0|2,0,0]=3 684 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,1,0,0,0,0|1,0,0]=2 685 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,1,0,0,0,0|1,0,0]=2 686 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,1,0,0,0,0|1,0,0]=2 687 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,1,0,0,0,0|1,0,0]=2 688 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,1,0,0,0,0|1,0,0]=2 689 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,1,0,0,0,0|2,0,0]=3 692 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,1,0,0,0,0|2,0,1]=4 693 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,1,0,0,0,0|2,0,0]=3 694 B8R0.5 CN(C)CC(N)CCO MCULE-6705437586 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,1,0,0,0,0|1,0,0]=2 696 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,1,0,0,0,0|2,0,0]=3 697 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,1,0,0,0,0|2,0,0]=3 698 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,1,0,0,0,0|2,0,0]=3 699 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,1,0,0,0,0|1,0,0]=2 700 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,1,0,0,0,0|1,0,0]=2 701 B8R0.6 C#CC(O)CCCCC MCULE-3860216745 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.6 C#CC(O)CCCCC MCULE-6741270715 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.6 C#CCCCC(=O)NN MCULE-3070314826 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.6 C#CCCCC(=O)N[NH3+] MCULE-8856249693 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.6 C#CCCCC(=O)OC MCULE-1834140672 [0,1,0,0,0,0|1,0,1]=3 706 B8R0.6 C#CCCNC(=O)OC MCULE-4643907894 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.6 C#CCOCC(=O)OC MCULE-8743984162 [0,1,0,0,0,0|2,0,1]=4 708 B8R0.6 C#C[C@@H](O)CCCCC MCULE-2098834943 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.6 C#C[C@@H](O)CCCCC MCULE-4627033805 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.6 C#C[C@H](O)CCCCC MCULE-6006340759 [0,1,0,0,0,0|2,0,1]=4 711 B8R0.6 C#C[C@H](O)CCCCC MCULE-8399407443 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.6 C=CC(=O)CCCCC MCULE-9094274880 [0,1,0,0,0,0|2,0,0]=3 713 B8R0.6 C=CC(=O)NCCCC MCULE-9365109925 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.6 C=CC(=O)OCCCC MCULE-6944090543 [0,1,0,0,0,0|3,0,0]=4 715 B8R0.6 C=CC(=O)OCCCO MCULE-7957370216 [0,1,0,0,0,0|2,0,0]=3 716 B8R0.6 C=CC(O)CCCCC MCULE-3974016765 [0,1,0,0,0,0|2,0,1]=4 717 B8R0.6 C=CCCCC(=O)OC MCULE-4913183131 [0,1,0,0,0,0|1,0,1]=3 718 B8R0.6 C=CCOCC(=O)OC MCULE-7670885186 [0,1,0,0,0,0|2,0,1]=4 719 B8R0.6 C=CCSCC(=O)OC MCULE-3363963029 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.6 CCC(C)CCCCO MCULE-9107164434 [0,1,0,0,0,0|2,0,1]=4 721 B8R0.6 CCC/C=C/C(=O)OC MCULE-6273561448 [0,1,0,0,0,0|1,0,2]=4 722 B8R0.6 CCC=CCC(=O)OC MCULE-6432541061 [0,1,0,0,0,0|1,0,2]=4 723 B8R0.6 CCCC#CC(=O)OC MCULE-1573744334 [0,1,0,0,0,0|1,0,2]=4 724 B8R0.6 CCCC=CC(=O)OC MCULE-1227063444 [0,1,0,0,0,0|1,0,2]=4 725 B8R0.6 CCCCCC(=N)NO MCULE-4721600537 [0,1,0,0,0,0|2,0,0]=3 726 B8R0.6 CCCCCC(=O)CBr MCULE-6642335283 [0,1,0,0,0,0|2,0,0]=3 727 B8R0.6 CCCCCC(=O)CC MCULE-2012071553 [0,1,0,0,0,0|2,0,0]=3 728 B8R0.6 CCCCCC(=O)NN MCULE-3138841743 [0,1,0,0,0,0|2,0,0]=3 729 B8R0.6 CCCCCC(=O)NO MCULE-8432990947 [0,1,0,0,0,0|1,0,0]=2 730 B8R0.6 CCCCCC(=O)OC MCULE-2317616388 [0,1,0,0,0,0|1,0,0]=2 731 B8R0.6 CCCCCC(C)CO MCULE-4884757032 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.6 CCCCCC(O)CC MCULE-6682377557 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.6 CCCCCC(O)CCl MCULE-5610334497 [0,1,0,0,0,0|2,0,1]=4 734 B8R0.6 CCCCCC(O)CN MCULE-6091710122 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.6 CCCCCC(O)CO MCULE-4124719814 [0,1,0,0,0,0|1,0,2]=4 736 B8R0.6 CCCCCN(C)N=O MCULE-6706578173 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.6 CCCCNC(=O)CBr MCULE-4128795630 [0,1,0,0,0,0|3,0,0]=4 738 B8R0.6 CCCCNC(=O)CC MCULE-3176114265 [0,1,0,0,0,0|3,0,0]=4 739 B8R0.6 CCCCNC(=O)CCl MCULE-6162581938 [0,1,0,0,0,0|3,0,0]=4 740 B8R0.6 CCCCNC(=O)CN MCULE-2730890796 [0,1,0,0,0,0|3,0,0]=4 741 B8R0.6 CCCCNC(=O)CN MCULE-8794795131 [0,1,0,0,0,0|3,0,0]=4 742 B8R0.6 CCCCNC(=O)NC MCULE-7920588549 [0,1,0,0,0,0|3,0,0]=4 743 B8R0.6 CCCCNC(=O)NN MCULE-2049505984 [0,1,0,0,0,0|3,0,0]=4 744 B8R0.6 CCCCOC(=O)C=O MCULE-1707513945 [0,1,0,0,0,0|2,0,1]=4 745 B8R0.6 CCCCOC(=O)CBr MCULE-8883996630 [0,1,0,0,0,0|3,0,0]=4 746 B8R0.6 CCCCOC(=O)CC MCULE-4622389592 [0,1,0,0,0,0|3,0,0]=4 747 B8R0.6 CCCCOC(=O)CCl MCULE-1608118057 [0,1,0,0,0,0|3,0,0]=4 748 B8R0.6 CCCCOC(=O)CF MCULE-1355274212 [0,1,0,0,0,0|3,0,0]=4 749 B8R0.6 CCCCOC(=O)CN MCULE-9168260466 [0,1,0,0,0,0|3,0,0]=4 750 B8R0.6 CCCCOC(=O)CN MCULE-9585888268 [0,1,0,0,0,0|3,0,0]=4 751 B8R0.6 CCCCOC(=O)CO MCULE-4016266350 [0,1,0,0,0,0|2,0,0]=3 752 B8R0.6 CCCCOC(=O)CS MCULE-4331308025 [0,1,0,0,0,0|2,1,0]=4 753 B8R0.6 CCCNCC(=O)NC MCULE-4750972571 [0,1,0,0,0,0|3,0,0]=4 754 B8R0.6 CCCNCC(=O)OC MCULE-3321545319 [0,1,0,0,0,0|2,0,0]=3 755 B8R0.6 CCCNCC(=O)OC MCULE-5989619684 [0,1,0,0,0,0|2,0,0]=3 756 B8R0.6 CCCSCC(=O)OC MCULE-3865642484 [0,1,0,0,0,0|2,0,0]=3 757 B8R0.6 CCNCCC(=O)NC MCULE-8230774906 [0,1,0,0,0,0|3,0,0]=4 758 B8R0.6 CCNCCC(=O)NC MCULE-9131674592 [0,1,0,0,0,0|3,0,0]=4 759 B8R0.6 CCNCCC(=O)NN MCULE-8224878393 [0,1,0,0,0,0|3,0,0]=4 760 B8R0.6 CCNCCC(=O)OC MCULE-4846173976 [0,1,0,0,0,0|2,0,0]=3 761 B8R0.6 CCOCCC(=N)OC MCULE-1143058685 [0,1,0,0,0,0|3,0,0]=4 762 B8R0.6 CCOCCC(=N)OC MCULE-1528455249 [0,1,0,0,0,0|3,0,0]=4 763 B8R0.6 CCOCCC(=O)NN MCULE-2571001026 [0,1,0,0,0,0|3,0,0]=4 764 B8R0.6 CCSCCC(=O)OC MCULE-5773388371 [0,1,0,0,0,0|2,0,0]=3 765 B8R0.6 CC[C@H](C)CCCCO MCULE-2674922341 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.6 CC[C@H](C)CCCCO MCULE-7482991055 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.6 CNC(=O)CCCON MCULE-8352787831 [0,1,0,0,0,0|3,0,0]=4 768 B8R0.6 CNC(=O)NCCCO MCULE-3093590717 [0,1,0,0,0,0|2,0,0]=3 769 B8R0.6 CNCCCC(=O)NN MCULE-9999287103 [0,1,0,0,0,0|3,0,0]=4 770 B8R0.6 CNCCCC(=O)OC MCULE-2437073705 [0,1,0,0,0,0|2,0,0]=3 771 B8R0.6 CNCCCC(=O)OC MCULE-6776715081 [0,1,0,0,0,0|2,0,0]=3 772 B8R0.6 COC(=O)CCCC#N MCULE-9088492518 [0,1,0,0,0,0|1,0,1]=3 773 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [0,1,0,0,0,0|0,0,2]=3 774 B8R0.6 COC(=O)CCCCBr MCULE-8354790214 [0,1,0,0,0,0|1,0,0]=2 775 B8R0.6 COC(=O)CCCCCl MCULE-7057883989 [0,1,0,0,0,0|1,0,0]=2 776 B8R0.6 COC(=O)CCCCI MCULE-1527923255 [0,1,0,0,0,0|1,0,0]=2 777 B8R0.6 COC(=O)CCCCN MCULE-3452725442 [0,1,0,0,0,0|1,0,0]=2 778 B8R0.6 COC(=O)CCCCN MCULE-8816545129 [0,1,0,0,0,0|1,0,0]=2 779 B8R0.6 COC(=O)CCCCO MCULE-2443996181 [0,1,0,0,0,0|0,0,0]=1 780 B8R0.6 COC(=O)CCCCS MCULE-5194099368 [0,1,0,0,0,0|0,1,0]=2 781 B8R0.6 COC(=O)CCCON MCULE-1522874324 [0,1,0,0,0,0|2,0,0]=3 782 B8R0.6 COC(=O)CCCON MCULE-4748610058 [0,1,0,0,0,0|2,0,0]=3 783 B8R0.6 COC(=O)CCCSC MCULE-7320944174 [0,1,0,0,0,0|2,0,0]=3 784 B8R0.6 COC(=O)CCN=C=O MCULE-8282687885 [0,1,0,0,0,0|1,0,2]=4 785 B8R0.6 COC(=O)CCN=C=S MCULE-4255379915 [0,1,0,0,0,0|1,1,1]=4 786 B8R0.6 COC(=O)CCN=N#N MCULE-9952679830 [0,1,0,0,0,0|3,0,0]=4 787 B8R0.6 COC(=O)CCNC=O MCULE-2214149264 [0,1,0,0,0,0|1,0,2]=4 788 B8R0.6 COC(=O)CNCC#N MCULE-4088324466 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.6 COC(=O)COCCCl MCULE-4344602258 [0,1,0,0,0,0|2,0,0]=3 790 B8R0.6 COC(=O)COCCN MCULE-5090944064 [0,1,0,0,0,0|2,0,0]=3 791 B8R0.6 COC(=O)COCCN MCULE-6748820855 [0,1,0,0,0,0|2,0,0]=3 792 B8R0.6 COC(=O)COCCO MCULE-7869619911 [0,1,0,0,0,0|1,0,0]=2 793 B8R0.6 COC(=O)CSCC#N MCULE-9919146652 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.6 COC(=O)CSCCN MCULE-5578128958 [0,1,0,0,0,0|2,0,0]=3 795 B8R0.6 COC(=O)CSCCN MCULE-6891143571 [0,1,0,0,0,0|2,0,0]=3 796 B8R0.6 COC(=O)NCCC#N MCULE-9903533731 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.6 COC(=O)SSCCN MCULE-2854223096 [0,1,0,0,0,0|3,0,0]=4 798 B8R0.6 COCCCC(=O)OC MCULE-4109110804 [0,1,0,0,0,0|2,0,0]=3 799 B8R0.6 CONCCC(=O)OC MCULE-8622619087 [0,1,0,0,0,0|3,0,0]=4 800 B8R0.6 N#CC(O)CCCCO MCULE-3554580179 [0,1,0,0,0,0|1,0,1]=3 801 B8R0.6 NCC(=O)NCCCO MCULE-3346996357 [0,1,0,0,0,0|2,0,0]=3 802 B8R0.6 NCC(=O)NCCCO MCULE-5088922472 [0,1,0,0,0,0|2,0,0]=3 803 B8R0.6 NCCCCC(N)CO MCULE-5938273372 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.6 NCCCCC(N)CO MCULE-9464237285 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.6 NCCCC[C@H](N)CO MCULE-4735749396 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.6 NCCCC[C@H](N)CO MCULE-6997150748 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.6 NCCCC[C@H](N)CO MCULE-7936699760 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.6 NCCCC[C@H](N)CO MCULE-9135547877 [0,1,0,0,0,0|2,0,1]=4 809 B8R0.6 NNC(=O)COCCO MCULE-8424164288 [0,1,0,0,0,0|2,0,0]=3 810 B8R0.6 O=C(CCl)NCCCO MCULE-7154051707 [0,1,0,0,0,0|2,0,0]=3 811 B8R0.6 OCCCCC(O)CO MCULE-5891501842 [0,1,0,0,0,0|0,0,2]=3 812 B8R0.6 OCCNCC(O)CO MCULE-1632492020 [0,1,0,0,0,0|1,0,2]=4 813 B8R0.6 OCCOCC(=CBr)Br MCULE-7768949529 [0,1,0,0,0,0|3,0,0]=4 814 B8R0.6 OCCOCC(O)CCl MCULE-1530998868 [0,1,0,0,0,0|2,0,1]=4 815 B8R0.6 OCCOCC(O)CO MCULE-4768071463 [0,1,0,0,0,0|1,0,2]=4 816 B8R0.6 [C@H](O)(CC)CCCCC MCULE-7121730436 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [0,1,0,0,0,0|1,0,0]=2 818 B8R0.7 C#CCCCOC(=O)C MCULE-5113085970 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.7 C#CCCOCC(=O)O MCULE-5200842540 [0,1,0,0,0,0|1,0,1]=3 820 B8R0.7 C#CCOCCC(=O)O MCULE-9710662304 [0,1,0,0,0,0|1,0,1]=3 821 B8R0.7 C=C(Br)CCCCC#N MCULE-7605078612 [0,1,0,0,0,0|3,0,0]=4 822 B8R0.7 C=C(Br)CCCCCC MCULE-3502674829 [0,1,0,0,0,0|3,0,0]=4 823 B8R0.7 C=C(Br)CCCCCCl MCULE-8350652246 [0,1,0,0,0,0|3,0,0]=4 824 B8R0.7 C=C(Br)CNCCCC MCULE-5896177180 [0,1,0,0,0,0|3,0,0]=4 825 B8R0.7 C=C(Br)CNCCCC MCULE-9529942902 [0,1,0,0,0,0|3,0,0]=4 826 B8R0.7 C=C(C)CCCCC#N MCULE-5170658288 [0,1,0,0,0,0|3,0,0]=4 827 B8R0.7 C=C(C)CCCCCC MCULE-2243788093 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.7 C=C(C)CCCCCCl MCULE-5646492015 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.7 C=C(C)CSCCCC MCULE-7053589995 [0,1,0,0,0,0|3,0,0]=4 830 B8R0.7 C=C(Cl)CCCCC#N MCULE-9800519169 [0,1,0,0,0,0|3,0,0]=4 831 B8R0.7 C=C(Cl)CCCCCC MCULE-4545659103 [0,1,0,0,0,0|3,0,0]=4 832 B8R0.7 C=C(Cl)CCCCCCl MCULE-3447520654 [0,1,0,0,0,0|3,0,0]=4 833 B8R0.7 C=CCCCCB(O)O MCULE-5017277637 [0,1,0,0,0,0|2,0,1]=4 834 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [0,1,0,0,0,0|2,0,0]=3 835 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [0,1,0,0,0,0|1,0,0]=2 836 B8R0.7 C=CCCCCN(=O)=O MCULE-9629476544 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.7 C=CCCCOC(=O)C MCULE-2972695808 [0,1,0,0,0,0|2,0,1]=4 838 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [0,1,0,0,0,0|1,0,1]=3 839 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [0,1,0,0,0,0|1,0,1]=3 840 B8R0.7 C=CCNCCC(=O)N MCULE-4087711448 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [0,1,0,0,0,0|1,0,1]=3 842 B8R0.7 CC#CCCCC(=O)C MCULE-4297141774 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [0,1,0,0,0,0|1,0,1]=3 844 B8R0.7 CC(=O)CCCCC#N MCULE-2841814511 [0,1,0,0,0,0|2,0,0]=3 845 B8R0.7 CC(=O)CCCCCBr MCULE-8946921118 [0,1,0,0,0,0|2,0,0]=3 846 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [0,1,0,0,0,0|2,0,0]=3 847 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [0,1,0,0,0,0|2,0,0]=3 848 B8R0.7 CC(=O)CCCN=N#N MCULE-4708169857 [0,1,0,0,0,0|3,0,0]=4 849 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [0,1,0,0,0,0|1,0,2]=4 850 B8R0.7 CC(=O)NCCCCN MCULE-6666803790 [0,1,0,0,0,0|2,0,0]=3 851 B8R0.7 CC(=O)NCCCCN MCULE-8971714473 [0,1,0,0,0,0|2,0,0]=3 852 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [0,1,0,0,0,0|1,0,0]=2 853 B8R0.7 CC(=O)OCCCCBr MCULE-6081921662 [0,1,0,0,0,0|2,0,0]=3 854 B8R0.7 CC(=O)OCCCCCl MCULE-3999602136 [0,1,0,0,0,0|2,0,0]=3 855 B8R0.7 CC(=O)OCCCCI MCULE-6699791525 [0,1,0,0,0,0|2,0,0]=3 856 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [0,1,0,0,0,0|1,0,0]=2 857 B8R0.7 CC(=O)OCCOCCl MCULE-2565061276 [0,1,0,0,0,0|3,0,0]=4 858 B8R0.7 CC(=O)SCCCCBr MCULE-1636667997 [0,1,0,0,0,0|2,0,0]=3 859 B8R0.7 CC(=O)SCCCCN MCULE-2425585672 [0,1,0,0,0,0|2,0,0]=3 860 B8R0.7 CC(=O)SCCCCN MCULE-9899884734 [0,1,0,0,0,0|2,0,0]=3 861 B8R0.7 CC(C)CCCCCO MCULE-2133434329 [0,1,0,0,0,0|2,0,1]=4 862 B8R0.7 CC(C)CCNCCO MCULE-7584613000 [0,1,0,0,0,0|2,0,1]=4 863 B8R0.7 CC(C)CCOCCO MCULE-2905905370 [0,1,0,0,0,0|2,0,1]=4 864 B8R0.7 CC(C)CNCCCO MCULE-2271519808 [0,1,0,0,0,0|2,0,1]=4 865 B8R0.7 CC(C)COCCCO MCULE-8827861403 [0,1,0,0,0,0|2,0,1]=4 866 B8R0.7 CC(C)CSCCCO MCULE-8186559992 [0,1,0,0,0,0|2,0,1]=4 867 B8R0.7 CC(C)NCCCCO MCULE-2420054943 [0,1,0,0,0,0|2,0,1]=4 868 B8R0.7 CC(C)OCCCCO MCULE-7834967841 [0,1,0,0,0,0|2,0,1]=4 869 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [0,1,0,0,0,0|2,0,1]=4 870 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [0,1,0,0,0,0|1,0,1]=3 871 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [0,1,0,0,0,0|1,0,1]=3 873 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [0,1,0,0,0,0|1,0,1]=3 874 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [0,1,0,0,0,0|1,0,1]=3 875 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [0,1,0,0,0,0|2,0,1]=4 876 B8R0.7 CCCCC=CC(=O)Cl MCULE-3883159938 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [0,1,0,0,0,0|1,0,1]=3 878 B8R0.7 CCCCCCB(O)O MCULE-6503959495 [0,1,0,0,0,0|2,0,1]=4 879 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [0,1,0,0,0,0|2,0,0]=3 880 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [0,1,0,0,0,0|2,0,0]=3 881 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [0,1,0,0,0,0|2,0,0]=3 882 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [0,1,0,0,0,0|1,0,0]=2 883 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [0,1,0,0,0,0|1,0,1]=3 884 B8R0.7 CCCCCCC(C)O MCULE-4635370769 [0,1,0,0,0,0|2,0,1]=4 885 B8R0.7 CCCCCCC(C)O MCULE-5095200181 [0,1,0,0,0,0|2,0,1]=4 886 B8R0.7 CCCCCCN(=O)=O MCULE-8283658415 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.7 CCCCCC[C@@H](C)O MCULE-5245235461 [0,1,0,0,0,0|2,0,1]=4 888 B8R0.7 CCCCCC[C@@H](C)O MCULE-8537503782 [0,1,0,0,0,0|2,0,1]=4 889 B8R0.7 CCCCCC[C@H](C)O MCULE-2655815413 [0,1,0,0,0,0|2,0,1]=4 890 B8R0.7 CCCCCC[C@H](C)O MCULE-7784149103 [0,1,0,0,0,0|2,0,1]=4 891 B8R0.7 CCCCCNC(=O)N MCULE-3139270247 [0,1,0,0,0,0|2,0,0]=3 892 B8R0.7 CCCCCOC(=O)C MCULE-4911325533 [0,1,0,0,0,0|2,0,0]=3 893 B8R0.7 CCCCCOC(=O)Cl MCULE-2896207255 [0,1,0,0,0,0|2,0,0]=3 894 B8R0.7 CCCCCOC(=S)[S-] MCULE-2950713727 [0,1,0,0,0,0|1,2,0]=4 895 B8R0.7 CCCCCOC(=S)[S-] MCULE-3707330245 [0,1,0,0,0,0|1,2,0]=4 896 B8R0.7 CCCCCON(=O)=O MCULE-5516967908 [0,1,0,0,0,0|2,0,1]=4 897 B8R0.7 CCCCCSC(=N)N MCULE-5906999949 [0,1,0,0,0,0|3,0,0]=4 898 B8R0.7 CCCCCSC(=N)N MCULE-7508276539 [0,1,0,0,0,0|3,0,0]=4 899 B8R0.7 CCCCNCC(=O)N MCULE-1276341431 [0,1,0,0,0,0|2,0,0]=3 900 B8R0.7 CCCCNCC(=O)N MCULE-6579402071 [0,1,0,0,0,0|2,0,0]=3 901 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [0,1,0,0,0,0|1,0,0]=2 902 B8R0.7 CCCCNCC(C)O MCULE-3151408580 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [0,1,0,0,0,0|1,0,0]=2 904 B8R0.7 CCCCOCC(C)O MCULE-6350800869 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.7 CCCCSCC(=N)N MCULE-5468671942 [0,1,0,0,0,0|3,0,0]=4 906 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [0,1,0,0,0,0|1,0,0]=2 907 B8R0.7 CCCNCCC(=O)N MCULE-2654608736 [0,1,0,0,0,0|2,0,0]=3 908 B8R0.7 CCCNCCC(=O)N MCULE-2683588523 [0,1,0,0,0,0|2,0,0]=3 909 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [0,1,0,0,0,0|1,0,0]=2 910 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [0,1,0,0,0,0|1,0,0]=2 911 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [0,1,0,0,0,0|1,0,0]=2 912 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [0,1,0,0,0,0|1,0,2]=4 913 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [0,1,0,0,0,0|1,0,0]=2 914 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [0,1,0,0,0,0|1,0,0]=2 915 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [0,1,0,0,0,0|1,0,0]=2 916 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [0,1,0,0,0,0|1,0,0]=2 917 B8R0.7 CCOCCNC(=O)N MCULE-7568793312 [0,1,0,0,0,0|3,0,0]=4 918 B8R0.7 CCOCCOC(=O)C MCULE-3053452981 [0,1,0,0,0,0|3,0,0]=4 919 B8R0.7 CCOCCOC(=O)Cl MCULE-9683410173 [0,1,0,0,0,0|3,0,0]=4 920 B8R0.7 CN(C)CCCCCO MCULE-4442986563 [0,1,0,0,0,0|3,0,0]=4 921 B8R0.7 CN(C)CCNCCO MCULE-1672545854 [0,1,0,0,0,0|3,0,0]=4 922 B8R0.7 CN(C)CCNCCO MCULE-7900351239 [0,1,0,0,0,0|3,0,0]=4 923 B8R0.7 CN(C)CCOCCO MCULE-9950253229 [0,1,0,0,0,0|3,0,0]=4 924 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [0,1,0,0,0,0|1,0,0]=2 925 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [0,1,0,0,0,0|1,0,0]=2 926 B8R0.7 CNCCCNC(=O)C MCULE-2682619502 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.7 CNCCCNC(=O)C MCULE-3477977807 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [0,1,0,0,0,0|2,0,0]=3 929 B8R0.7 COCCCCB(O)O MCULE-5339704839 [0,1,0,0,0,0|1,0,1]=3 930 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [0,1,0,0,0,0|0,0,0]=1 931 B8R0.7 COCCCCN(=O)=O MCULE-3527542330 [0,1,0,0,0,0|1,0,1]=3 932 B8R0.7 COCCCNC(=N)N MCULE-3770501669 [0,1,0,0,0,0|3,0,0]=4 933 B8R0.7 COCCCNC(=O)C MCULE-4149128250 [0,1,0,0,0,0|2,0,0]=3 934 B8R0.7 COCCCNC(=O)N MCULE-4038737956 [0,1,0,0,0,0|2,0,0]=3 935 B8R0.7 COCCCNC(=S)N MCULE-6009717743 [0,1,0,0,0,0|2,1,0]=4 936 B8R0.7 COCCNCC(=O)N MCULE-2300508230 [0,1,0,0,0,0|2,0,0]=3 937 B8R0.7 COCCNCC(=O)N MCULE-7059174365 [0,1,0,0,0,0|2,0,0]=3 938 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [0,1,0,0,0,0|1,0,0]=2 939 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [0,1,0,0,0,0|1,0,0]=2 940 B8R0.7 COCCOCC(=O)C MCULE-5956367525 [0,1,0,0,0,0|2,0,0]=3 941 B8R0.7 COCCOCC(=O)Cl MCULE-9321414156 [0,1,0,0,0,0|2,0,0]=3 942 B8R0.7 COCCOCC(=O)N MCULE-8987780803 [0,1,0,0,0,0|2,0,0]=3 943 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [0,1,0,0,0,0|1,0,0]=2 944 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [0,1,0,0,0,0|1,0,0]=2 945 B8R0.7 CS(=O)CCCCC#N MCULE-1279378713 [0,1,0,0,0,0|3,0,0]=4 946 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [0,1,0,0,0,0|0,1,0]=2 947 B8R0.7 CSCCCOC(=O)C MCULE-4403232519 [0,1,0,0,0,0|2,1,0]=4 948 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [0,1,0,0,0,0|1,1,0]=3 949 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [0,1,0,0,0,0|1,1,0]=3 950 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [0,1,0,0,0,0|1,1,0]=3 951 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [0,1,0,0,0,0|1,1,0]=3 952 B8R0.7 N#CCCCCC(=O)N MCULE-7791035164 [0,1,0,0,0,0|2,0,0]=3 953 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [0,1,0,0,0,0|1,0,0]=2 954 B8R0.7 N#CCCCCN(=O)=O MCULE-9210708651 [0,1,0,0,0,0|2,0,1]=4 955 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [0,1,0,0,0,0|1,0,1]=3 956 B8R0.7 N#N=NCCCC(=O)O MCULE-1397586704 [0,1,0,0,0,0|2,0,0]=3 957 B8R0.7 N=C(N)NCCCCN MCULE-1546201217 [0,1,0,0,0,0|3,0,0]=4 958 B8R0.7 N=C(N)NCCCCN MCULE-8707833566 [0,1,0,0,0,0|3,0,0]=4 959 B8R0.7 N=C(N)NCCCCN MCULE-9916947559 [0,1,0,0,0,0|3,0,0]=4 960 B8R0.7 NC(=O)CCCCCBr MCULE-6938202710 [0,1,0,0,0,0|2,0,0]=3 961 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [0,1,0,0,0,0|1,0,0]=2 962 B8R0.7 NC(=O)CCNCCS MCULE-4682566242 [0,1,0,0,0,0|1,1,0]=3 963 B8R0.7 NCCCCCC(=O)N MCULE-1692086577 [0,1,0,0,0,0|2,0,0]=3 964 B8R0.7 NCCCCCC(=O)N MCULE-2191237198 [0,1,0,0,0,0|2,0,0]=3 965 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [0,1,0,0,0,0|1,0,0]=2 966 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [0,1,0,0,0,0|1,0,0]=2 967 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [0,1,0,0,0,0|1,0,1]=3 968 B8R0.7 NCCCCNC(=O)N MCULE-6339634491 [0,1,0,0,0,0|2,0,0]=3 969 B8R0.7 NCCCCNC(=O)N MCULE-8210849027 [0,1,0,0,0,0|2,0,0]=3 970 B8R0.7 NCCCCNC(=[NH2+])N MCULE-1741616711 [0,1,0,0,0,0|3,0,0]=4 971 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [0,1,0,0,0,0|1,0,0]=2 972 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [0,1,0,0,0,0|1,0,0]=2 973 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [0,1,0,0,0,0|1,0,0]=2 974 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [0,1,0,0,0,0|1,0,0]=2 975 B8R0.7 NCCNCCC(=O)[O-] MCULE-8896439746 [0,1,0,0,0,0|1,0,1]=3 976 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [0,1,0,0,0,0|1,0,0]=2 977 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [0,1,0,0,0,0|1,0,0]=2 978 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [0,1,0,0,0,0|1,0,0]=2 979 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [0,1,0,0,0,0|0,0,0]=1 980 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [0,1,0,0,0,0|0,0,0]=1 981 B8R0.7 O=C(Cl)CCCCCBr MCULE-4314610726 [0,1,0,0,0,0|2,0,0]=3 982 B8R0.7 O=C(Cl)CCCCCCl MCULE-4526081631 [0,1,0,0,0,0|2,0,0]=3 983 B8R0.7 O=C(Cl)OCCCCCl MCULE-4992919323 [0,1,0,0,0,0|2,0,0]=3 984 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [0,1,0,0,0,0|1,0,0]=2 985 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [0,1,0,0,0,0|1,0,0]=2 986 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [0,1,0,0,0,0|1,0,0]=2 987 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [0,1,0,0,0,0|0,0,0]=1 988 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [0,1,0,0,0,0|0,1,0]=2 989 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [0,1,0,0,0,0|0,0,0]=1 990 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [0,1,0,0,0,0|1,0,0]=2 991 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [0,1,0,0,0,0|0,0,0]=1 992 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [0,1,0,0,0,0|0,1,0]=2 993 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [0,1,0,0,0,0|0,0,0]=1 994 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [0,1,0,0,0,0|1,0,0]=2 995 B8R0.7 O=C([O-])CCCCCCl MCULE-7341419838 [0,1,0,0,0,0|1,0,1]=3 996 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [0,1,0,0,0,0|0,0,1]=2 997 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [0,1,0,0,0,0|0,0,1]=2 998 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [0,1,0,0,0,0|0,0,1]=2 999 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [0,1,0,0,0,0|0,0,2]=3 1000 B8R0.7 O=N(=O)CCCCCBr MCULE-8173901748 [0,1,0,0,0,0|2,0,1]=4 1001 B8R0.7 O=N(=O)CCCCCCl MCULE-6320526045 [0,1,0,0,0,0|2,0,1]=4 1002 B8R0.7 O=N(=O)CCCCCO MCULE-8742649710 [0,1,0,0,0,0|1,0,1]=3 1003 B8R0.7 O=N(=O)OCCCCO MCULE-8113401389 [0,1,0,0,0,0|1,0,1]=3 1004 B8R0.7 OB(O)CCCCCBr MCULE-1080449080 [0,1,0,0,0,0|2,0,1]=4 1005 B8R0.7 OCCCOCC(F)F MCULE-9624085410 [0,1,0,0,0,0|2,0,1]=4 1006 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,1,0,0,0,0|1,0,1]=3 1007 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,1,0,0,0,0|1,0,1]=3 1008 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,1,0,0,0,0|1,0,1]=3 1009 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,1,0,0,0,0|1,0,1]=3 1010 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,1,0,0,0,0|1,0,1]=3 1011 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,1,0,0,0,0|1,0,1]=3 1012 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,1,0,0,0,0|1,0,1]=3 1013 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,1,0,0,0,0|1,0,1]=3 1014 B8R0.8 C#CCOC(C)C(=O)O MCULE-7792481116 [0,1,0,0,0,0|2,0,1]=4 1015 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,1,0,0,0,0|2,0,0]=3 1016 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,1,0,0,0,0|2,0,0]=3 1017 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [0,1,0,0,0,0|1,0,2]=4 1018 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,1,0,0,0,0|1,0,1]=3 1020 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [0,1,0,0,0,0|2,0,1]=4 1021 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [0,1,0,0,0,0|2,0,1]=4 1022 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,1,0,0,0,0|1,0,1]=3 1023 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,1,0,0,0,0|1,0,1]=3 1024 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,1,0,0,0,0|1,0,1]=3 1025 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,1,0,0,0,0|1,0,1]=3 1026 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,1,0,0,0,0|1,0,1]=3 1027 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,1,0,0,0,0|1,0,1]=3 1028 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,1,0,0,0,0|1,0,1]=3 1029 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,1,0,0,0,0|1,0,1]=3 1030 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [0,1,0,0,0,0|2,0,1]=4 1031 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [0,1,0,0,0,0|2,0,1]=4 1032 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,1,0,0,0,0|1,0,2]=4 1033 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,1,0,0,0,0|1,0,2]=4 1034 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,1,0,0,0,0|1,0,2]=4 1035 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,1,0,0,0,0|1,0,2]=4 1036 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,1,0,0,0,0|1,0,2]=4 1037 B8R0.8 CC(=O)C(C)CCC#N MCULE-1571826766 [0,1,0,0,0,0|2,0,1]=4 1038 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,1,0,0,0,0|1,0,0]=2 1039 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,1,0,0,0,0|2,0,0]=3 1040 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,1,0,0,0,0|2,0,0]=3 1041 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,1,0,0,0,0|1,0,0]=2 1042 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,1,0,0,0,0|1,0,2]=4 1043 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,1,0,0,0,0|1,0,2]=4 1044 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,1,0,0,0,0|2,0,1]=4 1045 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,1,0,0,0,0|1,0,1]=3 1046 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,1,0,0,0,0|1,0,2]=4 1047 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,1,0,0,0,0|2,0,0]=3 1048 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,1,0,0,0,0|1,0,0]=2 1049 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,1,0,0,0,0|2,0,0]=3 1050 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,1,0,0,0,0|2,0,0]=3 1051 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,1,0,0,0,0|2,0,0]=3 1052 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,1,0,0,0,0|1,0,0]=2 1053 B8R0.8 CCCCC(C)C(C)O MCULE-2881990446 [0,1,0,0,0,0|2,0,1]=4 1054 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,1,0,0,0,0|1,0,0]=2 1055 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,1,0,0,0,0|2,0,0]=3 1056 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,1,0,0,0,0|2,0,0]=3 1057 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,1,0,0,0,0|1,0,0]=2 1058 B8R0.8 CCCCC(N)C(C)O MCULE-3645367149 [0,1,0,0,0,0|2,0,1]=4 1059 B8R0.8 CCCCC(N)C(C)O MCULE-4512291097 [0,1,0,0,0,0|2,0,1]=4 1060 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,1,0,0,0,0|2,0,0]=3 1061 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,1,0,0,0,0|1,0,0]=2 1062 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [0,1,0,0,0,0|3,0,0]=4 1063 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,1,0,0,0,0|1,0,0]=2 1064 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,1,0,0,0,0|1,0,0]=2 1065 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,1,0,0,0,0|1,0,0]=2 1066 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,1,0,0,0,0|1,0,0]=2 1067 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,1,0,0,0,0|1,0,0]=2 1068 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,1,0,0,0,0|2,0,0]=3 1069 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,1,0,0,0,0|2,0,0]=3 1070 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,1,0,0,0,0|2,0,0]=3 1071 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,1,0,0,0,0|2,0,0]=3 1072 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,1,0,0,0,0|1,0,0]=2 1073 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,1,0,0,0,0|1,0,0]=2 1074 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,1,0,0,0,0|2,0,1]=4 1075 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,1,0,0,0,0|2,0,0]=3 1076 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,1,0,0,0,0|2,0,0]=3 1077 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,1,0,0,0,0|2,0,0]=3 1078 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,1,0,0,0,0|2,0,0]=3 1079 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,1,0,0,0,0|2,0,0]=3 1080 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,1,0,0,0,0|2,0,0]=3 1081 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,1,0,0,0,0|2,0,0]=3 1082 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,1,0,0,0,0|2,0,0]=3 1083 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,1,0,0,0,0|2,0,0]=3 1084 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,1,0,0,0,0|2,0,0]=3 1085 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,1,0,0,0,0|3,0,0]=4 1086 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,1,0,0,0,0|3,0,0]=4 1087 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,1,0,0,0,0|2,0,0]=3 1088 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,1,0,0,0,0|2,0,0]=3 1089 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,1,0,0,0,0|2,0,0]=3 1090 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,1,0,0,0,0|2,0,1]=4 1091 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,1,0,0,0,0|3,0,0]=4 1092 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,1,0,0,0,0|3,0,0]=4 1093 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,1,0,0,0,0|3,0,0]=4 1094 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,1,0,0,0,0|3,0,0]=4 1095 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,1,0,0,0,0|2,0,0]=3 1096 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [0,1,0,0,0,0|3,0,0]=4 1097 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,1,0,0,0,0|2,0,0]=3 1098 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,1,0,0,0,0|2,0,0]=3 1099 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,1,0,0,0,0|2,0,0]=3 1100 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,1,0,0,0,0|2,0,1]=4 1101 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,1,0,0,0,0|2,0,1]=4 1102 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,1,0,0,0,0|3,0,0]=4 1103 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,1,0,0,0,0|3,0,0]=4 1104 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,1,0,0,0,0|3,0,0]=4 1105 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,1,0,0,0,0|3,0,0]=4 1106 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,1,0,0,0,0|2,0,0]=3 1107 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,1,0,0,0,0|2,0,0]=3 1108 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,1,0,0,0,0|2,0,0]=3 1109 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,1,0,0,0,0|2,0,0]=3 1110 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,1,0,0,0,0|2,0,0]=3 1111 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,1,0,0,0,0|2,0,0]=3 1112 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,1,0,0,0,0|0,0,0]=1 1113 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,1,0,0,0,0|1,0,0]=2 1114 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,1,0,0,0,0|1,0,0]=2 1115 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,1,0,0,0,0|1,0,0]=2 1116 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,1,0,0,0,0|1,0,0]=2 1117 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,1,0,0,0,0|1,0,0]=2 1118 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,1,0,0,0,0|1,0,0]=2 1119 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,1,0,0,0,0|1,0,0]=2 1120 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,1,0,0,0,0|1,0,0]=2 1121 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,1,0,0,0,0|1,0,0]=2 1122 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,1,0,0,0,0|1,0,0]=2 1123 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,1,0,0,0,0|1,0,0]=2 1124 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,1,0,0,0,0|1,0,0]=2 1125 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,1,0,0,0,0|1,0,0]=2 1126 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,1,0,0,0,0|1,0,0]=2 1127 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,1,0,0,0,0|1,0,0]=2 1128 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,1,0,0,0,0|1,0,0]=2 1129 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,1,0,0,0,0|2,0,0]=3 1130 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,1,0,0,0,0|2,0,0]=3 1131 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,1,0,0,0,0|2,0,0]=3 1132 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,1,0,0,0,0|2,0,0]=3 1133 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,1,0,0,0,0|0,0,0]=1 1134 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,1,0,0,0,0|0,0,0]=1 1135 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,1,0,0,0,0|0,0,0]=1 1136 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [0,1,0,0,0,0|0,0,1]=2 1137 B8R0.8 OCCCC(=C(F)F)F MCULE-3744615472 [0,1,0,0,0,0|2,0,1]=4 1138 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,1,0,0,0,0|1,0,1]=3 1139 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,1,0,0,0,0|2,0,0]=3 1140 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [0,1,0,0,0,0|3,0,0]=4 1141 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [0,1,0,0,0,0|3,0,0]=4 1142 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [0,1,0,0,0,0|3,0,0]=4 1143 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [0,1,0,0,0,0|3,0,0]=4 1144 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [0,1,0,0,0,0|3,0,0]=4 1145 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [0,1,0,0,0,0|3,0,0]=4 1146 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [0,1,0,0,0,0|3,0,0]=4 1147 B8R0.8 [N-]=[N+]=NC[C@H](O)C(=O)O MCULE-8751271425 [0,1,0,0,0,0|3,0,0]=4 1148 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,1,0,0,0,0|1,0,1]=3 1149 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,1,0,0,0,0|1,0,1]=3 1150 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,1,0,0,0,0|1,0,1]=3 1151 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,1,0,0,0,0|1,0,1]=3 1152 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,1,0,0,0,0|1,0,1]=3 1153 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,0|1,0,1]=3 1154 B8R0.9 CC(=O)NCC(C)CN MCULE-6305271563 [0,1,0,0,0,0|3,0,0]=4 1155 B8R0.9 CC(=O)NCC(O)CCl MCULE-4912177314 [0,1,0,0,0,0|3,0,0]=4 1156 B8R0.9 CC(=O)NC[C@H](O)CCl MCULE-5027407972 [0,1,0,0,0,0|3,0,0]=4 1157 B8R0.9 CC(=O)OCC(C)CBr MCULE-5776578434 [0,1,0,0,0,0|3,0,0]=4 1158 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,1,0,0,0,0|2,0,0]=3 1159 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,1,0,0,0,0|2,0,0]=3 1160 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [0,1,0,0,0,0|3,0,0]=4 1161 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [0,1,0,0,0,0|2,0,0]=3 1162 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [0,1,0,0,0,0|2,0,0]=3 1163 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [0,1,0,0,0,0|2,0,0]=3 1164 B8R0.9 CC(=O)SCC(C)CCl MCULE-2266172098 [0,1,0,0,0,0|3,0,0]=4 1165 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,1,0,0,0,0|1,0,1]=3 1166 B8R0.9 CC(C)CCC(C)CO MCULE-8698383870 [0,1,0,0,0,0|2,0,1]=4 1167 B8R0.9 CC(C)CCC(N)CO MCULE-1841093348 [0,1,0,0,0,0|2,0,1]=4 1168 B8R0.9 CC(C)CCC(N)CO MCULE-6322500554 [0,1,0,0,0,0|2,0,1]=4 1169 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,1,0,0,0,0|2,0,0]=3 1170 B8R0.9 CC(O)CNC(C)CO MCULE-6157391749 [0,1,0,0,0,0|2,0,1]=4 1171 B8R0.9 CC(O)COC(C)CO MCULE-7544702364 [0,1,0,0,0,0|2,0,1]=4 1172 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,0|1,0,2]=4 1173 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,1,0,0,0,0|2,0,1]=4 1174 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,0|1,0,1]=3 1175 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,0|2,0,1]=4 1176 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,1,0,0,0,0|2,0,0]=3 1177 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,1,0,0,0,0|1,0,0]=2 1178 B8R0.9 CCC(C)CCC(C)O MCULE-4781356880 [0,1,0,0,0,0|2,0,1]=4 1179 B8R0.9 CCC(C)COC(=O)C MCULE-1846190306 [0,1,0,0,0,0|3,0,0]=4 1180 B8R0.9 CCC(C)COC(=O)Cl MCULE-7986633908 [0,1,0,0,0,0|3,0,0]=4 1181 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,1,0,0,0,0|2,0,0]=3 1182 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,1,0,0,0,0|2,0,0]=3 1183 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,1,0,0,0,0|2,0,0]=3 1184 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,1,0,0,0,0|2,0,0]=3 1185 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,0|1,0,0]=2 1186 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,0|1,0,0]=2 1187 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,0,0,0,0|1,0,0]=2 1188 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,1,0,0,0,0|1,0,1]=3 1189 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,1,0,0,0,0|2,0,0]=3 1190 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,1,0,0,0,0|2,0,0]=3 1191 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,0|2,0,0]=3 1192 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,1,0,0,0,0|1,0,2]=4 1193 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,0|2,0,1]=4 1194 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,0|2,0,1]=4 1195 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,1,0,0,0,0|2,0,0]=3 1196 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,1,0,0,0,0|2,0,0]=3 1197 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-1706050650 [0,1,0,0,0,0|1,0,1]=3 1198 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-8419848254 [0,1,0,0,0,0|1,0,1]=3 1199 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,0|1,0,1]=3 1200 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,0|1,0,1]=3 1201 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,0|1,0,1]=3 1202 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,0|2,0,1]=4 1203 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,0|2,0,1]=4 1204 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,0|1,0,0]=2 1205 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,0|1,0,0]=2 1206 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,0|1,0,0]=2 1207 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,0|2,0,1]=4 1208 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,0|2,0,1]=4 1209 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,0|0,0,0]=1 1210 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,0|0,0,0]=1 1211 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,0|1,0,1]=3 1212 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,1,0,0,0,0|1,0,1]=3 1213 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,0|1,0,0]=2 1214 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,0|2,0,1]=4 1215 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,0|1,0,1]=3 1216 B8R0.21 CC(C)(C)CCCCO MCULE-6188842430 [0,1,0,0,0,0|2,0,1]=4 1217 B8R0.21 CC(C)(O)CCCCO MCULE-2749019232 [0,1,0,0,0,0|1,0,1]=3 1218 B8R0.21 CC(C)(O)CNCCO MCULE-7597695473 [0,1,0,0,0,0|2,0,1]=4 1219 B8R0.21 CCCCCC(C)(C)O MCULE-8173858480 [0,1,0,0,0,0|2,0,1]=4 1220 B8R0.21 CCCCCS(=O)(=O)Cl MCULE-6896424187 [0,1,0,0,0,0|2,0,1]=4 1221 B8R0.21 CCCCCS(=O)(=O)N MCULE-5002185424 [0,1,0,0,0,0|2,0,1]=4 1222 B8R0.21 CCCCCS(=O)(=O)O MCULE-3941343492 [0,1,0,0,0,0|2,0,0]=3 1223 B8R0.21 CCCCCS(=O)(=O)[O-] MCULE-8928036198 [0,1,0,0,0,0|2,0,1]=4 1224 B8R0.21 CCCCNS(=O)(=O)O MCULE-9277142869 [0,1,0,0,0,0|3,0,0]=4 1225 B8R0.21 CCCCOP(=O)(O)O MCULE-7637624598 [0,1,0,0,0,0|3,0,0]=4 1226 B8R0.21 COCCCS(=O)(=O)O MCULE-2207949915 [0,1,0,0,0,0|3,0,0]=4 1227 B8R0.21 CS(=O)(=O)CCCCBr MCULE-1708524802 [0,1,0,0,0,0|2,0,1]=4 1228 B8R0.21 CS(=O)(=O)CCCCCl MCULE-1449012481 [0,1,0,0,0,0|2,0,1]=4 1229 B8R0.21 CS(=O)(=O)CCCCI MCULE-8458880808 [0,1,0,0,0,0|2,0,1]=4 1230 B8R0.21 CS(=O)(=O)CCCCN MCULE-2550166149 [0,1,0,0,0,0|2,0,1]=4 1231 B8R0.21 CS(=O)(=O)CCCCN MCULE-9182498058 [0,1,0,0,0,0|2,0,1]=4 1232 B8R0.21 CS(=O)(=O)CCCCO MCULE-5624209550 [0,1,0,0,0,0|1,0,1]=3 1233 B8R0.21 CS(=O)(=O)NCCCO MCULE-6490455184 [0,1,0,0,0,0|2,0,1]=4 1234 B8R0.21 C[Si](C)(C)CCCCO MCULE-3464039288 [0,1,0,0,0,0|2,1,0]=4 1235 B8R0.21 N#CCCCS(=O)(=O)O MCULE-9766583831 [0,1,0,0,0,0|2,0,1]=4 1236 B8R0.21 NCCCCP(=O)(O)O MCULE-2632534074 [0,1,0,0,0,0|2,0,0]=3 1237 B8R0.21 NCCCCS(=O)(=O)N MCULE-1137234818 [0,1,0,0,0,0|2,0,1]=4 1238 B8R0.21 NCCCCS(=O)(=O)N MCULE-5156729166 [0,1,0,0,0,0|2,0,1]=4 1239 B8R0.21 NCCCSS(=O)(=O)O MCULE-5247150694 [0,1,0,0,0,0|3,0,0]=4 1240 B8R0.21 NS(=O)(=O)CCCCCl MCULE-8289037215 [0,1,0,0,0,0|2,0,1]=4 1241 B8R0.21 NS(=O)(=O)CCCCF MCULE-8785026283 [0,1,0,0,0,0|2,0,1]=4 1242 B8R0.21 O=P(O)(O)CCCCBr MCULE-5686227952 [0,1,0,0,0,0|2,0,0]=3 1243 B8R0.21 O=S(=O)(Cl)CCCCCl MCULE-2323406228 [0,1,0,0,0,0|2,0,1]=4 1244 B8R0.21 O=S(=O)(Cl)CCCCF MCULE-6800253328 [0,1,0,0,0,0|2,0,1]=4 1245 B8R0.21 O=S(=O)(O)CCCCO MCULE-7293075600 [0,1,0,0,0,0|1,0,0]=2 1246 B8R0.21 O=S(=O)(O)NCCCO MCULE-8740563073 [0,1,0,0,0,0|2,0,0]=3 1247 B8R0.21 O=S(=O)([O-])CCCCI MCULE-2042664841 [0,1,0,0,0,0|2,0,1]=4 1248 B8R0.21 O=S(=O)([O-])CCCCI MCULE-6463872187 [0,1,0,0,0,0|2,0,1]=4 1249 B8R0.21 O=S(=O)([O-])CCCCO MCULE-9692115991 [0,1,0,0,0,0|1,0,1]=3 1250 B8R0.21 OCCCCC(F)(F)F MCULE-4682730562 [0,1,0,0,0,0|2,0,1]=4 1251 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,1,0,0,0,0|1,0,1]=3 1252 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,1,0,0,0,0|1,0,1]=3 1253 B8R0.28 C=C(C)CCCC(C)C MCULE-5830488183 [0,1,0,0,0,0|3,0,0]=4 1254 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,1,0,0,0,0|1,0,1]=3 1255 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,1,0,0,0,0|1,0,2]=4 1256 B8R0.28 CC(=CCCC(C)O)C MCULE-6046871097 [0,1,0,0,0,0|2,0,1]=4 1257 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-5913564496 [0,1,0,0,0,0|2,0,1]=4 1258 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-8239445037 [0,1,0,0,0,0|2,0,1]=4 1259 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-3685132186 [0,1,0,0,0,0|2,0,1]=4 1260 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-7339160655 [0,1,0,0,0,0|2,0,1]=4 1261 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,1,0,0,0,0|1,0,2]=4 1262 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,1,0,0,0,0|1,0,2]=4 1263 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,1,0,0,0,0|0,0,2]=3 1264 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,1,0,0,0,0|2,0,0]=3 1265 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [0,1,0,0,0,0|3,0,0]=4 1266 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [0,1,0,0,0,0|3,0,0]=4 1267 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,1,0,0,0,0|3,0,0]=4 1268 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,1,0,0,0,0|3,0,0]=4 1269 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [0,1,0,0,0,0|3,0,0]=4 1270 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,1,0,0,0,0|1,0,2]=4 1271 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [0,1,0,0,0,0|3,0,0]=4 1272 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,1,0,0,0,0|1,0,2]=4 1273 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [0,1,0,0,0,0|3,0,0]=4 1274 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,1,0,0,0,0|1,0,2]=4 1275 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,1,0,0,0,0|1,0,2]=4 1276 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,1,0,0,0,0|1,0,2]=4 1277 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,1,0,0,0,0|1,0,2]=4 1278 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,1,0,0,0,0|1,0,0]=2 1279 B8R0.28 CC(C)CCCC(C)O MCULE-6655675430 [0,1,0,0,0,0|2,0,1]=4 1280 B8R0.28 CC(C)CCCN(=O)=O MCULE-2817926193 [0,1,0,0,0,0|2,0,1]=4 1281 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [0,1,0,0,0,0|3,0,0]=4 1282 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [0,1,0,0,0,0|3,0,0]=4 1283 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,1,0,0,0,0|3,0,0]=4 1284 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,1,0,0,0,0|3,0,0]=4 1285 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,1,0,0,0,0|2,0,0]=3 1286 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,1,0,0,0,0|2,0,0]=3 1287 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [0,1,0,0,0,0|3,0,0]=4 1288 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,1,0,0,0,0|2,0,0]=3 1289 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,1,0,0,0,0|2,0,0]=3 1290 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [0,1,0,0,0,0|3,0,0]=4 1291 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,1,0,0,0,0|2,0,0]=3 1292 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,1,0,0,0,0|2,0,0]=3 1293 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,1,0,0,0,0|2,0,0]=3 1294 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,1,0,0,0,0|2,0,0]=3 1295 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [0,1,0,0,0,0|2,0,0]=3 1296 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,1,0,0,0,0|0,0,0]=1 1297 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,1,0,0,0,0|0,0,1]=2 1298 B8R0.28 CC(O)CNCC(C)O MCULE-2715190259 [0,1,0,0,0,0|2,0,1]=4 1299 B8R0.28 CC(O)COCC(C)O MCULE-9464290948 [0,1,0,0,0,0|2,0,1]=4 1300 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [0,1,0,0,0,0|3,0,0]=4 1301 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [0,1,0,0,0,0|3,0,0]=4 1302 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,1,0,0,0,0|2,0,0]=3 1303 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,1,0,0,0,0|2,0,0]=3 1304 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,1,0,0,0,0|2,0,1]=4 1305 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,1,0,0,0,0|2,0,1]=4 1306 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,1,0,0,0,0|2,0,1]=4 1307 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,1,0,0,0,0|1,1,1]=4 1308 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,1,0,0,0,0|1,0,2]=4 1309 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,1,0,0,0,0|0,0,2]=3 1310 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [0,1,0,0,0,0|2,0,1]=4 1311 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,1,0,0,0,0|1,0,2]=4 1312 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,1,0,0,0,0|1,0,2]=4 1313 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,1,0,0,0,0|1,0,2]=4 1314 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,1,0,0,0,0|1,0,2]=4 1315 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,1,0,0,0,0|1,1,1]=4 1316 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,1,0,0,0,0|1,0,2]=4 1317 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,1,0,0,0,0|0,0,3]=4 1318 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,1,0,0,0,0|0,0,3]=4 1319 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,1,0,0,0,0|0,0,1]=2 1320 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,1,0,0,0,0|1,0,0]=2 1321 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,1,0,0,0,0|1,0,1]=3 1322 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,1,0,0,0,0|1,0,1]=3 1323 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,1,0,0,0,0|1,0,1]=3 1324 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [0,1,0,0,0,0|2,0,0]=3 1325 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,1,0,0,0,0|1,0,1]=3 1326 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,1,0,0,0,0|0,0,3]=4 1327 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,1,0,0,0,0|1,0,2]=4 1328 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,1,0,0,0,0|1,0,2]=4 1329 B8R0.28 OC(=S)COCC(=S)O MCULE-1054878793 [0,1,0,0,0,0|1,1,1]=4 1330 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,0,0,1,0,0|2,0,0]=3 1331 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,0,0,1,0,0|2,0,0]=3 1332 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,0,0,1,0,0|1,0,0]=2 1333 B8R1.1 C1(CCN(C1)C)CO MCULE-8028593286 [0,0,0,1,0,0|3,0,0]=4 1334 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,0,0,1,0,0|3,0,0]=4 1335 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,0,0,1,0,0|3,0,0]=4 1336 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,0,0,1,0,0|1,0,0]=2 1337 B8R1.1 C=C1CN[C@@H](C1)CO MCULE-2356105510 [0,0,0,1,0,0|3,0,0]=4 1338 B8R1.1 C=C1CN[C@@H](C1)CO MCULE-8856338816 [0,0,0,1,0,0|3,0,0]=4 1339 B8R1.1 C=CC1CCC(=O)N1 MCULE-7994900822 [0,0,0,1,0,0|2,0,1]=4 1340 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [0,0,0,1,0,0|2,0,1]=4 1341 B8R1.1 CC1CCC(C1)CO MCULE-3130047677 [0,0,0,1,0,0|2,0,1]=4 1342 B8R1.1 CC1CCC(N1)CO MCULE-7935473441 [0,0,0,1,0,0|2,0,1]=4 1343 B8R1.1 CC1CCC(N1)CO MCULE-8743496847 [0,0,0,1,0,0|2,0,1]=4 1344 B8R1.1 CC1CCC(O1)CI MCULE-2805289539 [0,0,0,1,0,0|2,0,1]=4 1345 B8R1.1 CC1CCC(O1)CN MCULE-4161233821 [0,0,0,1,0,0|2,0,1]=4 1346 B8R1.1 CC1CCC(O1)CO MCULE-1587985152 [0,0,0,1,0,0|1,0,1]=3 1347 B8R1.1 CC1OCC(O1)CO MCULE-1328866429 [0,0,0,1,0,0|2,0,1]=4 1348 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,0,0,1,0,0|2,0,1]=4 1349 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,0,0,1,0,0|1,0,2]=4 1350 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,0,0,1,0,0|3,0,0]=4 1351 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,0,0,1,0,0|2,0,0]=3 1352 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,0,0,1,0,0|2,0,0]=3 1353 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,0,0,1,0,0|1,0,0]=2 1354 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,0,0,1,0,0|3,0,0]=4 1355 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,0,0,1,0,0|2,0,0]=3 1356 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,0,0,1,0,0|3,0,0]=4 1357 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,0,0,1,0,0|3,0,0]=4 1358 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,0,0,1,0,0|2,0,0]=3 1359 B8R1.1 CCN1CCC(=O)C1 MCULE-5806094458 [0,0,0,1,0,0|3,0,0]=4 1360 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,0,0,1,0,0|2,0,0]=3 1361 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,0,0,1,0,0|1,0,0]=2 1362 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,0,0,1,0,0|2,0,0]=3 1363 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,0,0,1,0,0|3,0,0]=4 1364 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,0,0,1,0,0|3,0,0]=4 1365 B8R1.1 CN1CCC(C1)CO MCULE-8101582241 [0,0,0,1,0,0|3,0,0]=4 1366 B8R1.1 CN1CC[C@@H](C1)CO MCULE-3904654758 [0,0,0,1,0,0|3,0,0]=4 1367 B8R1.1 CN1CC[C@@H](C1)CO MCULE-5091184467 [0,0,0,1,0,0|3,0,0]=4 1368 B8R1.1 CN1CC[C@H](C1)CO MCULE-7548866217 [0,0,0,1,0,0|3,0,0]=4 1369 B8R1.1 CN1CC[C@H](C1)CO MCULE-9206143876 [0,0,0,1,0,0|3,0,0]=4 1370 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,0,0,1,0,0|3,0,0]=4 1371 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [0,0,0,1,0,0|3,0,0]=4 1372 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-5635555767 [0,0,0,1,0,0|2,0,1]=4 1373 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-7103292821 [0,0,0,1,0,0|2,0,1]=4 1374 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8577607094 [0,0,0,1,0,0|2,0,1]=4 1375 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8853557592 [0,0,0,1,0,0|2,0,1]=4 1376 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-1981408927 [0,0,0,1,0,0|1,0,1]=3 1377 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-2750103072 [0,0,0,1,0,0|1,0,1]=3 1378 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-5943356667 [0,0,0,1,0,0|2,0,1]=4 1379 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-6303404144 [0,0,0,1,0,0|2,0,1]=4 1380 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-2585928492 [0,0,0,1,0,0|1,0,1]=3 1381 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-3715649264 [0,0,0,1,0,0|1,0,1]=3 1382 B8R1.1 N#CC1CCC(=O)C1 MCULE-3783981366 [0,0,0,1,0,0|2,0,1]=4 1383 B8R1.1 N#CC1COC(=O)O1 MCULE-7635108167 [0,0,0,1,0,0|2,0,1]=4 1384 B8R1.1 N#C[C@@H]1CCC(=O)C1 MCULE-1506687355 [0,0,0,1,0,0|2,0,1]=4 1385 B8R1.1 N#C[C@H]1CCC(=O)C1 MCULE-3791390646 [0,0,0,1,0,0|2,0,1]=4 1386 B8R1.1 NC1=NCC(O1)CBr MCULE-8408311546 [0,0,0,1,0,0|3,0,0]=4 1387 B8R1.1 NC1=NCC(O1)CBr MCULE-9513559204 [0,0,0,1,0,0|3,0,0]=4 1388 B8R1.1 NC1=NCC(S1)CO MCULE-4504619516 [0,0,0,1,0,0|2,1,0]=4 1389 B8R1.1 NC1=NCC(S1)CO MCULE-6571214900 [0,0,0,1,0,0|2,1,0]=4 1390 B8R1.1 NC1=NCC(S1)CO MCULE-9202205601 [0,0,0,1,0,0|2,1,0]=4 1391 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,0,0,1,0,0|2,0,0]=3 1392 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,0,0,1,0,0|2,0,0]=3 1393 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,0,0,1,0,0|2,0,0]=3 1394 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,0,0,1,0,0|2,0,0]=3 1395 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,0,0,1,0,0|1,0,0]=2 1396 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,0,0,1,0,0|1,0,0]=2 1397 B8R1.1 NCC1CCC(C1)O MCULE-1780130995 [0,0,0,1,0,0|2,0,1]=4 1398 B8R1.1 NCC1CCC(C1)O MCULE-5002398342 [0,0,0,1,0,0|2,0,1]=4 1399 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,0,0,1,0,0|3,0,0]=4 1400 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,0,0,1,0,0|3,0,0]=4 1401 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,0,0,1,0,0|3,0,0]=4 1402 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,0,0,1,0,0|2,0,0]=3 1403 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,0,0,1,0,0|2,0,0]=3 1404 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,0,0,1,0,0|3,0,0]=4 1405 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,0,0,1,0,0|3,0,0]=4 1406 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,0,0,1,0,0|2,0,0]=3 1407 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,0,0,1,0,0|2,0,0]=3 1408 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,0,0,1,0,0|2,0,0]=3 1409 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,0,0,1,0,0|2,0,0]=3 1410 B8R1.1 NC[C@@H]1CC[C@@H](C1)O MCULE-2662561877 [0,0,0,1,0,0|2,0,1]=4 1411 B8R1.1 NC[C@@H]1CC[C@H](C1)O MCULE-9258933196 [0,0,0,1,0,0|2,0,1]=4 1412 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,0,0,1,0,0|3,0,0]=4 1413 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,0,0,1,0,0|3,0,0]=4 1414 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,0,0,1,0,0|3,0,0]=4 1415 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,0,0,1,0,0|3,0,0]=4 1416 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,0,0,1,0,0|2,0,0]=3 1417 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,0,0,1,0,0|2,0,0]=3 1418 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,0,0,1,0,0|2,0,0]=3 1419 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,0,0,1,0,0|2,0,0]=3 1420 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,0,0,1,0,0|2,0,0]=3 1421 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,0,0,1,0,0|2,0,0]=3 1422 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,0,0,1,0,0|2,0,0]=3 1423 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,0,0,1,0,0|2,0,0]=3 1424 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-1995293557 [0,0,0,1,0,0|2,0,1]=4 1425 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-9517253792 [0,0,0,1,0,0|2,0,1]=4 1426 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-5659749587 [0,0,0,1,0,0|2,0,1]=4 1427 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-9056303043 [0,0,0,1,0,0|2,0,1]=4 1428 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,0,0,1,0,0|3,0,0]=4 1429 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,0,0,1,0,0|3,0,0]=4 1430 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,0,0,1,0,0|3,0,0]=4 1431 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,0,0,1,0,0|3,0,0]=4 1432 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,0,0,1,0,0|2,0,0]=3 1433 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,0,0,1,0,0|2,0,0]=3 1434 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,0,0,1,0,0|2,0,0]=3 1435 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,0,0,1,0,0|2,0,0]=3 1436 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,0,0,1,0,0|3,0,0]=4 1437 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,0,0,1,0,0|3,0,0]=4 1438 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,0,0,1,0,0|2,0,1]=4 1439 B8R1.1 O=C1C=CC(O1)CBr MCULE-5454606396 [0,0,0,1,0,0|1,0,2]=4 1440 B8R1.1 O=C1C=CC(O1)CO MCULE-4249850069 [0,0,0,1,0,0|0,0,2]=3 1441 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-3027706549 [0,0,0,1,0,0|0,0,2]=3 1442 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-5764400462 [0,0,0,1,0,0|0,0,2]=3 1443 B8R1.1 O=C1CC(CN1)CBr MCULE-1780879209 [0,0,0,1,0,0|3,0,0]=4 1444 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,0,0,1,0,0|2,0,0]=3 1445 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,0,0,1,0,0|2,0,0]=3 1446 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,0,0,1,0,0|2,0,0]=3 1447 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,0,0,1,0,0|1,0,0]=2 1448 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,0,0,1,0,0|2,0,0]=3 1449 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,0,0,1,0,0|2,0,0]=3 1450 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,0,0,1,0,0|1,0,0]=2 1451 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,0,0,1,0,0|1,0,0]=2 1452 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,0,0,1,0,0|1,0,0]=2 1453 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,0,0,1,0,0|1,0,0]=2 1454 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,0,0,1,0,0|0,0,0]=1 1455 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,0,0,1,0,0|0,0,0]=1 1456 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,0,0,1,0,0|1,0,0]=2 1457 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,0,0,1,0,0|1,0,0]=2 1458 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,0,0,1,0,0|2,0,0]=3 1459 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,0,0,1,0,0|2,0,0]=3 1460 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,0,0,1,0,0|1,0,0]=2 1461 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,0,0,1,0,0|1,0,0]=2 1462 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,0,0,1,0,0|0,0,0]=1 1463 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,0,0,1,0,0|0,0,0]=1 1464 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,0,0,1,0,0|2,0,0]=3 1465 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,0,0,1,0,0|2,0,0]=3 1466 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,0,0,1,0,0|1,0,0]=2 1467 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,0,0,1,0,0|1,0,0]=2 1468 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,0,0,1,0,0|0,0,0]=1 1469 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,0,0,1,0,0|0,0,0]=1 1470 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,0,0,1,0,0|2,0,0]=3 1471 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,0,0,1,0,0|2,0,0]=3 1472 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,0,0,1,0,0|3,0,0]=4 1473 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,0,0,1,0,0|3,0,0]=4 1474 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,0,0,1,0,0|2,0,0]=3 1475 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,0,0,1,0,0|2,0,0]=3 1476 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,0,0,1,0,0|2,0,0]=3 1477 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,0,0,1,0,0|2,0,0]=3 1478 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,0,0,1,0,0|2,0,0]=3 1479 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,0,0,1,0,0|1,0,0]=2 1480 B8R1.1 O=C1NCC(S1)CBr MCULE-9963419555 [0,0,0,1,0,0|2,1,0]=4 1481 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,0,0,1,0,0|2,0,0]=3 1482 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,0,0,1,0,0|1,0,0]=2 1483 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,0,0,1,0,0|1,0,0]=2 1484 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,0,0,1,0,0|2,0,0]=3 1485 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,0,0,1,0,0|1,0,0]=2 1486 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,0,0,1,0,0|1,0,0]=2 1487 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,0,0,1,0,0|2,0,0]=3 1488 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,0,0,1,0,0|2,0,0]=3 1489 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,0,0,1,0,0|3,0,0]=4 1490 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,0,0,1,0,0|3,0,0]=4 1491 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,0,0,1,0,0|2,0,0]=3 1492 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,0,0,1,0,0|2,0,0]=3 1493 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,0,0,1,0,0|2,0,0]=3 1494 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,0,0,1,0,0|2,0,0]=3 1495 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,0,0,1,0,0|1,0,0]=2 1496 B8R1.1 OCC1CC(CN1)O MCULE-1017614151 [0,0,0,1,0,0|2,0,1]=4 1497 B8R1.1 OCC1CC(CN1)O MCULE-5049675085 [0,0,0,1,0,0|2,0,1]=4 1498 B8R1.1 OCC1CC(CO1)O MCULE-4648895678 [0,0,0,1,0,0|2,0,1]=4 1499 B8R1.1 OCC1CCC(C1)F MCULE-4786923020 [0,0,0,1,0,0|2,0,1]=4 1500 B8R1.1 OCC1CCC(C1)O MCULE-5225292788 [0,0,0,1,0,0|1,0,1]=3 1501 B8R1.1 OC[C@@H]1CC[C@@H](C1)O MCULE-7117159358 [0,0,0,1,0,0|1,0,1]=3 1502 B8R1.1 OC[C@@H]1CC[C@H](C1)F MCULE-4252726732 [0,0,0,1,0,0|2,0,1]=4 1503 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-2521610955 [0,0,0,1,0,0|2,0,1]=4 1504 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-3659134136 [0,0,0,1,0,0|2,0,1]=4 1505 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-8149895498 [0,0,0,1,0,0|2,0,1]=4 1506 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-9582350102 [0,0,0,1,0,0|2,0,1]=4 1507 B8R1.1 OC[C@@H]1C[C@@H](CO1)O MCULE-7875239623 [0,0,0,1,0,0|2,0,1]=4 1508 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-4908761192 [0,0,0,1,0,0|2,0,1]=4 1509 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-5510339033 [0,0,0,1,0,0|2,0,1]=4 1510 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-7612890329 [0,0,0,1,0,0|2,0,1]=4 1511 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-8424913442 [0,0,0,1,0,0|2,0,1]=4 1512 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-7760122854 [0,0,0,1,0,0|1,0,1]=3 1513 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-9132554470 [0,0,0,1,0,0|1,0,1]=3 1514 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-2855908983 [0,0,0,1,0,0|2,0,1]=4 1515 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-5564885819 [0,0,0,1,0,0|2,0,1]=4 1516 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-9276468823 [0,0,0,1,0,0|2,0,1]=4 1517 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-9585503921 [0,0,0,1,0,0|2,0,1]=4 1518 B8R1.1 OC[C@H]1C[C@@H](CO1)O MCULE-5801561749 [0,0,0,1,0,0|2,0,1]=4 1519 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-2099905531 [0,0,0,1,0,0|2,0,1]=4 1520 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-5693059049 [0,0,0,1,0,0|2,0,1]=4 1521 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-6004929736 [0,0,0,1,0,0|2,0,1]=4 1522 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-8607282785 [0,0,0,1,0,0|2,0,1]=4 1523 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4197376814 [0,0,0,1,0,0|2,0,1]=4 1524 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4573543387 [0,0,0,1,0,0|2,0,1]=4 1525 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,0,0,1,0,0|2,0,0]=3 1526 B8R1.1 [C@H]1(C[C@H](CN1)O)CO MCULE-4041584401 [0,0,0,1,0,0|2,0,1]=4 1527 B8R1.1 [C@H]1(C[C@H](CN1)O)CO MCULE-9607072956 [0,0,0,1,0,0|2,0,1]=4 1528 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,0,0,1,0,0|3,0,0]=4 1529 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,0,0,1,0,0|3,0,0]=4 1530 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,0,0,1,0,0|3,0,0]=4 1531 B8R1.4 C1(CCCN(C1)C)O MCULE-3423318871 [0,0,0,1,0,0|3,0,0]=4 1532 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,0,0,1,0,0|3,0,0]=4 1533 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,0,0,1,0,0|1,0,1]=3 1534 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,0,0,1,0,0|2,0,1]=4 1535 B8R1.4 CC1=CC(CCC1)O MCULE-3389687006 [0,0,0,1,0,0|2,0,0]=3 1536 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,0,0,1,0,0|1,0,2]=4 1537 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,0,0,1,0,0|3,0,0]=4 1538 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,0,0,1,0,0|3,0,0]=4 1539 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,0,0,1,0,0|3,0,0]=4 1540 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,0,0,1,0,0|3,0,0]=4 1541 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,0,0,1,0,0|3,0,0]=4 1542 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,0,0,1,0,0|1,0,2]=4 1543 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,1,0,0|2,0,0]=3 1544 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,1,0,0|2,0,0]=3 1545 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,0,0,1,0,0|2,0,0]=3 1546 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,0,0,1,0,0|1,0,0]=2 1547 B8R1.4 CC1CCCC(C1)O MCULE-5839979596 [0,0,0,1,0,0|2,0,1]=4 1548 B8R1.4 CC1CCC[C@H](C1)O MCULE-8817611474 [0,0,0,1,0,0|2,0,1]=4 1549 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,1,0,0|3,0,0]=4 1550 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,0,0,1,0,0|3,0,0]=4 1551 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,1,0,0|3,0,0]=4 1552 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,1,0,0|2,0,0]=3 1553 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [0,0,0,1,0,0|3,0,0]=4 1554 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,0,0,1,0,0|3,0,0]=4 1555 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,0,0,1,0,0|3,0,0]=4 1556 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,0,0,1,0,0|3,0,0]=4 1557 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,0,0,1,0,0|3,0,0]=4 1558 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,0,0,1,0,0|3,0,0]=4 1559 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,0,0,1,0,0|3,0,0]=4 1560 B8R1.4 CN1CCCC(C1)O MCULE-1282411969 [0,0,0,1,0,0|3,0,0]=4 1561 B8R1.4 CN1CCCC(C1)O MCULE-5914090374 [0,0,0,1,0,0|3,0,0]=4 1562 B8R1.4 CN1CCC[C@@H](C1)O MCULE-7507199450 [0,0,0,1,0,0|3,0,0]=4 1563 B8R1.4 CN1CCC[C@@H](C1)O MCULE-7595542900 [0,0,0,1,0,0|3,0,0]=4 1564 B8R1.4 CN1CCC[C@H](C1)O MCULE-1943345564 [0,0,0,1,0,0|3,0,0]=4 1565 B8R1.4 CN1CCC[C@H](C1)O MCULE-2523873601 [0,0,0,1,0,0|3,0,0]=4 1566 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,0,0,1,0,0|3,0,0]=4 1567 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,0,0,1,0,0|3,0,0]=4 1568 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,0,0,1,0,0|3,0,0]=4 1569 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,0,0,1,0,0|3,0,0]=4 1570 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,0,0,1,0,0|3,0,0]=4 1571 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,0,0,1,0,0|3,0,0]=4 1572 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,1,0,0|2,0,0]=3 1573 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,1,0,0|2,0,0]=3 1574 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,0,0,1,0,0|2,0,0]=3 1575 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,0,0,1,0,0|2,0,0]=3 1576 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,0,0,1,0,0|1,0,0]=2 1577 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,0,0,1,0,0|1,0,0]=2 1578 B8R1.4 C[C@@H]1CCC[C@@H](C1)O MCULE-9818117668 [0,0,0,1,0,0|2,0,1]=4 1579 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,0,0,1,0,0|3,0,0]=4 1580 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,0,0,1,0,0|3,0,0]=4 1581 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,0,0,1,0,0|3,0,0]=4 1582 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,0,0,1,0,0|3,0,0]=4 1583 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,0,0,1,0,0|3,0,0]=4 1584 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,0,0,1,0,0|3,0,0]=4 1585 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,0,0,1,0,0|3,0,0]=4 1586 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,0,0,1,0,0|3,0,0]=4 1587 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,0,0,1,0,0|3,0,0]=4 1588 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,0,0,1,0,0|3,0,0]=4 1589 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,0,0,1,0,0|3,0,0]=4 1590 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,0,0,1,0,0|3,0,0]=4 1591 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,0,0,1,0,0|3,0,0]=4 1592 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,1,0,0|2,0,0]=3 1593 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,1,0,0|2,0,0]=3 1594 B8R1.4 C[C@H]1CCC[C@H](C1)O MCULE-9355825371 [0,0,0,1,0,0|2,0,1]=4 1595 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,1,0,0|3,0,0]=4 1596 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,0,0,1,0,0|3,0,0]=4 1597 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,0,0,1,0,0|3,0,0]=4 1598 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,0,0,1,0,0|3,0,0]=4 1599 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,0,0,1,0,0|3,0,0]=4 1600 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,0,0,1,0,0|3,0,0]=4 1601 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,0,0,1,0,0|3,0,0]=4 1602 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,0,0,1,0,0|2,0,1]=4 1603 B8R1.4 NC1C=C(CCC1)F MCULE-7477602128 [0,0,0,1,0,0|3,0,0]=4 1604 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,1,0,0|2,0,0]=3 1605 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,1,0,0|2,0,0]=3 1606 B8R1.4 NC1CCCC(C1)O MCULE-6642881941 [0,0,0,1,0,0|2,0,1]=4 1607 B8R1.4 NC1CCCC(C1)O MCULE-7481733301 [0,0,0,1,0,0|2,0,1]=4 1608 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,1,0,0|3,0,0]=4 1609 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,1,0,0|3,0,0]=4 1610 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,1,0,0|3,0,0]=4 1611 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,1,0,0|3,0,0]=4 1612 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,1,0,0|3,0,0]=4 1613 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,1,0,0|3,0,0]=4 1614 B8R1.4 NN1CCCC(C1)O MCULE-4022389356 [0,0,0,1,0,0|3,0,0]=4 1615 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,1,0,0|2,0,0]=3 1616 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-2185895220 [0,0,0,1,0,0|2,0,1]=4 1617 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-6878512399 [0,0,0,1,0,0|2,0,1]=4 1618 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-7794771906 [0,0,0,1,0,0|2,0,1]=4 1619 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-9600913098 [0,0,0,1,0,0|2,0,1]=4 1620 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-3943542357 [0,0,0,1,0,0|2,0,1]=4 1621 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-7462583711 [0,0,0,1,0,0|2,0,1]=4 1622 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-8163415958 [0,0,0,1,0,0|2,0,1]=4 1623 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-9050533878 [0,0,0,1,0,0|2,0,1]=4 1624 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,1,0,0|3,0,0]=4 1625 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,1,0,0|3,0,0]=4 1626 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,1,0,0|3,0,0]=4 1627 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,1,0,0|2,0,0]=3 1628 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-2088777566 [0,0,0,1,0,0|2,0,1]=4 1629 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-6052884406 [0,0,0,1,0,0|2,0,1]=4 1630 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-7145455722 [0,0,0,1,0,0|2,0,1]=4 1631 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-8458598098 [0,0,0,1,0,0|2,0,1]=4 1632 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-1402442931 [0,0,0,1,0,0|2,0,1]=4 1633 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-2566868682 [0,0,0,1,0,0|2,0,1]=4 1634 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-8263508625 [0,0,0,1,0,0|2,0,1]=4 1635 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9158452946 [0,0,0,1,0,0|2,0,1]=4 1636 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9908500977 [0,0,0,1,0,0|2,0,1]=4 1637 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,1,0,0|3,0,0]=4 1638 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,1,0,0|3,0,0]=4 1639 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,1,0,0|3,0,0]=4 1640 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [0,0,0,1,0,0|2,0,1]=4 1641 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [0,0,0,1,0,0|2,0,1]=4 1642 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [0,0,0,1,0,0|2,0,1]=4 1643 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [0,0,0,1,0,0|1,0,1]=3 1644 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [0,0,0,1,0,0|2,0,1]=4 1645 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,1,0,0|3,0,0]=4 1646 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,1,0,0|3,0,0]=4 1647 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,1,0,0|2,0,0]=3 1648 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,1,0,0|2,0,0]=3 1649 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,0,0,1,0,0|1,0,2]=4 1650 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [0,0,0,1,0,0|1,0,2]=4 1651 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,0,0,1,0,0|0,0,2]=3 1652 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,1,0,0|1,0,0]=2 1653 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,1,0,0|1,0,0]=2 1654 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,0,0,1,0,0|1,0,2]=4 1655 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,0,0,1,0,0|1,0,2]=4 1656 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,0,0,1,0,0|2,0,0]=3 1657 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [0,0,0,1,0,0|1,0,2]=4 1658 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,1,0,0|2,0,0]=3 1659 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,1,0,0|2,0,0]=3 1660 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,1,0,0|2,0,0]=3 1661 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,1,0,0|2,0,0]=3 1662 B8R1.4 OC1C=C(COC1)Br MCULE-4969292541 [0,0,0,1,0,0|3,0,0]=4 1663 B8R1.4 OC1CCCC(C1)O MCULE-5377622416 [0,0,0,1,0,0|1,0,1]=3 1664 B8R1.4 OC1CNCC(C1)O MCULE-1197120974 [0,0,0,1,0,0|2,0,1]=4 1665 B8R1.4 OC1CNCC(C1)O MCULE-4759581472 [0,0,0,1,0,0|2,0,1]=4 1666 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-1135108851 [0,0,0,1,0,0|1,0,1]=3 1667 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-4488851523 [0,0,0,1,0,0|1,0,1]=3 1668 B8R1.4 O[C@@H]1CNC[C@@H](C1)O MCULE-1294085941 [0,0,0,1,0,0|2,0,1]=4 1669 B8R1.4 O[C@@H]1CNC[C@@H](C1)O MCULE-3774231585 [0,0,0,1,0,0|2,0,1]=4 1670 B8R1.4 O[C@@H]1CNC[C@H](C1)O MCULE-5630014959 [0,0,0,1,0,0|2,0,1]=4 1671 B8R1.4 O[C@@H]1CNC[C@H](C1)O MCULE-8096152429 [0,0,0,1,0,0|2,0,1]=4 1672 B8R1.4 O[C@H]1CCC[C@@H](C1)O MCULE-4718573149 [0,0,0,1,0,0|1,0,1]=3 1673 B8R1.4 O[C@H]1CCC[C@H](C1)O MCULE-9402957017 [0,0,0,1,0,0|1,0,1]=3 1674 B8R1.4 O[C@H]1CNC[C@@H](C1)O MCULE-3635256197 [0,0,0,1,0,0|2,0,1]=4 1675 B8R1.4 O[C@H]1CNC[C@@H](C1)O MCULE-7162868831 [0,0,0,1,0,0|2,0,1]=4 1676 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,0,0,1,0,0|2,0,0]=3 1677 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-1919170190 [0,0,0,1,0,0|2,0,1]=4 1678 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-2985238129 [0,0,0,1,0,0|2,0,1]=4 1679 B8R1.6 CCCC1CC(=O)C1 MCULE-8820429798 [0,0,0,1,0,0|2,0,0]=3 1680 B8R1.6 CN1CC(C1)CCO MCULE-8801111188 [0,0,0,1,0,0|3,0,0]=4 1681 B8R1.6 COCC1CC(=O)C1 MCULE-2514529767 [0,0,0,1,0,0|3,0,0]=4 1682 B8R1.6 N#CCC1CC(=O)C1 MCULE-7117602408 [0,0,0,1,0,0|2,0,1]=4 1683 B8R1.6 NC1CC(C1)CCO MCULE-7650277053 [0,0,0,1,0,0|2,0,1]=4 1684 B8R1.6 NCCC1CC(C1)O MCULE-6387064695 [0,0,0,1,0,0|2,0,1]=4 1685 B8R1.6 NCCC1CC(C1)O MCULE-9498169113 [0,0,0,1,0,0|2,0,1]=4 1686 B8R1.6 NCC[C@H]1C[C@H](C1)O MCULE-1788933104 [0,0,0,1,0,0|2,0,1]=4 1687 B8R1.6 NCC[C@H]1C[C@H](C1)O MCULE-5167300652 [0,0,0,1,0,0|2,0,1]=4 1688 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,0,0,1,0,0|2,0,0]=3 1689 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,0,0,1,0,0|2,0,0]=3 1690 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [0,0,0,1,0,0|3,0,0]=4 1691 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [0,0,0,1,0,0|3,0,0]=4 1692 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,0,0,1,0,0|2,0,0]=3 1693 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,0,0,1,0,0|2,0,0]=3 1694 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [0,0,0,1,0,0|2,0,0]=3 1695 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [0,0,0,1,0,0|2,0,1]=4 1696 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [0,0,0,1,0,0|2,0,1]=4 1697 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,0,0,1,0,0|2,0,0]=3 1698 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,0,0,1,0,0|2,0,0]=3 1699 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,0,0,1,0,0|2,0,0]=3 1700 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [0,0,0,1,0,0|1,0,0]=2 1701 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [0,0,0,1,0,0|3,0,0]=4 1702 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [0,0,0,1,0,0|3,0,0]=4 1703 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [0,0,0,1,0,0|3,0,0]=4 1704 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [0,0,0,1,0,0|2,1,0]=4 1705 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [0,0,0,1,0,0|2,1,0]=4 1706 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [0,0,0,1,0,0|3,0,0]=4 1707 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,0,0,1,0,0|2,0,0]=3 1708 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,0,0,1,0,0|2,0,0]=3 1709 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,0,0,1,0,0|2,0,0]=3 1710 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,0,0,1,0,0|2,0,0]=3 1711 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [0,0,0,1,0,0|1,0,0]=2 1712 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [0,0,0,1,0,0|1,0,0]=2 1713 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,0,0,1,0,0|2,0,0]=3 1714 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,0,0,1,0,0|2,0,0]=3 1715 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [0,0,0,1,0,0|1,0,0]=2 1716 B8R1.7 CC(N)C1CCCO1 MCULE-2883137296 [0,0,0,1,0,0|2,0,1]=4 1717 B8R1.7 CC(N)C1CCCO1 MCULE-3041511194 [0,0,0,1,0,0|2,0,1]=4 1718 B8R1.7 CC(O)C1CCCC1 MCULE-6730583511 [0,0,0,1,0,0|2,0,1]=4 1719 B8R1.7 CC(O)C1CCCO1 MCULE-2804362263 [0,0,0,1,0,0|1,0,1]=3 1720 B8R1.7 C[C@@H](O)C1CCCC1 MCULE-2530250478 [0,0,0,1,0,0|2,0,1]=4 1721 B8R1.7 C[C@@H](O)[C@H]1CCCO1 MCULE-6393902221 [0,0,0,1,0,0|1,0,1]=3 1722 B8R1.7 C[C@H](N)C1CCCO1 MCULE-6245058799 [0,0,0,1,0,0|2,0,1]=4 1723 B8R1.7 C[C@H](N)C1CCCO1 MCULE-6470683195 [0,0,0,1,0,0|2,0,1]=4 1724 B8R1.7 C[C@H](O)C1CCCC1 MCULE-9054245488 [0,0,0,1,0,0|2,0,1]=4 1725 B8R1.7 C[C@H](O)C1CCCO1 MCULE-5402066981 [0,0,0,1,0,0|1,0,1]=3 1726 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5014228849 [0,0,0,1,0,0|2,0,1]=4 1727 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5063876687 [0,0,0,1,0,0|2,0,1]=4 1728 B8R1.7 C[C@H](O)[C@@H]1CCCO1 MCULE-3917713920 [0,0,0,1,0,0|1,0,1]=3 1729 B8R1.7 N=C(N)C1CCCC1 MCULE-3526902612 [0,0,0,1,0,0|3,0,0]=4 1730 B8R1.7 N=C(N)C1CCCC1 MCULE-7613986881 [0,0,0,1,0,0|3,0,0]=4 1731 B8R1.7 N=C(N)C1CCCN1 MCULE-3357684433 [0,0,0,1,0,0|3,0,0]=4 1732 B8R1.7 N=C(N)C1CCCN1 MCULE-7506606085 [0,0,0,1,0,0|3,0,0]=4 1733 B8R1.7 N=C(N)C1CCCO1 MCULE-1348627071 [0,0,0,1,0,0|2,0,0]=3 1734 B8R1.7 N=C(N)C1CCCO1 MCULE-4359589378 [0,0,0,1,0,0|2,0,0]=3 1735 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,0,0,1,0,0|2,0,0]=3 1736 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,0,0,1,0,0|2,0,0]=3 1737 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,0,0,1,0,0|2,0,0]=3 1738 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [0,0,0,1,0,0|1,0,0]=2 1739 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [0,0,0,1,0,0|3,0,0]=4 1740 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [0,0,0,1,0,0|3,0,0]=4 1741 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [0,0,0,1,0,0|3,0,0]=4 1742 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [0,0,0,1,0,0|3,0,0]=4 1743 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [0,0,0,1,0,0|3,0,0]=4 1744 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,0,0,1,0,0|2,0,0]=3 1745 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,0,0,1,0,0|2,0,0]=3 1746 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,0,0,1,0,0|2,0,0]=3 1747 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,0,0,1,0,0|2,0,0]=3 1748 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [0,0,0,1,0,0|1,0,0]=2 1749 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [0,0,0,1,0,0|1,0,0]=2 1750 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [0,0,0,1,0,0|3,0,0]=4 1751 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [0,0,0,1,0,0|3,0,0]=4 1752 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [0,0,0,1,0,0|3,0,0]=4 1753 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [0,0,0,1,0,0|3,0,0]=4 1754 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,0,0,1,0,0|2,0,0]=3 1755 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,0,0,1,0,0|2,0,0]=3 1756 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,0,0,1,0,0|2,0,0]=3 1757 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,0,0,1,0,0|2,0,0]=3 1758 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [0,0,0,1,0,0|3,0,0]=4 1759 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [0,0,0,1,0,0|3,0,0]=4 1760 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [0,0,0,1,0,0|3,0,0]=4 1761 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [0,0,0,1,0,0|3,0,0]=4 1762 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [0,0,0,1,0,0|3,0,0]=4 1763 B8R1.7 NC(=S)C1CCCC1 MCULE-8081902896 [0,0,0,1,0,0|2,1,0]=4 1764 B8R1.7 NC(=S)C1CCCO1 MCULE-7906949480 [0,0,0,1,0,0|1,1,0]=3 1765 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,0,0,1,0,0|2,0,0]=3 1766 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [0,0,0,1,0,0|1,0,0]=2 1767 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [0,0,0,1,0,0|3,0,0]=4 1768 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [0,0,0,1,0,0|3,0,0]=4 1769 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,0,0,1,0,0|1,0,1]=3 1770 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,0,0,1,0,0|0,0,2]=3 1771 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [0,0,0,1,0,0|0,1,2]=4 1772 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [0,0,0,1,0,0|2,0,1]=4 1773 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [0,0,0,1,0,0|2,0,1]=4 1774 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,0,0,1,0,0|2,0,1]=4 1775 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [0,0,0,1,0,0|2,0,1]=4 1776 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,0,0,1,0,0|2,0,1]=4 1777 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,0,0,1,0,0|1,0,1]=3 1778 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,0,0,1,0,0|2,0,1]=4 1779 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,0,0,1,0,0|1,0,1]=3 1780 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [0,0,0,1,0,0|1,0,2]=4 1781 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [0,0,0,1,0,0|1,0,2]=4 1782 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [0,0,0,1,0,0|1,0,2]=4 1783 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [0,0,0,1,0,0|1,0,2]=4 1784 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [0,0,0,1,0,0|0,0,2]=3 1785 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [0,0,0,1,0,0|1,0,2]=4 1786 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [0,0,0,1,0,0|1,0,1]=3 1787 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,0,0,1,0,0|1,0,0]=2 1788 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,0,0,1,0,0|1,0,0]=2 1789 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,0,0,1,0,0|1,0,0]=2 1790 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,0,0,1,0,0|1,0,0]=2 1791 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,0,0,1,0,0|1,0,0]=2 1792 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,0,0,1,0,0|0,0,0]=1 1793 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,0,0,1,0,0|0,0,0]=1 1794 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,0,0,1,0,0|0,1,0]=2 1795 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,0,0,1,0,0|2,0,0]=3 1796 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,0,0,1,0,0|2,0,0]=3 1797 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,0,0,1,0,0|2,0,0]=3 1798 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [0,0,0,1,0,0|2,0,0]=3 1799 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,0,0,1,0,0|2,0,0]=3 1800 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [0,0,0,1,0,0|2,0,0]=3 1801 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [0,0,0,1,0,0|2,0,0]=3 1802 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [0,0,0,1,0,0|2,0,0]=3 1803 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [0,0,0,1,0,0|2,0,0]=3 1804 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [0,0,0,1,0,0|3,0,0]=4 1805 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [0,0,0,1,0,0|1,1,0]=3 1806 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [0,0,0,1,0,0|1,1,0]=3 1807 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,0,0,1,0,0|2,0,0]=3 1808 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [0,0,0,1,0,0|1,0,2]=4 1809 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [0,0,0,1,0,0|1,0,2]=4 1810 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [0,0,0,1,0,0|1,0,2]=4 1811 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [0,0,0,1,0,0|1,0,2]=4 1812 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,0,0,1,0,0|1,0,0]=2 1813 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,0,0,1,0,0|1,0,0]=2 1814 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,0,0,1,0,0|1,0,0]=2 1815 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,0,0,1,0,0|1,0,0]=2 1816 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,0,0,1,0,0|0,0,0]=1 1817 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,0,0,1,0,0|0,0,0]=1 1818 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,0,0,1,0,0|2,0,0]=3 1819 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,0,0,1,0,0|2,0,0]=3 1820 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,0,0,1,0,0|2,0,0]=3 1821 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,0,0,1,0,0|2,0,0]=3 1822 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [0,0,0,1,0,0|2,0,0]=3 1823 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [0,0,0,1,0,0|2,0,0]=3 1824 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [0,0,0,1,0,0|2,0,0]=3 1825 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [0,0,0,1,0,0|2,0,0]=3 1826 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [0,0,0,1,0,0|2,0,0]=3 1827 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [0,0,0,1,0,0|2,0,0]=3 1828 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [0,0,0,1,0,0|2,0,0]=3 1829 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [0,0,0,1,0,0|2,0,0]=3 1830 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [0,0,0,1,0,0|1,0,2]=4 1831 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [0,0,0,1,0,0|1,0,2]=4 1832 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [0,0,0,1,0,0|1,0,2]=4 1833 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,0,0,1,0,0|1,0,0]=2 1834 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,0,0,1,0,0|1,0,0]=2 1835 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,0,0,1,0,0|0,0,0]=1 1836 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,0,0,1,0,0|0,0,0]=1 1837 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,0,0,1,0,0|2,0,0]=3 1838 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,0,0,1,0,0|2,0,0]=3 1839 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,0,0,1,0,0|2,0,0]=3 1840 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,0,0,1,0,0|2,0,0]=3 1841 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [0,0,0,1,0,0|2,0,0]=3 1842 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [0,0,0,1,0,0|2,0,0]=3 1843 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [0,0,0,1,0,0|2,0,0]=3 1844 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [0,0,0,1,0,0|2,0,0]=3 1845 B8R1.7 O=C([O-])C1CCC=N1 MCULE-3235635441 [0,0,0,1,0,0|1,0,2]=4 1846 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,0,0,1,0,0|1,0,1]=3 1847 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [0,0,0,1,0,0|2,0,1]=4 1848 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,0,0,1,0,0|1,0,1]=3 1849 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,0,0,1,0,0|1,0,1]=3 1850 B8R1.7 O=N(=O)C1CCCC1 MCULE-6499665829 [0,0,0,1,0,0|2,0,1]=4 1851 B8R1.7 O=S([O-])C1CCCC1 MCULE-4973639131 [0,0,0,1,0,0|2,0,1]=4 1852 B8R1.7 O=S([O-])C1CCCC1 MCULE-9227389818 [0,0,0,1,0,0|2,0,1]=4 1853 B8R1.7 OB(O)C1CCCC1 MCULE-7101191940 [0,0,0,1,0,0|2,0,1]=4 1854 B8R1.7 OB(O)C1CCCN1 MCULE-5123578937 [0,0,0,1,0,0|2,0,1]=4 1855 B8R1.7 OB(O)C1CCCN1 MCULE-6072524963 [0,0,0,1,0,0|2,0,1]=4 1856 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [0,0,0,1,0,0|2,0,1]=4 1857 B8R1.19 CC1(CCCC1N)O MCULE-3396541731 [0,0,0,1,0,0|2,0,1]=4 1858 B8R1.19 CC1(CCCC1O)C MCULE-4878410443 [0,0,0,1,0,0|2,0,1]=4 1859 B8R1.19 CC1(CCCC1O)O MCULE-7509860049 [0,0,0,1,0,0|1,0,1]=3 1860 B8R1.19 CC1(CCC[C@@H]1O)C MCULE-9402548740 [0,0,0,1,0,0|2,0,1]=4 1861 B8R1.19 CC1(CCC[C@H]1O)C MCULE-3856604720 [0,0,0,1,0,0|2,0,1]=4 1862 B8R1.19 CC1CCCS1(=O)=O MCULE-2985632984 [0,0,0,1,0,0|2,0,1]=4 1863 B8R1.19 C[C@@]1(CCC[C@@H]1N)O MCULE-4508286005 [0,0,0,1,0,0|2,0,1]=4 1864 B8R1.19 C[C@@]1(CCC[C@@H]1N)O MCULE-9668737274 [0,0,0,1,0,0|2,0,1]=4 1865 B8R1.19 C[C@@]1(CCC[C@H]1N)O MCULE-2369187970 [0,0,0,1,0,0|2,0,1]=4 1866 B8R1.19 C[C@]1(CCC[C@@H]1N)O MCULE-2644040109 [0,0,0,1,0,0|2,0,1]=4 1867 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-2446086306 [0,0,0,1,0,0|2,0,1]=4 1868 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-8959851594 [0,0,0,1,0,0|2,0,1]=4 1869 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-9937788175 [0,0,0,1,0,0|2,0,1]=4 1870 B8R1.19 OC1CCCC1(F)F MCULE-8959457751 [0,0,0,1,0,0|2,0,1]=4 1871 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,0|1,0,0]=2 1872 B8R1.22 BrC1=CCCCCC1 MCULE-1629255872 [0,0,0,1,0,0|3,0,0]=4 1873 B8R1.22 C=C1CNCCOC1 MCULE-6114191545 [0,0,0,1,0,0|3,0,0]=4 1874 B8R1.22 C=C1CNCCOC1 MCULE-6722705565 [0,0,0,1,0,0|3,0,0]=4 1875 B8R1.22 C=C1COCCOC1 MCULE-3194930888 [0,0,0,1,0,0|3,0,0]=4 1876 B8R1.22 C=C1OCCCCO1 MCULE-8283334358 [0,0,0,1,0,0|3,0,0]=4 1877 B8R1.22 NC1=NCCCCC1 MCULE-2757008672 [0,0,0,1,0,0|3,0,0]=4 1878 B8R1.22 NC1=NCCCCC1 MCULE-7781415779 [0,0,0,1,0,0|3,0,0]=4 1879 B8R1.22 O=C1C=CCCCC1 MCULE-5281461360 [0,0,0,1,0,0|2,0,0]=3 1880 B8R1.22 O=C1C=CCCCN1 MCULE-6257739832 [0,0,0,1,0,0|3,0,0]=4 1881 B8R1.22 O=C1CCCCCC1 MCULE-3507111924 [0,0,0,1,0,0|2,0,0]=3 1882 B8R1.22 O=C1CCCCCN1 MCULE-4544579564 [0,0,0,1,0,0|2,0,0]=3 1883 B8R1.22 O=C1CCCCCO1 MCULE-3051096014 [0,0,0,1,0,0|1,0,0]=2 1884 B8R1.22 O=C1CCCCNC1 MCULE-8257380915 [0,0,0,1,0,0|2,0,0]=3 1885 B8R1.22 O=C1CCCCNC1 MCULE-8344538815 [0,0,0,1,0,0|2,0,0]=3 1886 B8R1.22 O=C1CCCNCC1 MCULE-3201401906 [0,0,0,1,0,0|3,0,0]=4 1887 B8R1.22 O=C1CCCNCC1 MCULE-8264253371 [0,0,0,1,0,0|3,0,0]=4 1888 B8R1.22 O=C1CCCOCC1 MCULE-9595066384 [0,0,0,1,0,0|3,0,0]=4 1889 B8R1.22 O=C1CCCSCC1 MCULE-9359592851 [0,0,0,1,0,0|3,0,0]=4 1890 B8R1.22 O=C1CCNCCN1 MCULE-1678306131 [0,0,0,1,0,0|3,0,0]=4 1891 B8R1.22 O=C1CCNCCN1 MCULE-1867860146 [0,0,0,1,0,0|3,0,0]=4 1892 B8R1.22 O=C1CCOCCN1 MCULE-6881734685 [0,0,0,1,0,0|3,0,0]=4 1893 B8R1.22 O=C1CCOCCO1 MCULE-1433837187 [0,0,0,1,0,0|2,0,0]=3 1894 B8R1.22 O=C1CCSCCN1 MCULE-9445131358 [0,0,0,1,0,0|3,0,0]=4 1895 B8R1.22 O=C1CNCCCN1 MCULE-6106237928 [0,0,0,1,0,0|3,0,0]=4 1896 B8R1.22 O=C1CNCCCN1 MCULE-9943393784 [0,0,0,1,0,0|3,0,0]=4 1897 B8R1.22 O=C1CNCCNC1 MCULE-2450825992 [0,0,0,1,0,0|3,0,0]=4 1898 B8R1.22 O=C1CNCCNC1 MCULE-7379420394 [0,0,0,1,0,0|3,0,0]=4 1899 B8R1.22 O=C1CNCCOC1 MCULE-7546546158 [0,0,0,1,0,0|2,0,0]=3 1900 B8R1.22 O=C1CNCCOC1 MCULE-9183427962 [0,0,0,1,0,0|2,0,0]=3 1901 B8R1.22 O=C1COCCCN1 MCULE-1471963909 [0,0,0,1,0,0|2,0,0]=3 1902 B8R1.22 O=C1COCCOC1 MCULE-4481438739 [0,0,0,1,0,0|2,0,0]=3 1903 B8R1.22 O=C1CSCCSC1 MCULE-5039848738 [0,0,0,1,0,0|2,1,0]=4 1904 B8R1.22 O=C1OCCCCO1 MCULE-1107419276 [0,0,0,1,0,0|2,0,0]=3 1905 B8R1.22 O=S1OCCCCO1 MCULE-6898726705 [0,0,0,1,0,0|3,0,0]=4 1906 B8R1.22 OC1CCCCCC1 MCULE-2514105258 [0,0,0,1,0,0|2,0,1]=4 1907 B8R1.22 OC1CCCCNC1 MCULE-1190427956 [0,0,0,1,0,0|2,0,1]=4 1908 B8R1.22 OC1CCCCNC1 MCULE-1421732173 [0,0,0,1,0,0|2,0,1]=4 1909 B8R1.22 OC1CNCCOC1 MCULE-2428391064 [0,0,0,1,0,0|2,0,1]=4 1910 B8R1.22 OC1CNCCOC1 MCULE-5528486665 [0,0,0,1,0,0|2,0,1]=4 1911 B8R1.22 OC1COCCOC1 MCULE-2284989485 [0,0,0,1,0,0|2,0,1]=4 1912 B8R1.22 O[C@@H]1CCCCNC1 MCULE-1012232836 [0,0,0,1,0,0|2,0,1]=4 1913 B8R1.22 O[C@@H]1CCCCNC1 MCULE-8021135676 [0,0,0,1,0,0|2,0,1]=4 1914 B8R1.22 O[C@@H]1CNCCOC1 MCULE-5133055470 [0,0,0,1,0,0|2,0,1]=4 1915 B8R1.22 O[C@@H]1CNCCOC1 MCULE-7942990292 [0,0,0,1,0,0|2,0,1]=4 1916 B8R1.22 O[C@H]1CCCCNC1 MCULE-3979929214 [0,0,0,1,0,0|2,0,1]=4 1917 B8R1.22 O[C@H]1CCCCNC1 MCULE-8051415954 [0,0,0,1,0,0|2,0,1]=4 1918 B8R1.22 O[C@H]1CNCCOC1 MCULE-6353150297 [0,0,0,1,0,0|2,0,1]=4 1919 B8R1.22 S=C1CCCCCN1 MCULE-6573611309 [0,0,0,1,0,0|2,1,0]=4 1920 B8R1.27 CC1(CC1CCO)C MCULE-7855895874 [0,0,0,1,0,0|2,0,1]=4 1921 B8R1.27 OCCC1CC1(Cl)Cl MCULE-7795021890 [0,0,0,1,0,0|2,0,1]=4 1922 B8R1.27 OCCC1CC1(F)F MCULE-6715513139 [0,0,0,1,0,0|2,0,1]=4 1923 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,0,0,1,0,0|2,0,0]=3 1924 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,0,0,1,0,0|1,0,1]=3 1925 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,0,0,1,0,0|2,0,0]=3 1926 B8R1.31 CC(O)C1CCC1F MCULE-2872972823 [0,0,0,1,0,0|2,0,1]=4 1927 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,0,0,1,0,0|1,0,0]=2 1928 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,0,0,1,0,0|2,0,0]=3 1929 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,0,0,1,0,0|2,0,0]=3 1930 B8R1.31 CN(C)[C@@H]1CC[C@H]1O MCULE-1886348176 [0,0,0,1,0,0|3,0,0]=4 1931 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,0,0,1,0,0|2,0,0]=3 1932 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,0,0,1,0,0|2,0,0]=3 1933 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,0,0,1,0,0|2,0,0]=3 1934 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,0,0,1,0,0|2,0,0]=3 1935 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,0,0,1,0,0|2,0,0]=3 1936 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,0,0,1,0,0|2,0,0]=3 1937 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,0,0,1,0,0|2,0,0]=3 1938 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,0,0,1,0,0|2,0,0]=3 1939 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,0,0,1,0,0|2,0,0]=3 1940 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,0,0,1,0,0|1,0,0]=2 1941 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,0,0,1,0,0|1,0,0]=2 1942 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,0,0,1,0,0|1,0,0]=2 1943 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,0,0,1,0,0|1,0,0]=2 1944 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,0,0,1,0,0|1,0,0]=2 1945 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,0,0,1,0,0|1,0,0]=2 1946 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,0,0,1,0,0|1,0,0]=2 1947 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,0,0,1,0,0|1,0,0]=2 1948 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,0,0,1,0,0|1,0,0]=2 1949 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,0,0,1,0,0|1,0,0]=2 1950 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,0,0,1,0,0|1,0,0]=2 1951 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,0,0,1,0,0|1,0,0]=2 1952 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,0,0,1,0,0|1,0,0]=2 1953 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,0,0,1,0,0|0,0,0]=1 1954 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,0,0,1,0,0|0,0,0]=1 1955 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,0,0,1,0,0|0,0,0]=1 1956 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,0,0,1,0,0|1,0,0]=2 1957 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,0,0,1,0,0|1,0,0]=2 1958 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,0,0,1,0,0|1,0,0]=2 1959 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,0,0,1,0,0|1,0,0]=2 1960 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,0,0,1,0,0|2,0,0]=3 1961 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [0,0,0,1,0,0|2,0,0]=3 1962 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [0,0,0,1,0,0|3,0,0]=4 1963 B8R1.34 N=C(N)CC1CCC1 MCULE-7694021103 [0,0,0,1,0,0|3,0,0]=4 1964 B8R1.34 NC(=O)CC1CNC1 MCULE-3085452095 [0,0,0,1,0,0|3,0,0]=4 1965 B8R1.34 NC(=O)CC1CNC1 MCULE-7868797282 [0,0,0,1,0,0|3,0,0]=4 1966 B8R1.34 NC(=O)NC1CCC1 MCULE-4153424610 [0,0,0,1,0,0|3,0,0]=4 1967 B8R1.34 NC(=S)CC1CCC1 MCULE-7458307170 [0,0,0,1,0,0|2,1,0]=4 1968 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [0,0,0,1,0,0|2,0,0]=3 1969 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [0,0,0,1,0,0|1,0,2]=4 1970 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,0,0,1,0,0|1,0,0]=2 1971 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,0,0,1,0,0|1,0,0]=2 1972 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,0,0,1,0,0|0,0,0]=1 1973 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,0,0,1,0,0|2,0,0]=3 1974 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,0,0,1,0,0|2,0,0]=3 1975 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,0,0,1,0,0|2,0,0]=3 1976 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,0,0,1,0,0|2,0,0]=3 1977 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,0,0,1,0,0|2,0,0]=3 1978 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,0,0,1,0,0|2,0,0]=3 1979 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,0,0,1,0,0|2,0,0]=3 1980 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [0,0,0,1,0,0|2,0,1]=4 1981 B8R1.35 CC(=O)CCC1CC1 MCULE-1674877061 [0,0,0,1,0,0|2,0,0]=3 1982 B8R1.35 CC(=O)NCC1CC1 MCULE-1770864212 [0,0,0,1,0,0|3,0,0]=4 1983 B8R1.35 CC(=O)NCC1CO1 MCULE-8864606081 [0,0,0,1,0,0|2,0,0]=3 1984 B8R1.35 CC(C)CCC1CO1 MCULE-8370319949 [0,0,0,1,0,0|2,0,1]=4 1985 B8R1.35 NC(=O)CNC1CC1 MCULE-1569675703 [0,0,0,1,0,0|3,0,0]=4 1986 B8R1.35 NC(=O)CNC1CC1 MCULE-2912062351 [0,0,0,1,0,0|3,0,0]=4 1987 B8R1.35 NC(=O)NCC1CC1 MCULE-9526171923 [0,0,0,1,0,0|3,0,0]=4 1988 B8R1.35 O=C(Cl)OCC1CC1 MCULE-5850240668 [0,0,0,1,0,0|3,0,0]=4 1989 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [0,0,0,1,0,0|1,0,2]=4 1990 B8R1.35 O=C(O)C#CC1CC1 MCULE-8494271998 [0,0,0,1,0,0|1,0,2]=4 1991 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [0,0,0,1,0,0|1,0,2]=4 1992 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,0,0,1,0,0|1,0,0]=2 1993 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,0,0,1,0,0|0,0,0]=1 1994 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [0,0,0,1,0,0|2,0,0]=3 1995 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,0,0,1,0,0|2,0,0]=3 1996 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,0,0,1,0,0|2,0,0]=3 1997 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,0,0,1,0,0|2,0,0]=3 1998 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,0,0,1,0,0|2,0,0]=3 1999 B8R1.35 O=N(=O)CCC1CC1 MCULE-7393596142 [0,0,0,1,0,0|2,0,1]=4 2000 B8R1.35 O=N(=O)OCC1CO1 MCULE-8843628447 [0,0,0,1,0,0|2,0,1]=4 2001 B8R1.36 CCCCCC1CO1 MCULE-2249864409 [0,0,0,1,0,0|2,0,1]=4 2002 B8R1.36 OCCCCC1CC1 MCULE-6334640431 [0,0,0,1,0,0|2,0,1]=4 2003 B8R1.36 OCCCCC1CO1 MCULE-4018278864 [0,0,0,1,0,0|1,0,1]=3 2004 B8R1.36 OCCOCC1CO1 MCULE-2516554733 [0,0,0,1,0,0|2,0,1]=4 2005 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [0,0,0,1,0,0|1,0,1]=3 2006 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [0,0,0,1,0,0|1,0,1]=3 2007 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [0,0,0,1,0,0|1,0,1]=3 2008 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [0,0,0,1,0,0|1,0,1]=3 2009 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [0,0,0,1,0,0|1,0,1]=3 2010 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,0,0,1,0,0|1,0,1]=3 2011 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,0,0,1,0,0|1,0,1]=3 2012 B8R1.43 CC(C)C1CC1CO MCULE-2405752880 [0,0,0,1,0,0|2,0,1]=4 2013 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,0,0,1,0,0|1,0,0]=2 2014 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,0,0,1,0,0|1,0,0]=2 2015 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,0,0,1,0,0|2,0,0]=3 2016 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [0,0,0,1,0,0|1,0,1]=3 2017 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [0,0,0,1,0,0|1,0,1]=3 2018 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [0,0,0,1,0,0|1,0,1]=3 2019 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [0,0,0,1,0,0|1,0,1]=3 2020 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [0,0,0,1,0,0|1,0,1]=3 2021 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,0,0,1,0,0|1,0,0]=2 2022 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,0,0,1,0,0|1,0,0]=2 2023 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,0,0,1,0,0|1,0,0]=2 2024 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,0,0,1,0,0|1,0,0]=2 2025 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,0,0,1,0,0|1,0,0]=2 2026 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,0,0,1,0,0|1,0,0]=2 2027 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,0,0,1,0,0|0,0,0]=1 2028 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,0,0,1,0,0|1,0,0]=2 2029 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,0,0,1,0,0|0,0,0]=1 2030 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,0,0,1,0,0|0,0,0]=1 2031 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [0,0,0,1,0,0|1,0,1]=3 2032 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [0,0,0,1,0,0|1,0,1]=3 2033 B8R1.48 CC1(CCC1CO)C MCULE-4983182049 [0,0,0,1,0,0|2,0,1]=4 2034 B8R1.48 NCC1CCS1(=O)=O MCULE-7456939034 [0,0,0,1,0,0|2,0,1]=4 2035 B8R1.48 NCC1CCS1(=O)=O MCULE-7842168331 [0,0,0,1,0,0|2,0,1]=4 2036 B8R1.48 O=S1(=O)CCC1CO MCULE-2804079934 [0,0,0,1,0,0|1,0,1]=3 2037 B8R1.48 OCC1CCC1(F)F MCULE-3131437190 [0,0,0,1,0,0|2,0,1]=4 2038 B8R1.72 CC1(CCCCC1)O MCULE-9091358177 [0,0,0,1,0,0|2,0,1]=4 2039 B8R1.72 C[Si]1(CCCCO1)C MCULE-8051030048 [0,0,0,1,0,0|2,1,0]=4 2040 B8R1.72 N=S1(=O)CCCCC1 MCULE-8920208485 [0,0,0,1,0,0|3,0,0]=4 2041 B8R1.72 O=S1(=O)CCCCN1 MCULE-6296400181 [0,0,0,1,0,0|2,0,1]=4 2042 B8R1.72 O=S1(=O)CCCCO1 MCULE-8722166220 [0,0,0,1,0,0|1,0,1]=3 2043 B8R1.72 O=S1(=O)OCCCO1 MCULE-8391650877 [0,0,0,1,0,0|2,0,1]=4 2044 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|0,0,2]=4 2045 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|0,0,2]=4 2046 B5R0.1 C=C(Br)CCO MCULE-3743908958 [2,0,0,0,0,0|2,0,0]=4 2047 B5R0.1 C=C(C)CCC MCULE-8225129744 [2,0,0,0,0,0|2,0,0]=4 2048 B5R0.1 C=C(C)CCO MCULE-2689800711 [2,0,0,0,0,0|2,0,0]=4 2049 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|0,0,2]=4 2050 B5R0.1 CC#CC(=O)O MCULE-9994142213 [2,0,0,0,0,0|0,0,2]=4 2051 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|2,0,0]=4 2052 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|2,0,0]=4 2053 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|2,0,0]=4 2054 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|2,0,0]=4 2055 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|1,0,0]=3 2056 B5R0.1 CC(=O)NCO MCULE-4563335540 [2,0,0,0,0,0|2,0,0]=4 2057 B5R0.1 CC(O)CCO MCULE-1694239851 [2,0,0,0,0,0|1,0,1]=4 2058 B5R0.1 CC(O)CCO MCULE-7784884948 [2,0,0,0,0,0|1,0,1]=4 2059 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|0,0,2]=4 2060 B5R0.1 CCCB(O)O MCULE-4994980798 [2,0,0,0,0,0|1,0,1]=4 2061 B5R0.1 CCCC(=N)N MCULE-5974105638 [2,0,0,0,0,0|2,0,0]=4 2062 B5R0.1 CCCC(=N)N MCULE-9230704591 [2,0,0,0,0,0|2,0,0]=4 2063 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|1,0,0]=3 2064 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|1,0,0]=3 2065 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|1,0,0]=3 2066 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|0,0,0]=2 2067 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|0,0,1]=3 2068 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|0,0,1]=3 2069 B5R0.1 CCCC(=S)N MCULE-3529335988 [2,0,0,0,0,0|1,1,0]=4 2070 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|0,1,0]=3 2071 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|1,0,1]=4 2072 B5R0.1 CCCC(O)Cl MCULE-3188577082 [2,0,0,0,0,0|1,0,1]=4 2073 B5R0.1 CCCN(=O)=O MCULE-5615753372 [2,0,0,0,0,0|1,0,1]=4 2074 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [2,0,0,0,0,0|1,0,1]=4 2075 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [2,0,0,0,0,0|1,0,1]=4 2076 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|1,0,1]=4 2077 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|1,0,1]=4 2078 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|2,0,0]=4 2079 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|2,0,0]=4 2080 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|2,0,0]=4 2081 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|2,0,0]=4 2082 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [2,0,0,0,0,0|2,0,0]=4 2083 B5R0.1 CCOC(=O)N MCULE-1776877276 [2,0,0,0,0,0|2,0,0]=4 2084 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|2,0,0]=4 2085 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|2,0,0]=4 2086 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|2,0,0]=4 2087 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|2,0,0]=4 2088 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|2,0,0]=4 2089 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|2,0,0]=4 2090 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|1,0,0]=3 2091 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|1,0,0]=3 2092 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [2,0,0,0,0,0|1,0,1]=4 2093 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|2,0,0]=4 2094 B5R0.1 COCC(=O)Cl MCULE-5449267495 [2,0,0,0,0,0|2,0,0]=4 2095 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|2,0,0]=4 2096 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|1,0,0]=3 2097 B5R0.1 CS(=O)CCO MCULE-8331553582 [2,0,0,0,0,0|2,0,0]=4 2098 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|2,0,0]=4 2099 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [2,0,0,0,0,0|2,0,0]=4 2100 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|2,0,0]=4 2101 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,0]=3 2102 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [2,0,0,0,0,0|1,0,1]=4 2103 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [2,0,0,0,0,0|1,0,1]=4 2104 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [2,0,0,0,0,0|1,0,1]=4 2105 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [2,0,0,0,0,0|1,0,1]=4 2106 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [2,0,0,0,0,0|2,0,0]=4 2107 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|1,0,1]=4 2108 B5R0.1 N=C(N)CCO MCULE-4567824707 [2,0,0,0,0,0|2,0,0]=4 2109 B5R0.1 N=C(N)CCO MCULE-7139693715 [2,0,0,0,0,0|2,0,0]=4 2110 B5R0.1 NC(=O)CCBr MCULE-3930714776 [2,0,0,0,0,0|2,0,0]=4 2111 B5R0.1 NC(=O)CCCl MCULE-8300320959 [2,0,0,0,0,0|2,0,0]=4 2112 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|1,0,0]=3 2113 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|1,1,0]=4 2114 B5R0.1 NC(=O)NCO MCULE-7403641101 [2,0,0,0,0,0|2,0,0]=4 2115 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|2,0,0]=4 2116 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|2,0,0]=4 2117 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|2,0,0]=4 2118 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|1,0,0]=3 2119 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|1,0,0]=3 2120 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|1,0,0]=3 2121 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|1,0,1]=4 2122 B5R0.1 NCCP(=O)O MCULE-7093964616 [2,0,0,0,0,0|2,0,0]=4 2123 B5R0.1 NCCS(=O)O MCULE-4372248641 [2,0,0,0,0,0|2,0,0]=4 2124 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|2,0,0]=4 2125 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|2,0,0]=4 2126 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|2,0,0]=4 2127 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|2,0,0]=4 2128 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|2,0,0]=4 2129 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [2,0,0,0,0,0|2,0,0]=4 2130 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [2,0,0,0,0,0|2,0,0]=4 2131 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [2,0,0,0,0,0|2,0,0]=4 2132 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [2,0,0,0,0,0|1,0,1]=4 2133 B5R0.1 O=C(O)C=NO MCULE-2039309679 [2,0,0,0,0,0|1,0,1]=4 2134 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,0]=3 2135 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,0]=3 2136 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,0]=3 2137 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,0]=3 2138 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|0,0,0]=2 2139 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|0,1,0]=3 2140 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|1,0,0]=3 2141 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|0,0,1]=3 2142 B5R0.1 O=N(=O)CCO MCULE-2060841405 [2,0,0,0,0,0|1,0,1]=4 2143 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|1,0,1]=4 2144 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|1,0,1]=4 2145 B5R0.2 BrCCCCBr MCULE-5088378536 [2,0,0,0,0,0|2,0,0]=4 2146 B5R0.2 C#CCCC=O MCULE-9994552907 [2,0,0,0,0,0|0,0,2]=4 2147 B5R0.2 C#CCCCC MCULE-5706969297 [2,0,0,0,0,0|1,0,1]=4 2148 B5R0.2 C#CCCCO MCULE-6360852809 [2,0,0,0,0,0|0,0,2]=4 2149 B5R0.2 C/C=C/CCC MCULE-9851656818 [2,0,0,0,0,0|1,0,1]=4 2150 B5R0.2 C/C=C/CCO MCULE-3952855392 [2,0,0,0,0,0|1,0,1]=4 2151 B5R0.2 C/C=C\CCC MCULE-1013657748 [2,0,0,0,0,0|1,0,1]=4 2152 B5R0.2 C=C=CCCO MCULE-1054355649 [2,0,0,0,0,0|0,0,2]=4 2153 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|0,0,2]=4 2154 B5R0.2 C=CCCCBr MCULE-5027518679 [2,0,0,0,0,0|1,0,1]=4 2155 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|1,0,0]=3 2156 B5R0.2 C=CCCCCl MCULE-3877430809 [2,0,0,0,0,0|1,0,1]=4 2157 B5R0.2 C=CCCCI MCULE-8692831514 [2,0,0,0,0,0|1,0,1]=4 2158 B5R0.2 C=CCCCN MCULE-5787926547 [2,0,0,0,0,0|1,0,1]=4 2159 B5R0.2 C=CCCCN MCULE-7346989227 [2,0,0,0,0,0|1,0,1]=4 2160 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|0,0,1]=3 2161 B5R0.2 C=CCCNC MCULE-2124263362 [2,0,0,0,0,0|2,0,0]=4 2162 B5R0.2 C=CCCNC MCULE-5024925990 [2,0,0,0,0,0|2,0,0]=4 2163 B5R0.2 C=CCCOC MCULE-4681354270 [2,0,0,0,0,0|2,0,0]=4 2164 B5R0.2 C=CCNCC MCULE-6987567673 [2,0,0,0,0,0|2,0,0]=4 2165 B5R0.2 C=CCNCC MCULE-8318544337 [2,0,0,0,0,0|2,0,0]=4 2166 B5R0.2 C=CCOCC MCULE-4363356618 [2,0,0,0,0,0|2,0,0]=4 2167 B5R0.2 C=CCSCC MCULE-3816911529 [2,0,0,0,0,0|2,0,0]=4 2168 B5R0.2 C=COCCC MCULE-4423853666 [2,0,0,0,0,0|2,0,0]=4 2169 B5R0.2 C=COCCO MCULE-9383372818 [2,0,0,0,0,0|1,0,1]=4 2170 B5R0.2 CC#CCC=O MCULE-6071390808 [2,0,0,0,0,0|0,0,2]=4 2171 B5R0.2 CC/C=C/C=O MCULE-5102906061 [2,0,0,0,0,0|0,0,2]=4 2172 B5R0.2 CC=CCCC MCULE-8736231124 [2,0,0,0,0,0|1,0,1]=4 2173 B5R0.2 CC=CCCO MCULE-4302367089 [2,0,0,0,0,0|1,0,1]=4 2174 B5R0.2 CCC#CC=O MCULE-3889262436 [2,0,0,0,0,0|0,0,2]=4 2175 B5R0.2 CCC=CC=O MCULE-1318250395 [2,0,0,0,0,0|0,0,2]=4 2176 B5R0.2 CCCC=NO MCULE-7364375780 [2,0,0,0,0,0|1,0,1]=4 2177 B5R0.2 CCCCC#N MCULE-4015236167 [2,0,0,0,0,0|1,0,1]=4 2178 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|0,0,0]=2 2179 B5R0.2 CCCCCBr MCULE-8513521912 [2,0,0,0,0,0|1,0,1]=4 2180 B5R0.2 CCCCCC MCULE-3465692202 [2,0,0,0,0,0|1,0,1]=4 2181 B5R0.2 CCCCCCl MCULE-4412759460 [2,0,0,0,0,0|1,0,1]=4 2182 B5R0.2 CCCCCF MCULE-6399883281 [2,0,0,0,0,0|1,0,1]=4 2183 B5R0.2 CCCCCI MCULE-4590300793 [2,0,0,0,0,0|1,0,1]=4 2184 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|1,0,1]=4 2185 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|1,0,1]=4 2186 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|1,0,1]=4 2187 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|1,0,1]=4 2188 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|0,0,1]=3 2189 B5R0.2 CCCCCS MCULE-5476379340 [2,0,0,0,0,0|0,1,1]=4 2190 B5R0.2 CCCCNC MCULE-9321610906 [2,0,0,0,0,0|2,0,0]=4 2191 B5R0.2 CCCCNN MCULE-6681305566 [2,0,0,0,0,0|2,0,0]=4 2192 B5R0.2 CCCCNN MCULE-6890760890 [2,0,0,0,0,0|2,0,0]=4 2193 B5R0.2 CCCCNN MCULE-7362497327 [2,0,0,0,0,0|2,0,0]=4 2194 B5R0.2 CCCCNN MCULE-8463623644 [2,0,0,0,0,0|2,0,0]=4 2195 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|1,0,0]=3 2196 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|1,0,0]=3 2197 B5R0.2 CCCCOC MCULE-9814272675 [2,0,0,0,0,0|2,0,0]=4 2198 B5R0.2 CCCCON MCULE-7582349983 [2,0,0,0,0,0|2,0,0]=4 2199 B5R0.2 CCCCON MCULE-8175627798 [2,0,0,0,0,0|2,0,0]=4 2200 B5R0.2 CCCCSC MCULE-2799775567 [2,0,0,0,0,0|2,0,0]=4 2201 B5R0.2 CCCN=C=O MCULE-9014468293 [2,0,0,0,0,0|1,0,1]=4 2202 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|1,0,0]=3 2203 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|1,0,0]=3 2204 B5R0.2 CCNCCO MCULE-2537734730 [2,0,0,0,0,0|1,0,1]=4 2205 B5R0.2 CCNCCO MCULE-3738714907 [2,0,0,0,0,0|1,0,1]=4 2206 B5R0.2 CCOCCO MCULE-4311513289 [2,0,0,0,0,0|1,0,1]=4 2207 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|1,0,0]=3 2208 B5R0.2 CCSCCO MCULE-3557086162 [2,0,0,0,0,0|1,0,1]=4 2209 B5R0.2 CNCCCO MCULE-9530478547 [2,0,0,0,0,0|1,0,1]=4 2210 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|1,0,0]=3 2211 B5R0.2 COCCCO MCULE-4041418048 [2,0,0,0,0,0|1,0,1]=4 2212 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|1,0,0]=3 2213 B5R0.2 CSCCCO MCULE-9232413185 [2,0,0,0,0,0|1,0,1]=4 2214 B5R0.2 ClCCCCBr MCULE-7973194927 [2,0,0,0,0,0|2,0,0]=4 2215 B5R0.2 ClCCCCCl MCULE-4863501782 [2,0,0,0,0,0|2,0,0]=4 2216 B5R0.2 ClCCCCI MCULE-4303507089 [2,0,0,0,0,0|2,0,0]=4 2217 B5R0.2 FCCCCBr MCULE-8408956872 [2,0,0,0,0,0|2,0,0]=4 2218 B5R0.2 FCCCCF MCULE-1347438150 [2,0,0,0,0,0|2,0,0]=4 2219 B5R0.2 ICCCCI MCULE-1390457250 [2,0,0,0,0,0|2,0,0]=4 2220 B5R0.2 N#CCCC=O MCULE-9521735106 [2,0,0,0,0,0|1,0,1]=4 2221 B5R0.2 N#CCCCO MCULE-2108386837 [2,0,0,0,0,0|1,0,1]=4 2222 B5R0.2 NCCCCBr MCULE-7095299053 [2,0,0,0,0,0|2,0,0]=4 2223 B5R0.2 NCCCCBr MCULE-7716027825 [2,0,0,0,0,0|2,0,0]=4 2224 B5R0.2 NCCCCCl MCULE-8484381726 [2,0,0,0,0,0|2,0,0]=4 2225 B5R0.2 NCCCCCl MCULE-9917306082 [2,0,0,0,0,0|2,0,0]=4 2226 B5R0.2 NCCCCF MCULE-4260727945 [2,0,0,0,0,0|2,0,0]=4 2227 B5R0.2 NCCCCF MCULE-7716720921 [2,0,0,0,0,0|2,0,0]=4 2228 B5R0.2 NCCCCN MCULE-3098044935 [2,0,0,0,0,0|2,0,0]=4 2229 B5R0.2 NCCCCN MCULE-7898833229 [2,0,0,0,0,0|2,0,0]=4 2230 B5R0.2 NCCCCN MCULE-8029479697 [2,0,0,0,0,0|2,0,0]=4 2231 B5R0.2 NCCCCN MCULE-8509656776 [2,0,0,0,0,0|2,0,0]=4 2232 B5R0.2 NCCCCO MCULE-7395674091 [2,0,0,0,0,0|1,0,0]=3 2233 B5R0.2 NCCCCS MCULE-4353910418 [2,0,0,0,0,0|1,1,0]=4 2234 B5R0.2 NCCCCS MCULE-9812416858 [2,0,0,0,0,0|1,1,0]=4 2235 B5R0.2 NNCCCO MCULE-5557482626 [2,0,0,0,0,0|2,0,0]=4 2236 B5R0.2 NNCCCO MCULE-7351853032 [2,0,0,0,0,0|2,0,0]=4 2237 B5R0.2 NNCCCO MCULE-7919314403 [2,0,0,0,0,0|2,0,0]=4 2238 B5R0.2 NOCCCO MCULE-1072312935 [2,0,0,0,0,0|2,0,0]=4 2239 B5R0.2 NOCCCO MCULE-3715520109 [2,0,0,0,0,0|2,0,0]=4 2240 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|0,0,2]=4 2241 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|0,0,2]=4 2242 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|1,0,0]=3 2243 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|1,0,0]=3 2244 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|1,0,0]=3 2245 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|0,0,0]=2 2246 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|1,0,0]=3 2247 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|1,0,0]=3 2248 B5R0.2 OC/C=C/CO MCULE-4752272005 [2,0,0,0,0,0|0,0,2]=4 2249 B5R0.2 OC/C=C\CO MCULE-2695577582 [2,0,0,0,0,0|0,0,2]=4 2250 B5R0.2 OC=CCCBr MCULE-3964604828 [2,0,0,0,0,0|1,0,1]=4 2251 B5R0.2 OC=CCCBr MCULE-5728835735 [2,0,0,0,0,0|1,0,1]=4 2252 B5R0.2 OCC#CCO MCULE-2650636766 [2,0,0,0,0,0|0,0,2]=4 2253 B5R0.2 OCC=CCO MCULE-9559211408 [2,0,0,0,0,0|0,0,2]=4 2254 B5R0.2 OCCCCBr MCULE-9231591925 [2,0,0,0,0,0|1,0,0]=3 2255 B5R0.2 OCCCCCl MCULE-3507644812 [2,0,0,0,0,0|1,0,0]=3 2256 B5R0.2 OCCCCF MCULE-9242285588 [2,0,0,0,0,0|1,0,0]=3 2257 B5R0.2 OCCCCI MCULE-8723720522 [2,0,0,0,0,0|1,0,0]=3 2258 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|0,0,0]=2 2259 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|0,0,0]=2 2260 B5R0.2 OCCCCS MCULE-8169490949 [2,0,0,0,0,0|0,1,0]=3 2261 B5R0.2 OCCNCO MCULE-2141033453 [2,0,0,0,0,0|1,0,0]=3 2262 B5R0.2 SCCCCS MCULE-6695609899 [2,0,0,0,0,0|0,2,0]=4 2263 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [1,1,0,0,0,0|0,0,2]=4 2264 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,1,0,0,0,0|1,0,0]=3 2265 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [1,1,0,0,0,0|2,0,0]=4 2266 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [1,1,0,0,0,0|2,0,0]=4 2267 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,1,0,0,0,0|0,0,2]=4 2268 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [1,1,0,0,0,0|0,0,2]=4 2269 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [1,1,0,0,0,0|0,0,2]=4 2270 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,1,0,0,0,0|0,0,2]=4 2271 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [1,1,0,0,0,0|2,0,0]=4 2272 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [1,1,0,0,0,0|2,0,0]=4 2273 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [1,1,0,0,0,0|2,0,0]=4 2274 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [1,1,0,0,0,0|2,0,0]=4 2275 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [1,1,0,0,0,0|2,0,0]=4 2276 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [1,1,0,0,0,0|2,0,0]=4 2277 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [1,1,0,0,0,0|1,0,0]=3 2278 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [1,1,0,0,0,0|1,0,0]=3 2279 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [1,1,0,0,0,0|0,0,2]=4 2280 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [1,1,0,0,0,0|1,0,1]=4 2281 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,1,0,0,0,0|0,0,1]=3 2282 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [1,1,0,0,0,0|1,0,1]=4 2283 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [1,1,0,0,0,0|2,0,0]=4 2284 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [1,1,0,0,0,0|2,0,0]=4 2285 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [1,1,0,0,0,0|1,0,0]=3 2286 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [1,1,0,0,0,0|1,0,0]=3 2287 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [1,1,0,0,0,0|0,0,0]=2 2288 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [1,1,0,0,0,0|0,0,0]=2 2289 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [1,1,0,0,0,0|2,0,0]=4 2290 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [1,1,0,0,0,0|2,0,0]=4 2291 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [1,1,0,0,0,0|2,0,0]=4 2292 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [1,1,0,0,0,0|2,0,0]=4 2293 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,1,0,0,0,0|0,0,0]=2 2294 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,1,0,0,0,0|0,0,0]=2 2295 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [1,1,0,0,0,0|1,0,1]=4 2296 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [1,1,0,0,0,0|1,0,0]=3 2297 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,1,0,0,0,0|0,0,0]=2 2298 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [1,1,0,0,0,0|1,0,1]=4 2299 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [1,1,0,0,0,0|1,0,1]=4 2300 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [1,1,0,0,0,0|2,0,0]=4 2301 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [1,1,0,0,0,0|2,0,0]=4 2302 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [1,1,0,0,0,0|1,0,0]=3 2303 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [1,1,0,0,0,0|1,0,0]=3 2304 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [1,1,0,0,0,0|0,0,0]=2 2305 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [1,1,0,0,0,0|0,0,0]=2 2306 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,1,0,0,0,0|0,0,0]=2 2307 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,1,0,0,0,0|0,0,0]=2 2308 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,1,0,0,0,0|0,0,0]=2 2309 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,1,0,0,0,0|0,0,0]=2 2310 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [1,1,0,0,0,0|0,0,0]=2 2311 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [1,1,0,0,0,0|0,0,0]=2 2312 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,1,0,0,0,0|0,0,0]=2 2313 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,1,0,0,0,0|0,0,0]=2 2314 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,1,0,0,0,0|0,0,0]=2 2315 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,1,0,0,0,0|0,0,0]=2 2316 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [1,1,0,0,0,0|1,0,1]=4 2317 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [1,1,0,0,0,0|2,0,0]=4 2318 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [1,1,0,0,0,0|2,0,0]=4 2319 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [1,1,0,0,0,0|1,0,0]=3 2320 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [1,1,0,0,0,0|1,0,0]=3 2321 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [1,1,0,0,0,0|1,0,1]=4 2322 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [1,1,0,0,0,0|1,0,0]=3 2323 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [1,1,0,0,0,0|1,0,0]=3 2324 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [1,1,0,0,0,0|1,0,0]=3 2325 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [1,1,0,0,0,0|1,0,0]=3 2326 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [1,1,0,0,0,0|1,0,1]=4 2327 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,1,0,0,0,0|0,0,0]=2 2328 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,1,0,0,0,0|0,0,0]=2 2329 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,1,0,0,0,0|0,0,0]=2 2330 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,1,0,0,0,0|1,0,0]=3 2331 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,1,0,0,0,0|1,0,0]=3 2332 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,1,0,0,0,0|1,0,0]=3 2333 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [1,1,0,0,0,0|2,0,0]=4 2334 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [1,1,0,0,0,0|2,0,0]=4 2335 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,1,0,0,0,0|1,0,0]=3 2336 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,1,0,0,0,0|1,0,0]=3 2337 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,1,0,0,0,0|1,0,0]=3 2338 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,1,0,0,0,0|1,0,0]=3 2339 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,1,0,0,0,0|1,0,0]=3 2340 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,1,0,0,0,0|1,0,0]=3 2341 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,1,0,0,0,0|1,0,0]=3 2342 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,1,0,0,0,0|1,0,0]=3 2343 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,1,0,0,0,0|0,0,0]=2 2344 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,1,0,0,0,0|0,0,0]=2 2345 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,1,0,0,0,0|0,0,0]=2 2346 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,1,0,0,0,0|0,0,0]=2 2347 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [1,1,0,0,0,0|1,0,1]=4 2348 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,1,0,0,0,0|0,0,1]=3 2349 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,1,0,0,0,0|0,0,0]=2 2350 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,1,0,0,0,0|0,0,0]=2 2351 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [1,1,0,0,0,0|0,0,1]=3 2352 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [1,1,0,0,0,0|0,0,1]=3 2353 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [1,1,0,0,0,0|2,0,0]=4 2354 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [1,1,0,0,0,0|0,0,1]=3 2355 B7R0.3 C#CC(O)CCCC MCULE-8547184224 [1,1,0,0,0,0|1,0,1]=4 2356 B7R0.3 C#CCCC(=O)OC MCULE-8778440511 [1,1,0,0,0,0|0,0,2]=4 2357 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [1,1,0,0,0,0|0,0,2]=4 2358 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,1,0,0,0,0|1,0,0]=3 2359 B7R0.3 C=C(CC)CCCC MCULE-5118701402 [1,1,0,0,0,0|2,0,0]=4 2360 B7R0.3 C=CC(=C)CCCO MCULE-3558306961 [1,1,0,0,0,0|2,0,0]=4 2361 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [1,1,0,0,0,0|2,0,0]=4 2362 B7R0.3 C=CC(=O)NCCC MCULE-5704500398 [1,1,0,0,0,0|2,0,0]=4 2363 B7R0.3 C=CC(=O)NCCO MCULE-2036150536 [1,1,0,0,0,0|2,0,0]=4 2364 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [1,1,0,0,0,0|2,0,0]=4 2365 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [1,1,0,0,0,0|2,0,0]=4 2366 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [1,1,0,0,0,0|1,0,1]=4 2367 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [1,1,0,0,0,0|0,0,2]=4 2368 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [1,1,0,0,0,0|0,0,2]=4 2369 B7R0.3 CC(CO)CCCO MCULE-8589885622 [1,1,0,0,0,0|1,0,1]=4 2370 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [1,1,0,0,0,0|0,0,2]=4 2371 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [1,1,0,0,0,0|0,0,2]=4 2372 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [1,1,0,0,0,0|2,0,0]=4 2373 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [1,1,0,0,0,0|2,0,0]=4 2374 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [1,1,0,0,0,0|2,0,0]=4 2375 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [1,1,0,0,0,0|2,0,0]=4 2376 B7R0.3 CCC(O)CCCO MCULE-1099760826 [1,1,0,0,0,0|1,0,1]=4 2377 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [1,1,0,0,0,0|0,0,2]=4 2378 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [1,1,0,0,0,0|1,0,0]=3 2379 B7R0.3 CCCCC(=N)OC MCULE-3917139857 [1,1,0,0,0,0|1,0,0]=3 2380 B7R0.3 CCCCC(=N)OC MCULE-8394549097 [1,1,0,0,0,0|1,0,0]=3 2381 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [1,1,0,0,0,0|1,0,0]=3 2382 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [1,1,0,0,0,0|1,0,0]=3 2383 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [1,1,0,0,0,0|1,0,0]=3 2384 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [1,1,0,0,0,0|1,0,0]=3 2385 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [1,1,0,0,0,0|1,0,0]=3 2386 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [1,1,0,0,0,0|1,0,0]=3 2387 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [1,1,0,0,0,0|0,0,0]=2 2388 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [1,1,0,0,0,0|1,0,1]=4 2389 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,1,0,0,0,0|1,0,1]=4 2390 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,1,0,0,0,0|1,0,1]=4 2391 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,1,0,0,0,0|1,0,1]=4 2392 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,1,0,0,0,0|1,0,1]=4 2393 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [1,1,0,0,0,0|1,0,1]=4 2394 B7R0.3 CCCCC(O)CC MCULE-3912386534 [1,1,0,0,0,0|1,0,1]=4 2395 B7R0.3 CCCCC(O)CN MCULE-1383380728 [1,1,0,0,0,0|1,0,1]=4 2396 B7R0.3 CCCCC(O)CO MCULE-6903923961 [1,1,0,0,0,0|0,0,2]=4 2397 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,1,0,0,0,0|1,0,1]=4 2398 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,1,0,0,0,0|1,0,1]=4 2399 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,1,0,0,0,0|1,0,1]=4 2400 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,1,0,0,0,0|1,0,1]=4 2401 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [1,1,0,0,0,0|1,0,1]=4 2402 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,1,0,0,0,0|1,0,1]=4 2403 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,1,0,0,0,0|1,0,1]=4 2404 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [1,1,0,0,0,0|2,0,0]=4 2405 B7R0.3 CCCNC(=O)CCl MCULE-3171078913 [1,1,0,0,0,0|2,0,0]=4 2406 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [1,1,0,0,0,0|2,0,0]=4 2407 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [1,1,0,0,0,0|2,0,0]=4 2408 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [1,1,0,0,0,0|2,0,0]=4 2409 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [1,1,0,0,0,0|2,0,0]=4 2410 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [1,1,0,0,0,0|2,0,0]=4 2411 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [1,1,0,0,0,0|2,0,0]=4 2412 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [1,1,0,0,0,0|2,0,0]=4 2413 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [1,1,0,0,0,0|2,0,0]=4 2414 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [1,1,0,0,0,0|1,1,0]=4 2415 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [1,1,0,0,0,0|1,0,0]=3 2416 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [1,1,0,0,0,0|2,0,0]=4 2417 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [1,1,0,0,0,0|1,0,0]=3 2418 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [1,1,0,0,0,0|1,0,0]=3 2419 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [1,1,0,0,0,0|2,0,0]=4 2420 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [1,1,0,0,0,0|2,0,0]=4 2421 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [1,1,0,0,0,0|2,0,0]=4 2422 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [1,1,0,0,0,0|1,0,0]=3 2423 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [1,1,0,0,0,0|2,0,0]=4 2424 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [1,1,0,0,0,0|1,0,0]=3 2425 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [1,1,0,0,0,0|2,0,0]=4 2426 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [1,1,0,0,0,0|2,0,0]=4 2427 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [1,1,0,0,0,0|2,0,0]=4 2428 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [1,1,0,0,0,0|1,0,0]=3 2429 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [1,1,0,0,0,0|2,0,0]=4 2430 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [1,1,0,0,0,0|2,0,0]=4 2431 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [1,1,0,0,0,0|2,0,0]=4 2432 B7R0.3 CNCC/C(=N/O)/N MCULE-5663392892 [1,1,0,0,0,0|2,0,0]=4 2433 B7R0.3 CNCC/C(=N/O)/N MCULE-9276854772 [1,1,0,0,0,0|2,0,0]=4 2434 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [1,1,0,0,0,0|2,0,0]=4 2435 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [1,1,0,0,0,0|2,0,0]=4 2436 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [1,1,0,0,0,0|1,0,0]=3 2437 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [1,1,0,0,0,0|1,0,0]=3 2438 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [1,1,0,0,0,0|2,0,0]=4 2439 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [1,1,0,0,0,0|2,0,0]=4 2440 B7R0.3 COC(=N)CCCCl MCULE-3704020642 [1,1,0,0,0,0|2,0,0]=4 2441 B7R0.3 COC(=N)CCCCl MCULE-6282500757 [1,1,0,0,0,0|2,0,0]=4 2442 B7R0.3 COC(=O)C#CCO MCULE-5683806193 [1,1,0,0,0,0|0,0,2]=4 2443 B7R0.3 COC(=O)CCC#N MCULE-3476013569 [1,1,0,0,0,0|1,0,1]=4 2444 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,1,0,0,0,0|0,0,2]=4 2445 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [1,1,0,0,0,0|1,0,0]=3 2446 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [1,1,0,0,0,0|1,0,0]=3 2447 B7R0.3 COC(=O)CCCI MCULE-6607823615 [1,1,0,0,0,0|1,0,0]=3 2448 B7R0.3 COC(=O)CCCN MCULE-2399653885 [1,1,0,0,0,0|1,0,0]=3 2449 B7R0.3 COC(=O)CCCN MCULE-7745643244 [1,1,0,0,0,0|1,0,0]=3 2450 B7R0.3 COC(=O)CCCO MCULE-6149839873 [1,1,0,0,0,0|0,0,0]=2 2451 B7R0.3 COC(=O)CCCS MCULE-6897052882 [1,1,0,0,0,0|0,1,0]=3 2452 B7R0.3 COC(=O)CCSC MCULE-8525618169 [1,1,0,0,0,0|1,0,0]=3 2453 B7R0.3 COC(=O)NCCN MCULE-4816806580 [1,1,0,0,0,0|2,0,0]=4 2454 B7R0.3 COC(=O)NCCN MCULE-9765640123 [1,1,0,0,0,0|2,0,0]=4 2455 B7R0.3 COC(=O)NCCO MCULE-7141835204 [1,1,0,0,0,0|1,0,0]=3 2456 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [1,1,0,0,0,0|2,0,0]=4 2457 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [1,1,0,0,0,0|2,0,0]=4 2458 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [1,1,0,0,0,0|2,0,0]=4 2459 B7R0.3 COCCC(=O)NN MCULE-6895114863 [1,1,0,0,0,0|2,0,0]=4 2460 B7R0.3 COCCC(=O)OC MCULE-5918489580 [1,1,0,0,0,0|1,0,0]=3 2461 B7R0.3 N=C(CCCBr)NO MCULE-4204101118 [1,1,0,0,0,0|2,0,0]=4 2462 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [1,1,0,0,0,0|2,0,0]=4 2463 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [1,1,0,0,0,0|2,0,0]=4 2464 B7R0.3 NNC(=O)CCCCl MCULE-9370062145 [1,1,0,0,0,0|2,0,0]=4 2465 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [1,1,0,0,0,0|1,0,0]=3 2466 B7R0.3 NNC(=O)OCCO MCULE-9375766063 [1,1,0,0,0,0|2,0,0]=4 2467 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [1,1,0,0,0,0|2,0,0]=4 2468 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [1,1,0,0,0,0|2,0,0]=4 2469 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [1,1,0,0,0,0|1,0,0]=3 2470 B7R0.3 OCCCC(O)CO MCULE-3529953491 [1,1,0,0,0,0|0,0,2]=4 2471 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [1,1,0,0,0,0|0,0,2]=4 2472 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [1,1,0,0,0,0|0,0,2]=4 2473 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [1,1,0,0,0,0|0,0,2]=4 2474 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [1,1,0,0,0,0|0,0,2]=4 2475 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [1,1,0,0,0,0|0,0,2]=4 2476 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [1,1,0,0,0,0|0,0,2]=4 2477 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,1,0,0,0,0|0,0,2]=4 2478 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [1,1,0,0,0,0|0,0,2]=4 2479 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [1,1,0,0,0,0|0,0,2]=4 2480 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [1,1,0,0,0,0|0,0,2]=4 2481 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [1,1,0,0,0,0|0,0,2]=4 2482 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [1,1,0,0,0,0|0,0,2]=4 2483 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [1,1,0,0,0,0|0,0,2]=4 2484 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [1,1,0,0,0,0|0,0,2]=4 2485 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [1,1,0,0,0,0|0,0,2]=4 2486 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,1,0,0,0,0|0,0,1]=3 2487 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,1,0,0,0,0|0,0,1]=3 2488 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [1,1,0,0,0,0|1,0,1]=4 2489 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,1,0,0,0,0|0,0,2]=4 2490 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,1,0,0,0,0|0,0,2]=4 2491 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,1,0,0,0,0|0,0,2]=4 2492 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,1,0,0,0,0|0,0,2]=4 2493 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,1,0,0,0,0|0,0,2]=4 2494 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,1,0,0,0,0|0,0,2]=4 2495 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,1,0,0,0,0|0,0,2]=4 2496 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,1,0,0,0,0|0,0,2]=4 2497 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,1,0,0,0,0|0,0,2]=4 2498 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,1,0,0,0,0|0,0,2]=4 2499 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,1,0,0,0,0|0,0,2]=4 2500 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,1,0,0,0,0|0,0,2]=4 2501 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,1,0,0,0,0|0,0,2]=4 2502 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,1,0,0,0,0|0,0,2]=4 2503 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,1,0,0,0,0|0,0,2]=4 2504 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,1,0,0,0,0|0,0,2]=4 2505 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [1,1,0,0,0,0|2,0,0]=4 2506 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [1,1,0,0,0,0|2,0,0]=4 2507 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,1,0,0,0,0|1,0,0]=3 2508 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [1,1,0,0,0,0|2,0,0]=4 2509 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,1,0,0,0,0|1,0,0]=3 2510 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [1,1,0,0,0,0|2,0,0]=4 2511 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [1,1,0,0,0,0|2,0,0]=4 2512 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,1,0,0,0,0|1,0,0]=3 2513 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,1,0,0,0,0|1,0,0]=3 2514 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,1,0,0,0,0|1,0,0]=3 2515 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,1,0,0,0,0|0,0,0]=2 2516 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,1,0,0,0,0|0,0,1]=3 2517 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,1,0,0,0,0|0,0,2]=4 2518 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,1,0,0,0,0|0,0,2]=4 2519 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,1,0,0,0,0|0,0,2]=4 2520 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,1,0,0,0,0|0,0,2]=4 2521 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [1,1,0,0,0,0|0,0,2]=4 2522 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [1,1,0,0,0,0|1,0,1]=4 2523 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [1,1,0,0,0,0|1,0,1]=4 2524 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,1,0,0,0,0|0,0,1]=3 2525 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [1,1,0,0,0,0|1,0,0]=3 2526 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,1,0,0,0,0|0,0,0]=2 2527 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,1,0,0,0,0|1,0,0]=3 2528 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,1,0,0,0,0|1,0,0]=3 2529 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,1,0,0,0,0|1,0,0]=3 2530 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,1,0,0,0,0|0,0,0]=2 2531 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [1,1,0,0,0,0|1,0,1]=4 2532 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,1,0,0,0,0|0,0,0]=2 2533 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,1,0,0,0,0|0,0,0]=2 2534 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,1,0,0,0,0|1,0,0]=3 2535 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,1,0,0,0,0|1,0,0]=3 2536 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,1,0,0,0,0|0,0,0]=2 2537 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,1,0,0,0,0|0,0,0]=2 2538 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,1,0,0,0,0|0,0,0]=2 2539 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,1,0,0,0,0|1,0,0]=3 2540 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,1,0,0,0,0|0,0,0]=2 2541 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,1,0,0,0,0|0,0,0]=2 2542 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [1,1,0,0,0,0|2,0,0]=4 2543 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,1,0,0,0,0|0,0,0]=2 2544 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,1,0,0,0,0|0,0,0]=2 2545 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,1,0,0,0,0|0,0,0]=2 2546 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,1,0,0,0,0|0,0,0]=2 2547 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,1,0,0,0,0|1,0,0]=3 2548 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,1,0,0,0,0|1,0,0]=3 2549 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,1,0,0,0,0|1,0,0]=3 2550 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,1,0,0,0,0|1,0,0]=3 2551 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,1,0,0,0,0|0,0,0]=2 2552 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,1,0,0,0,0|0,0,0]=2 2553 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,1,0,0,0,0|0,0,0]=2 2554 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,1,0,0,0,0|0,0,0]=2 2555 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,1,0,0,0,0|0,0,0]=2 2556 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [1,1,0,0,0,0|1,0,1]=4 2557 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [1,1,0,0,0,0|2,0,0]=4 2558 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [1,1,0,0,0,0|2,0,0]=4 2559 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,1,0,0,0,0|1,0,0]=3 2560 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,1,0,0,0,0|1,0,0]=3 2561 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,1,0,0,0,0|1,0,0]=3 2562 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [1,1,0,0,0,0|1,0,1]=4 2563 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,1,0,0,0,0|1,0,0]=3 2564 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,1,0,0,0,0|1,0,0]=3 2565 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,1,0,0,0,0|1,0,0]=3 2566 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,1,0,0,0,0|1,0,0]=3 2567 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,1,0,0,0,0|1,0,0]=3 2568 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,1,0,0,0,0|1,0,0]=3 2569 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,1,0,0,0,0|1,0,0]=3 2570 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,1,0,0,0,0|1,0,0]=3 2571 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,1,0,0,0,0|1,0,0]=3 2572 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,1,0,0,0,0|1,0,0]=3 2573 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,1,0,0,0,0|1,0,0]=3 2574 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [1,1,0,0,0,0|2,0,0]=4 2575 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,1,0,0,0,0|1,0,0]=3 2576 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,1,0,0,0,0|1,0,0]=3 2577 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [1,1,0,0,0,0|2,0,0]=4 2578 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [1,1,0,0,0,0|2,0,0]=4 2579 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,1,0,0,0,0|1,0,0]=3 2580 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,1,0,0,0,0|1,0,0]=3 2581 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,1,0,0,0,0|1,0,0]=3 2582 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,1,0,0,0,0|1,0,0]=3 2583 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,1,0,0,0,0|1,0,0]=3 2584 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,1,0,0,0,0|1,0,0]=3 2585 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,1,0,0,0,0|1,0,0]=3 2586 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,1,0,0,0,0|1,0,0]=3 2587 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,1,0,0,0,0|1,0,0]=3 2588 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,1,0,0,0,0|1,0,0]=3 2589 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,1,0,0,0,0|1,0,0]=3 2590 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,1,0,0,0,0|1,0,0]=3 2591 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,1,0,0,0,0|1,0,0]=3 2592 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,1,0,0,0,0|1,0,0]=3 2593 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,1,0,0,0,0|1,0,0]=3 2594 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,1,0,0,0,0|1,0,0]=3 2595 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,1,0,0,0,0|1,0,0]=3 2596 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,1,0,0,0,0|0,1,0]=3 2597 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,1,0,0,0,0|1,0,0]=3 2598 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,1,0,0,0,0|1,0,0]=3 2599 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,1,0,0,0,0|1,0,0]=3 2600 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,1,0,0,0,0|1,0,0]=3 2601 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,1,0,0,0,0|1,0,0]=3 2602 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,1,0,0,0,0|1,0,0]=3 2603 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [1,1,0,0,0,0|1,0,1]=4 2604 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [1,1,0,0,0,0|1,0,1]=4 2605 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [1,1,0,0,0,0|1,0,1]=4 2606 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [1,1,0,0,0,0|2,0,0]=4 2607 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,1,0,0,0,0|1,0,0]=3 2608 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,1,0,0,0,0|1,0,0]=3 2609 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,1,0,0,0,0|1,0,0]=3 2610 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,1,0,0,0,0|1,0,0]=3 2611 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,1,0,0,0,0|0,0,0]=2 2612 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,1,0,0,0,0|0,0,0]=2 2613 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,1,0,0,0,0|0,1,0]=3 2614 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,1,0,0,0,0|0,1,0]=3 2615 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,1,0,0,0,0|1,0,0]=3 2616 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,1,0,0,0,0|1,0,0]=3 2617 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,1,0,0,0,0|1,0,0]=3 2618 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,1,0,0,0,0|1,0,0]=3 2619 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,1,0,0,0,0|1,0,0]=3 2620 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,1,0,0,0,0|1,0,0]=3 2621 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,1,0,0,0,0|1,0,0]=3 2622 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,1,0,0,0,0|1,0,0]=3 2623 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,1,0,0,0,0|1,0,0]=3 2624 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,1,0,0,0,0|1,0,0]=3 2625 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,1,0,0,0,0|1,0,0]=3 2626 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,1,0,0,0,0|1,0,0]=3 2627 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,1,0,0,0,0|1,0,0]=3 2628 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,1,0,0,0,0|1,0,0]=3 2629 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,1,0,0,0,0|1,0,0]=3 2630 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,1,0,0,0,0|1,0,0]=3 2631 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,1,0,0,0,0|1,0,0]=3 2632 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,1,0,0,0,0|1,0,0]=3 2633 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,1,0,0,0,0|1,0,0]=3 2634 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,1,0,0,0,0|1,0,0]=3 2635 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,1,0,0,0,0|1,0,0]=3 2636 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,1,0,0,0,0|1,0,0]=3 2637 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,1,0,0,0,0|1,0,0]=3 2638 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,1,0,0,0,0|1,0,0]=3 2639 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,1,0,0,0,0|1,0,0]=3 2640 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,1,0,0,0,0|1,0,0]=3 2641 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,1,0,0,0,0|1,0,0]=3 2642 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,1,0,0,0,0|1,0,0]=3 2643 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,1,0,0,0,0|2,0,0]=4 2644 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,1,0,0,0,0|1,0,0]=3 2645 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,1,0,0,0,0|1,0,0]=3 2646 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,1,0,0,0,0|1,0,0]=3 2647 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,1,0,0,0,0|1,0,0]=3 2648 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,1,0,0,0,0|0,0,0]=2 2649 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,1,0,0,0,0|0,0,0]=2 2650 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,1,0,0,0,0|0,1,0]=3 2651 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,1,0,0,0,0|0,1,0]=3 2652 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,1,0,0,0,0|1,1,0]=4 2653 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,1,0,0,0,0|1,0,0]=3 2654 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,1,0,0,0,0|1,0,0]=3 2655 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,1,0,0,0,0|0,0,0]=2 2656 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,1,0,0,0,0|0,0,0]=2 2657 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,1,0,0,0,0|0,1,0]=3 2658 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,1,0,0,0,0|0,1,0]=3 2659 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [1,1,0,0,0,0|2,0,0]=4 2660 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [1,1,0,0,0,0|2,0,0]=4 2661 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [1,1,0,0,0,0|2,0,0]=4 2662 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,1,0,0,0,0|1,0,0]=3 2663 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,1,0,0,0,0|0,0,0]=2 2664 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [1,1,0,0,0,0|0,0,2]=4 2665 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,1,0,0,0,0|0,0,2]=4 2666 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [1,1,0,0,0,0|1,0,1]=4 2667 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [1,1,0,0,0,0|1,0,1]=4 2668 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,1,0,0,0,0|0,0,1]=3 2669 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [1,1,0,0,0,0|2,0,0]=4 2670 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [1,1,0,0,0,0|2,0,0]=4 2671 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [1,1,0,0,0,0|2,0,0]=4 2672 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [1,1,0,0,0,0|2,0,0]=4 2673 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [1,1,0,0,0,0|1,0,1]=4 2674 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,1,0,0,0,0|0,0,2]=4 2675 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,1,0,0,0,0|0,0,2]=4 2676 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [1,1,0,0,0,0|1,0,1]=4 2677 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,1,0,0,0,0|1,0,1]=4 2678 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,1,0,0,0,0|0,0,1]=3 2679 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [1,1,0,0,0,0|0,0,2]=4 2680 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,1,0,0,0,0|1,0,0]=3 2681 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [1,1,0,0,0,0|2,0,0]=4 2682 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [1,1,0,0,0,0|2,0,0]=4 2683 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [1,1,0,0,0,0|2,0,0]=4 2684 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [1,1,0,0,0,0|2,0,0]=4 2685 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [1,1,0,0,0,0|2,0,0]=4 2686 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [1,1,0,0,0,0|2,0,0]=4 2687 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [1,1,0,0,0,0|2,0,0]=4 2688 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,1,0,0,0,0|1,0,1]=4 2689 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [1,1,0,0,0,0|2,0,0]=4 2690 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,1,0,0,0,0|1,0,1]=4 2691 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [1,1,0,0,0,0|2,0,0]=4 2692 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [1,1,0,0,0,0|2,0,0]=4 2693 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,1,0,0,0,0|1,0,1]=4 2694 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [1,1,0,0,0,0|1,0,1]=4 2695 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [1,1,0,0,0,0|0,0,2]=4 2696 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [1,1,0,0,0,0|0,0,2]=4 2697 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [1,1,0,0,0,0|0,0,2]=4 2698 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [1,1,0,0,0,0|1,0,1]=4 2699 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [1,1,0,0,0,0|2,0,0]=4 2700 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [1,1,0,0,0,0|2,0,0]=4 2701 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [1,1,0,0,0,0|1,0,0]=3 2702 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,1,0,0,0,0|1,0,0]=3 2703 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,1,0,0,0,0|0,0,0]=2 2704 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [1,1,0,0,0,0|1,1,0]=4 2705 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [1,1,0,0,0,0|1,0,1]=4 2706 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [1,1,0,0,0,0|1,0,1]=4 2707 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [1,1,0,0,0,0|2,0,0]=4 2708 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [1,1,0,0,0,0|2,0,0]=4 2709 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [1,1,0,0,0,0|2,0,0]=4 2710 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [1,1,0,0,0,0|2,0,0]=4 2711 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [1,1,0,0,0,0|2,0,0]=4 2712 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [1,1,0,0,0,0|2,0,0]=4 2713 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,1,0,0,0,0|1,0,0]=3 2714 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,1,0,0,0,0|1,0,0]=3 2715 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [1,1,0,0,0,0|2,0,0]=4 2716 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,1,0,0,0,0|1,0,0]=3 2717 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,1,0,0,0,0|1,0,0]=3 2718 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [1,1,0,0,0,0|1,0,0]=3 2719 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,1,0,0,0,0|0,0,0]=2 2720 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,1,0,0,0,0|0,0,0]=2 2721 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [1,1,0,0,0,0|2,0,0]=4 2722 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [1,1,0,0,0,0|2,0,0]=4 2723 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,1,0,0,0,0|0,0,0]=2 2724 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,1,0,0,0,0|0,0,1]=3 2725 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [1,1,0,0,0,0|1,0,1]=4 2726 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,1,0,0,0,0|0,0,0]=2 2727 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,1,0,0,0,0|1,0,0]=3 2728 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,1,0,0,0,0|1,0,0]=3 2729 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,1,0,0,0,0|1,0,0]=3 2730 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,1,0,0,0,0|0,0,0]=2 2731 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,1,0,0,0,0|0,0,0]=2 2732 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,1,0,0,0,0|0,0,0]=2 2733 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,1,0,0,0,0|0,0,0]=2 2734 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [1,1,0,0,0,0|1,0,1]=4 2735 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [1,1,0,0,0,0|1,0,1]=4 2736 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [1,1,0,0,0,0|1,0,1]=4 2737 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,1,0,0,0,0|1,0,0]=3 2738 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,1,0,0,0,0|0,0,0]=2 2739 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,1,0,0,0,0|0,0,0]=2 2740 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [1,1,0,0,0,0|1,0,1]=4 2741 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [1,1,0,0,0,0|1,0,1]=4 2742 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,1,0,0,0,0|1,0,0]=3 2743 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,1,0,0,0,0|1,0,0]=3 2744 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [1,1,0,0,0,0|1,0,1]=4 2745 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,1,0,0,0,0|0,0,2]=4 2746 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [1,1,0,0,0,0|1,0,0]=3 2747 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,1,0,0,0,0|0,0,1]=3 2748 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,1,0,0,0,0|0,0,1]=3 2749 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,1,0,0,0,0|1,0,0]=3 2750 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,1,0,0,0,0|1,0,1]=4 2751 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [1,1,0,0,0,0|2,0,0]=4 2752 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [1,1,0,0,0,0|2,0,0]=4 2753 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,1,0,0,0,0|0,0,2]=4 2754 B7R0.8 CC(C)(O)CCCO MCULE-1879136086 [1,1,0,0,0,0|1,0,1]=4 2755 B7R0.8 CCCCC(C)(C)O MCULE-6518378731 [1,1,0,0,0,0|1,0,1]=4 2756 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [1,1,0,0,0,0|1,0,0]=3 2757 B7R0.8 CCCCS(=O)(=O)Cl MCULE-8979625112 [1,1,0,0,0,0|1,0,1]=4 2758 B7R0.8 CCCCS(=O)(=O)F MCULE-6322697475 [1,1,0,0,0,0|1,0,1]=4 2759 B7R0.8 CCCCS(=O)(=O)N MCULE-2248674497 [1,1,0,0,0,0|1,0,1]=4 2760 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [1,1,0,0,0,0|1,0,0]=3 2761 B7R0.8 CCCCS(=O)(=O)[O-] MCULE-9859570424 [1,1,0,0,0,0|1,0,1]=4 2762 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [1,1,0,0,0,0|2,0,0]=4 2763 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [1,1,0,0,0,0|2,0,0]=4 2764 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [1,1,0,0,0,0|2,0,0]=4 2765 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [1,1,0,0,0,0|2,0,0]=4 2766 B7R0.8 CS(=O)(=O)CCCO MCULE-6816358475 [1,1,0,0,0,0|1,0,1]=4 2767 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [1,1,0,0,0,0|2,0,0]=4 2768 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [1,1,0,0,0,0|2,0,0]=4 2769 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [1,1,0,0,0,0|2,0,0]=4 2770 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [1,1,0,0,0,0|2,0,0]=4 2771 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [1,1,0,0,0,0|2,0,0]=4 2772 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [1,1,0,0,0,0|1,0,0]=3 2773 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [1,1,0,0,0,0|1,1,0]=4 2774 B7R0.8 O=S(=O)([O-])CCCO MCULE-8868858831 [1,1,0,0,0,0|1,0,1]=4 2775 B7R0.1 C#CCCCCC=O MCULE-2019630243 [1,1,0,0,0,0|1,0,0]=3 2776 B7R0.1 C#CCCCCCO MCULE-2909503471 [1,1,0,0,0,0|1,0,1]=4 2777 B7R0.1 C#CCOCCCO MCULE-2600818859 [1,1,0,0,0,0|1,0,1]=4 2778 B7R0.1 C/C=C/CCCCC MCULE-6911363331 [1,1,0,0,0,0|2,0,0]=4 2779 B7R0.1 C/C=C\CCCCC MCULE-9470036254 [1,1,0,0,0,0|2,0,0]=4 2780 B7R0.1 C=CCC#CCCO MCULE-2960075392 [1,1,0,0,0,0|1,0,1]=4 2781 B7R0.1 C=CCCCCC#N MCULE-5195400885 [1,1,0,0,0,0|2,0,0]=4 2782 B7R0.1 C=CCCCCC=C MCULE-9285021489 [1,1,0,0,0,0|2,0,0]=4 2783 B7R0.1 C=CCCCCC=O MCULE-6786275827 [1,1,0,0,0,0|1,0,0]=3 2784 B7R0.1 C=CCCCCCBr MCULE-7782876660 [1,1,0,0,0,0|2,0,0]=4 2785 B7R0.1 C=CCCCCCC MCULE-6867393536 [1,1,0,0,0,0|2,0,0]=4 2786 B7R0.1 C=CCCCCCCl MCULE-2205880878 [1,1,0,0,0,0|2,0,0]=4 2787 B7R0.1 C=CCCCCCI MCULE-1823596954 [1,1,0,0,0,0|2,0,0]=4 2788 B7R0.1 C=CCCCCCN MCULE-2913783474 [1,1,0,0,0,0|2,0,0]=4 2789 B7R0.1 C=CCCCCCN MCULE-9545708862 [1,1,0,0,0,0|2,0,0]=4 2790 B7R0.1 C=CCCCCCO MCULE-1200112990 [1,1,0,0,0,0|1,0,0]=3 2791 B7R0.1 C=CCCCCNC MCULE-3676018759 [1,1,0,0,0,0|2,0,0]=4 2792 B7R0.1 C=CCCCCNC MCULE-9443600983 [1,1,0,0,0,0|2,0,0]=4 2793 B7R0.1 C=CCCCCON MCULE-1155744928 [1,1,0,0,0,0|1,0,0]=3 2794 B7R0.1 C=CCCCCON MCULE-1741904620 [1,1,0,0,0,0|1,0,0]=3 2795 B7R0.1 C=CCCCNCC MCULE-2141378110 [1,1,0,0,0,0|2,0,0]=4 2796 B7R0.1 C=CCCCNCC MCULE-4269657694 [1,1,0,0,0,0|2,0,0]=4 2797 B7R0.1 C=CCCCOCCl MCULE-1172012073 [1,1,0,0,0,0|2,0,0]=4 2798 B7R0.1 C=CCCNCCO MCULE-8357008337 [1,1,0,0,0,0|1,0,0]=3 2799 B7R0.1 C=CCCOCCN MCULE-5958891740 [1,1,0,0,0,0|2,0,0]=4 2800 B7R0.1 C=CCCOCCO MCULE-5369849290 [1,1,0,0,0,0|1,0,0]=3 2801 B7R0.1 C=CCCSCCN MCULE-5541844264 [1,1,0,0,0,0|2,0,0]=4 2802 B7R0.1 C=CCNCCOC MCULE-6576578655 [1,1,0,0,0,0|2,0,0]=4 2803 B7R0.1 C=CCOCCC=O MCULE-3332311483 [1,1,0,0,0,0|1,0,1]=4 2804 B7R0.1 C=CCOCCCBr MCULE-7892533278 [1,1,0,0,0,0|2,0,0]=4 2805 B7R0.1 C=CCOCCCC MCULE-2214755289 [1,1,0,0,0,0|2,0,0]=4 2806 B7R0.1 C=CCOCCCN MCULE-4862923195 [1,1,0,0,0,0|2,0,0]=4 2807 B7R0.1 C=CCOCCOC MCULE-7363927527 [1,1,0,0,0,0|2,0,0]=4 2808 B7R0.1 C=CCSCCCC MCULE-4868736488 [1,1,0,0,0,0|2,0,0]=4 2809 B7R0.1 C=COCCCCC MCULE-4024159480 [1,1,0,0,0,0|2,0,0]=4 2810 B7R0.1 C=COCCCCO MCULE-3537265926 [1,1,0,0,0,0|1,0,0]=3 2811 B7R0.1 CC#CCCCC=O MCULE-9621727341 [1,1,0,0,0,0|1,0,1]=4 2812 B7R0.1 CC#CCCCCO MCULE-8668355627 [1,1,0,0,0,0|1,0,1]=4 2813 B7R0.1 CC/C=C\CCC=O MCULE-5862165111 [1,1,0,0,0,0|1,0,1]=4 2814 B7R0.1 CC/C=C\CCCO MCULE-7890119012 [1,1,0,0,0,0|1,0,1]=4 2815 B7R0.1 CC=CCCCCC MCULE-7111489659 [1,1,0,0,0,0|2,0,0]=4 2816 B7R0.1 CC=CCCCCO MCULE-8707373340 [1,1,0,0,0,0|1,0,0]=3 2817 B7R0.1 CCC=CCCC=O MCULE-1386777548 [1,1,0,0,0,0|1,0,1]=4 2818 B7R0.1 CCC=CCCCO MCULE-9620732691 [1,1,0,0,0,0|1,0,1]=4 2819 B7R0.1 CCCC/C=C/C=O MCULE-1260131686 [1,1,0,0,0,0|1,0,1]=4 2820 B7R0.1 CCCC/C=C/CO MCULE-5404793542 [1,1,0,0,0,0|1,0,1]=4 2821 B7R0.1 CCCCC#CC=O MCULE-6973833394 [1,1,0,0,0,0|1,0,1]=4 2822 B7R0.1 CCCCC=CC=O MCULE-6776317009 [1,1,0,0,0,0|1,0,1]=4 2823 B7R0.1 CCCCC=CCO MCULE-7891403223 [1,1,0,0,0,0|1,0,1]=4 2824 B7R0.1 CCCCCC=CI MCULE-9964634818 [1,1,0,0,0,0|2,0,0]=4 2825 B7R0.1 CCCCCCC=O MCULE-5251820425 [1,1,0,0,0,0|1,0,0]=3 2826 B7R0.1 CCCCCCCO MCULE-5882959353 [1,1,0,0,0,0|1,0,1]=4 2827 B7R0.1 CCCCCCNO MCULE-4175875706 [1,1,0,0,0,0|1,0,1]=4 2828 B7R0.1 CCCCCCNO MCULE-8719557426 [1,1,0,0,0,0|1,0,1]=4 2829 B7R0.1 CCCCCCOC MCULE-7148964901 [1,1,0,0,0,0|1,0,1]=4 2830 B7R0.1 CCCCCCON MCULE-1836746134 [1,1,0,0,0,0|1,0,1]=4 2831 B7R0.1 CCCCCCON MCULE-9566158736 [1,1,0,0,0,0|1,0,1]=4 2832 B7R0.1 CCCCCN=C=O MCULE-6020523044 [1,1,0,0,0,0|1,0,1]=4 2833 B7R0.1 CCCCCOC=O MCULE-2718009140 [1,1,0,0,0,0|1,0,0]=3 2834 B7R0.1 CCCCCON=O MCULE-8065075083 [1,1,0,0,0,0|2,0,0]=4 2835 B7R0.1 CCCCNCCO MCULE-3582031814 [1,1,0,0,0,0|1,0,1]=4 2836 B7R0.1 CCCCOCCO MCULE-1727546427 [1,1,0,0,0,0|1,0,1]=4 2837 B7R0.1 CCCCOCCO MCULE-4417721312 [1,1,0,0,0,0|1,0,1]=4 2838 B7R0.1 CCCCSCCO MCULE-8791357083 [1,1,0,0,0,0|1,0,1]=4 2839 B7R0.1 CCCNCCCO MCULE-4366982860 [1,1,0,0,0,0|1,0,1]=4 2840 B7R0.1 CCNCCCCO MCULE-4851249509 [1,1,0,0,0,0|1,0,1]=4 2841 B7R0.1 CCOCCCCO MCULE-9986213119 [1,1,0,0,0,0|1,0,1]=4 2842 B7R0.1 CCSCCCCO MCULE-1712194349 [1,1,0,0,0,0|1,0,1]=4 2843 B7R0.1 CNCCCCCO MCULE-2988249730 [1,1,0,0,0,0|1,0,1]=4 2844 B7R0.1 CNCCCCCO MCULE-8033733525 [1,1,0,0,0,0|1,0,1]=4 2845 B7R0.1 CNCCCCOC MCULE-3203262011 [1,1,0,0,0,0|2,0,0]=4 2846 B7R0.1 CNCCOCCO MCULE-7869540361 [1,1,0,0,0,0|2,0,0]=4 2847 B7R0.1 COCCCCC#N MCULE-5969342869 [1,1,0,0,0,0|1,0,1]=4 2848 B7R0.1 COCCCCCBr MCULE-9843465236 [1,1,0,0,0,0|1,0,1]=4 2849 B7R0.1 COCCCCCCl MCULE-6956815361 [1,1,0,0,0,0|1,0,1]=4 2850 B7R0.1 COCCCCCN MCULE-2109050097 [1,1,0,0,0,0|1,0,1]=4 2851 B7R0.1 COCCCCCO MCULE-6003118644 [1,1,0,0,0,0|0,0,1]=3 2852 B7R0.1 COCCCCOC MCULE-3614881304 [1,1,0,0,0,0|2,0,0]=4 2853 B7R0.1 COCCCN=C=O MCULE-9248091945 [1,1,0,0,0,0|1,0,1]=4 2854 B7R0.1 COCCNCCO MCULE-3082225541 [1,1,0,0,0,0|1,0,1]=4 2855 B7R0.1 COCCOCC=O MCULE-2621317944 [1,1,0,0,0,0|1,0,0]=3 2856 B7R0.1 COCCOCCO MCULE-4230242952 [1,1,0,0,0,0|1,0,1]=4 2857 B7R0.1 COCCSCCO MCULE-5057235828 [1,1,0,0,0,0|1,0,1]=4 2858 B7R0.1 COCOCCC=O MCULE-3632276453 [1,1,0,0,0,0|1,0,0]=3 2859 B7R0.1 CSCCCCCO MCULE-3422729293 [1,1,0,0,0,0|0,1,1]=4 2860 B7R0.1 N#CCCNCCO MCULE-4867229301 [1,1,0,0,0,0|1,0,1]=4 2861 B7R0.1 N#CCCNCCO MCULE-9947925933 [1,1,0,0,0,0|1,0,1]=4 2862 B7R0.1 N#CCCOCCO MCULE-4006569384 [1,1,0,0,0,0|1,0,1]=4 2863 B7R0.1 N#CCCSCCO MCULE-6168568089 [1,1,0,0,0,0|1,0,1]=4 2864 B7R0.1 N#CCOCCCO MCULE-3858235861 [1,1,0,0,0,0|1,0,1]=4 2865 B7R0.1 N#N=NCCCC=O MCULE-1592256561 [1,1,0,0,0,0|2,0,0]=4 2866 B7R0.1 N#N=NCCCCO MCULE-2102116751 [1,1,0,0,0,0|2,0,0]=4 2867 B7R0.1 NCCCCCCO MCULE-2264326846 [1,1,0,0,0,0|1,0,1]=4 2868 B7R0.1 NCCCNCCO MCULE-1084481336 [1,1,0,0,0,0|1,0,1]=4 2869 B7R0.1 NCCCOCCO MCULE-7244821044 [1,1,0,0,0,0|1,0,1]=4 2870 B7R0.1 NCCNCCCO MCULE-6476789217 [1,1,0,0,0,0|1,0,1]=4 2871 B7R0.1 NCCOCCCO MCULE-2435588099 [1,1,0,0,0,0|1,0,1]=4 2872 B7R0.1 NCCOCCCO MCULE-9188421727 [1,1,0,0,0,0|1,0,1]=4 2873 B7R0.1 NCCSCCCO MCULE-1578023056 [1,1,0,0,0,0|1,0,1]=4 2874 B7R0.1 NOCCOCCO MCULE-7815173940 [1,1,0,0,0,0|1,0,1]=4 2875 B7R0.1 O=CCCCCC=O MCULE-3751145550 [1,1,0,0,0,0|0,0,1]=3 2876 B7R0.1 O=CCCCCCBr MCULE-7014516847 [1,1,0,0,0,0|1,0,0]=3 2877 B7R0.1 O=CCCCCCCl MCULE-8269912560 [1,1,0,0,0,0|1,0,0]=3 2878 B7R0.1 O=CCCCCCF MCULE-8174281286 [1,1,0,0,0,0|1,0,0]=3 2879 B7R0.1 O=CCCCCCO MCULE-3978349845 [1,1,0,0,0,0|0,0,0]=2 2880 B7R0.1 O=CCCCCCO MCULE-4997016680 [1,1,0,0,0,0|0,0,0]=2 2881 B7R0.1 OCCC=CCCO MCULE-7933051592 [1,1,0,0,0,0|0,0,2]=4 2882 B7R0.1 OCCCCCCBr MCULE-3500356936 [1,1,0,0,0,0|1,0,1]=4 2883 B7R0.1 OCCCCCCCl MCULE-4507452440 [1,1,0,0,0,0|1,0,1]=4 2884 B7R0.1 OCCCCCCF MCULE-7082491218 [1,1,0,0,0,0|1,0,1]=4 2885 B7R0.1 OCCCCCCI MCULE-3710706648 [1,1,0,0,0,0|1,0,1]=4 2886 B7R0.1 OCCCCCCO MCULE-8817570517 [1,1,0,0,0,0|0,0,1]=3 2887 B7R0.1 OCCCCCCS MCULE-9135853131 [1,1,0,0,0,0|0,1,1]=4 2888 B7R0.1 OCCCNCCO MCULE-1959450493 [1,1,0,0,0,0|0,0,1]=3 2889 B7R0.1 OCCCOCCCl MCULE-9172390990 [1,1,0,0,0,0|1,0,1]=4 2890 B7R0.1 OCCNNCCO MCULE-5335815164 [1,1,0,0,0,0|1,0,1]=4 2891 B7R0.1 OCCOCCCBr MCULE-3397483886 [1,1,0,0,0,0|1,0,1]=4 2892 B7R0.1 OCCSSCCO MCULE-9443383082 [1,1,0,0,0,0|1,0,1]=4 2893 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [1,1,0,0,0,0|2,0,0]=4 2894 B7R0.7 C=CCN(C)CCO MCULE-5364416545 [1,1,0,0,0,0|2,0,0]=4 2895 B7R0.7 CC(CCN)CCO MCULE-7864092529 [1,1,0,0,0,0|1,0,1]=4 2896 B7R0.7 CC(CCO)CCO MCULE-5426211201 [1,1,0,0,0,0|0,0,1]=3 2897 B7R0.7 CCCC(C)CCO MCULE-6887128167 [1,1,0,0,0,0|1,0,1]=4 2898 B7R0.7 CCCC(N)CCO MCULE-3641094890 [1,1,0,0,0,0|1,0,1]=4 2899 B7R0.7 CCCC(N)CCO MCULE-5323991138 [1,1,0,0,0,0|1,0,1]=4 2900 B7R0.7 CCCC(N)CCO MCULE-6597027417 [1,1,0,0,0,0|1,0,1]=4 2901 B7R0.7 CCCC(N)CCO MCULE-8093709628 [1,1,0,0,0,0|1,0,1]=4 2902 B7R0.7 CCCC(O)CCO MCULE-6957178966 [1,1,0,0,0,0|1,0,1]=4 2903 B7R0.7 CCCC(S)CCO MCULE-7972451905 [1,1,0,0,0,0|1,0,1]=4 2904 B7R0.7 CCC[C@@H](N)CCO MCULE-1862127512 [1,1,0,0,0,0|1,0,1]=4 2905 B7R0.7 CCC[C@@H](N)CCO MCULE-3031366486 [1,1,0,0,0,0|1,0,1]=4 2906 B7R0.7 CCC[C@@H](N)CCO MCULE-4433535200 [1,1,0,0,0,0|1,0,1]=4 2907 B7R0.7 CCC[C@@H](N)CCO MCULE-8325506694 [1,1,0,0,0,0|1,0,1]=4 2908 B7R0.7 CCC[C@H](N)CCO MCULE-3164100995 [1,1,0,0,0,0|1,0,1]=4 2909 B7R0.7 CCC[C@H](N)CCO MCULE-3262978007 [1,1,0,0,0,0|1,0,1]=4 2910 B7R0.7 CCC[C@H](N)CCO MCULE-3382311889 [1,1,0,0,0,0|1,0,1]=4 2911 B7R0.7 CCC[C@H](N)CCO MCULE-4865013919 [1,1,0,0,0,0|1,0,1]=4 2912 B7R0.7 CCSC(C)CC=O MCULE-8200772170 [1,1,0,0,0,0|2,0,0]=4 2913 B7R0.7 CN(CCO)CCO MCULE-3967840948 [1,1,0,0,0,0|1,0,1]=4 2914 B7R0.7 CN(CCO)CCO MCULE-6878116085 [1,1,0,0,0,0|1,0,1]=4 2915 B7R0.7 COCC(C)CCO MCULE-6812981556 [1,1,0,0,0,0|2,0,0]=4 2916 B7R0.7 COCC(N)CCO MCULE-2569422233 [1,1,0,0,0,0|2,0,0]=4 2917 B7R0.7 CSCC(N)CCO MCULE-2899374338 [1,1,0,0,0,0|2,0,0]=4 2918 B7R0.7 O=C(CCO)CCO MCULE-8765223516 [1,1,0,0,0,0|0,0,2]=4 2919 B7R0.7 O=S(CCO)CCO MCULE-3068452870 [1,1,0,0,0,0|1,0,1]=4 2920 B7R0.7 OCCC(O)CCO MCULE-1162803524 [1,1,0,0,0,0|0,0,1]=3 2921 B9R0.4 C#CCCN(C)CC(=O)O MCULE-2368300215 [0,2,0,0,0,0|1,0,1]=4 2922 B9R0.4 C#CCCN(C)CC(=O)O MCULE-3491335280 [0,2,0,0,0,0|1,0,1]=4 2923 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [0,2,0,0,0,0|1,0,0]=3 2924 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [0,2,0,0,0,0|1,0,0]=3 2925 B9R0.4 CC(=O)CC(=O)NCCO MCULE-5180986682 [0,2,0,0,0,0|1,0,1]=4 2926 B9R0.4 CC(=O)CC(=O)OCCO MCULE-4808732225 [0,2,0,0,0,0|1,0,1]=4 2927 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [0,2,0,0,0,0|0,0,0]=2 2928 B9R0.4 CCCCC(=O)CC(=O)C MCULE-9961207967 [0,2,0,0,0,0|2,0,0]=4 2929 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,2,0,0,0,0|1,0,0]=3 2930 B9R0.4 CCCCC(C)OC(=O)Cl MCULE-3267128498 [0,2,0,0,0,0|2,0,0]=4 2931 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,2,0,0,0,0|1,0,0]=3 2932 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,2,0,0,0,0|1,0,0]=3 2933 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,2,0,0,0,0|1,0,0]=3 2934 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,2,0,0,0,0|1,0,0]=3 2935 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,2,0,0,0,0|1,0,0]=3 2936 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,2,0,0,0,0|1,0,0]=3 2937 B9R0.4 CN(CCC#N)CC(=O)O MCULE-1515172721 [0,2,0,0,0,0|1,0,1]=4 2938 B9R0.4 COCCN(C)CC(=O)O MCULE-2440763888 [0,2,0,0,0,0|1,0,0]=3 2939 B9R0.4 COCCN(C)CC(=O)O MCULE-6319676297 [0,2,0,0,0,0|1,0,0]=3 2940 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,2,0,0,0,0|0,1,0]=3 2941 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,2,0,0,0,0|0,1,0]=3 2942 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,2,0,0,0,0|0,1,0]=3 2943 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,2,0,0,0,0|0,1,0]=3 2944 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,2,0,0,0,0|0,1,0]=3 2945 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,2,0,0,0,0|0,1,0]=3 2946 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,2,0,0,0,0|0,1,0]=3 2947 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,2,0,0,0,0|0,1,0]=3 2948 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,2,0,0,0,0|0,1,0]=3 2949 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,2,0,0,0,0|0,1,0]=3 2950 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,2,0,0,0,0|0,1,0]=3 2951 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,2,0,0,0,0|1,0,0]=3 2952 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,2,0,0,0,0|1,0,0]=3 2953 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,2,0,0,0,0|1,0,0]=3 2954 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,2,0,0,0,0|1,0,0]=3 2955 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,2,0,0,0,0|1,0,0]=3 2956 B9R0.4 [N-]=[N+]=NC[C@@H](N)CC(=O)O MCULE-2831741781 [0,2,0,0,0,0|2,0,0]=4 2957 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,2,0,0,0,0|1,0,0]=3 2958 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-3877102152 [0,2,0,0,0,0|2,0,0]=4 2959 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-5998533545 [0,2,0,0,0,0|2,0,0]=4 2960 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,2,0,0,0,0|1,0,0]=3 2961 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-1873801018 [0,2,0,0,0,0|2,0,0]=4 2962 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-5086135715 [0,2,0,0,0,0|2,0,0]=4 2963 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,2,0,0,0,0|1,0,0]=3 2964 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,2,0,0,0,0|1,0,0]=3 2965 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,2,0,0,0,0|1,0,0]=3 2966 B9R0.6 COCC(C)C(C)C(=O)O MCULE-8168198082 [0,2,0,0,0,0|2,0,0]=4 2967 B9R0.14 C=CC(CCC)CC(=O)O MCULE-7907267151 [0,2,0,0,0,0|1,0,0]=3 2968 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [0,2,0,0,0,0|1,0,0]=3 2969 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,2,0,0,0,0|1,0,0]=3 2970 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,2,0,0,0,0|1,0,0]=3 2971 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-8864839000 [0,2,0,0,0,0|2,0,0]=4 2972 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-9691138087 [0,2,0,0,0,0|2,0,0]=4 2973 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,2,0,0,0,0|1,0,0]=3 2974 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,2,0,0,0,0|1,0,0]=3 2975 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,2,0,0,0,0|1,0,0]=3 2976 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,2,0,0,0,0|1,0,0]=3 2977 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,2,0,0,0,0|1,0,0]=3 2978 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,2,0,0,0,0|1,0,0]=3 2979 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,2,0,0,0,0|1,0,0]=3 2980 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,2,0,0,0,0|1,0,0]=3 2981 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,2,0,0,0,0|1,0,0]=3 2982 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,2,0,0,0,0|1,0,0]=3 2983 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [0,2,0,0,0,0|1,0,1]=4 2984 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,2,0,0,0,0|0,0,0]=2 2985 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,2,0,0,0,0|0,0,0]=2 2986 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9776508302 [0,2,0,0,0,0|1,0,1]=4 2987 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9805416518 [0,2,0,0,0,0|1,0,1]=4 2988 B9R0.34 CCCC(=O)CC(=O)OC MCULE-2510974701 [0,2,0,0,0,0|1,0,1]=4 2989 B9R0.34 CCCC(N)CC(=O)OC MCULE-5451525631 [0,2,0,0,0,0|1,0,0]=3 2990 B9R0.34 CCCC(N)CC(=O)OC MCULE-7351529051 [0,2,0,0,0,0|1,0,0]=3 2991 B9R0.34 CCCC(O)CC(=O)OC MCULE-5453080247 [0,2,0,0,0,0|1,0,0]=3 2992 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-1916315590 [0,2,0,0,0,0|1,0,0]=3 2993 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-6083487116 [0,2,0,0,0,0|1,0,0]=3 2994 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-7324647206 [0,2,0,0,0,0|1,0,0]=3 2995 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-8276275492 [0,2,0,0,0,0|1,0,0]=3 2996 B9R0.34 CCC[C@H](O)CC(=O)OC MCULE-6660623319 [0,2,0,0,0,0|1,0,0]=3 2997 B9R0.34 COC(=O)CC(=O)CCO MCULE-6784952769 [0,2,0,0,0,0|0,0,1]=3 2998 B9R0.34 COC(=O)CS(=O)CCCl MCULE-2731283159 [0,2,0,0,0,0|2,0,0]=4 2999 B9R0.34 [C@@H](O)(CCC)CC(=O)OC MCULE-5886148746 [0,2,0,0,0,0|1,0,0]=3 3000 B9R0.53 CC(=O)CC(C)CC(C)C MCULE-3290069482 [0,2,0,0,0,0|2,0,0]=4 3001 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,2,0,0,0,0|1,0,0]=3 3002 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,2,0,0,0,0|1,0,0]=3 3003 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,2,0,0,0,0|1,0,0]=3 3004 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,2,0,0,0,0|1,0,0]=3 3005 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,2,0,0,0,0|1,0,0]=3 3006 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,2,0,0,0,0|1,0,0]=3 3007 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,2,0,0,0,0|1,0,0]=3 3008 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,2,0,0,0,0|1,0,0]=3 3009 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,2,0,0,0,0|1,0,0]=3 3010 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,2,0,0,0,0|1,0,0]=3 3011 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,2,0,0,0,0|1,0,0]=3 3012 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,2,0,0,0,0|1,0,0]=3 3013 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,2,0,0,0,0|1,0,0]=3 3014 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,2,0,0,0,0|0,0,1]=3 3015 B9R0.53 CN(C)CC(O)CC(=O)O MCULE-7052117725 [0,2,0,0,0,0|2,0,0]=4 3016 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,2,0,0,0,0|1,0,1]=4 3017 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,2,0,0,0,0|1,0,1]=4 3018 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,2,0,0,0,0|0,0,1]=3 3019 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,2,0,0,0,0|0,0,1]=3 3020 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,2,0,0,0,0|1,0,1]=4 3021 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,2,0,0,0,0|0,0,2]=4 3022 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,2,0,0,0,0|0,0,1]=3 3023 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,2,0,0,0,0|1,0,1]=4 3024 B9R0.58 C=CCC(C)(C)CC(=O)O MCULE-3859494910 [0,2,0,0,0,0|1,0,1]=4 3025 B9R0.58 CC(O)(CCO)CC(=O)O MCULE-1728546222 [0,2,0,0,0,0|0,0,0]=2 3026 B9R0.58 CC(O)(CCO)CC(=O)[O-] MCULE-2842724264 [0,2,0,0,0,0|0,0,1]=3 3027 B9R0.58 CCCC(C)(C)CC(=O)O MCULE-3472003458 [0,2,0,0,0,0|1,0,0]=3 3028 B9R0.58 CCCC(C)(O)CC(=O)O MCULE-7082436494 [0,2,0,0,0,0|1,0,0]=3 3029 B9R0.58 CCCS(=O)(=O)CC(=O)O MCULE-2673302591 [0,2,0,0,0,0|2,0,0]=4 3030 B9R0.58 CNCC(C)(C)CC(=O)O MCULE-9673126610 [0,2,0,0,0,0|2,0,0]=4 3031 B9R0.58 COCC(C)(C)CC(=O)O MCULE-3020905492 [0,2,0,0,0,0|2,0,0]=4 3032 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-1986337120 [0,2,0,0,0,0|0,0,0]=2 3033 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-8476600793 [0,2,0,0,0,0|0,0,0]=2 3034 B9R0.58 O=C(O)CS(=O)(=O)CCO MCULE-3180738518 [0,2,0,0,0,0|1,0,0]=3 3035 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [0,2,0,0,0,0|1,0,1]=4 3036 B9R0.1 CC(O)CCNC(=O)CN MCULE-2254047793 [0,2,0,0,0,0|2,0,0]=4 3037 B9R0.1 CC(O)CCNC(=O)CN MCULE-3406589793 [0,2,0,0,0,0|2,0,0]=4 3038 B9R0.1 CCC(=CCCC(=O)O)C MCULE-6674917264 [0,2,0,0,0,0|1,0,1]=4 3039 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,2,0,0,0,0|1,0,0]=3 3040 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,2,0,0,0,0|1,0,1]=4 3041 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,2,0,0,0,0|1,0,0]=3 3042 B9R0.1 CCC(C)CCOC(=O)C MCULE-7887852572 [0,2,0,0,0,0|2,0,0]=4 3043 B9R0.1 CCC(C)NCCC(=O)N MCULE-1926892639 [0,2,0,0,0,0|2,0,0]=4 3044 B9R0.1 CCC(C)NCCC(=O)N MCULE-9191758717 [0,2,0,0,0,0|2,0,0]=4 3045 B9R0.1 CCC(C)OCCC(=O)C MCULE-5228891169 [0,2,0,0,0,0|2,0,0]=4 3046 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [0,2,0,0,0,0|1,0,1]=4 3047 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,2,0,0,0,0|0,0,2]=4 3048 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [0,2,0,0,0,0|0,0,2]=4 3049 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [0,2,0,0,0,0|0,0,2]=4 3050 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [0,2,0,0,0,0|0,0,1]=3 3051 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [0,2,0,0,0,0|0,1,1]=4 3052 B9R0.1 COC(=O)CCCN(=O)=O MCULE-6885475719 [0,2,0,0,0,0|1,0,1]=4 3053 B9R0.1 COC(=O)CCNC(C)C MCULE-3115197137 [0,2,0,0,0,0|2,0,0]=4 3054 B9R0.1 COC(=O)CCOC(C)C MCULE-7375114794 [0,2,0,0,0,0|2,0,0]=4 3055 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [0,2,0,0,0,0|1,0,1]=4 3056 B9R0.1 COC(=O)CNCC(C)C MCULE-6522627999 [0,2,0,0,0,0|2,0,0]=4 3057 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [0,2,0,0,0,0|1,0,1]=4 3058 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [0,2,0,0,0,0|1,0,1]=4 3059 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [0,2,0,0,0,0|1,0,1]=4 3060 B9R0.1 COC(C)CCOC(=O)C MCULE-3980717537 [0,2,0,0,0,0|2,0,0]=4 3061 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,2,0,0,0,0|1,0,0]=3 3062 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,2,0,0,0,0|1,0,0]=3 3063 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,2,0,0,0,0|0,0,0]=2 3064 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [0,2,0,0,0,0|1,0,1]=4 3065 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [0,2,0,0,0,0|1,0,1]=4 3066 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [0,2,0,0,0,0|0,0,1]=3 3067 B9R0.5 C#CCCCC(=O)OCC MCULE-7331649216 [0,2,0,0,0,0|1,0,1]=4 3068 B9R0.5 C=CCCCC(=O)OCC MCULE-6747714335 [0,2,0,0,0,0|1,0,1]=4 3069 B9R0.5 C=COC(=O)CCCCC MCULE-9610448604 [0,2,0,0,0,0|1,0,0]=3 3070 B9R0.5 CCCCCC(=O)CCC MCULE-5706146235 [0,2,0,0,0,0|2,0,0]=4 3071 B9R0.5 CCCCCC(=O)OCC MCULE-5403677128 [0,2,0,0,0,0|1,0,0]=3 3072 B9R0.5 CCCCNC(=O)OCC MCULE-8548277091 [0,2,0,0,0,0|2,0,0]=4 3073 B9R0.5 CCCCOC(=O)CON MCULE-1664882724 [0,2,0,0,0,0|2,0,0]=4 3074 B9R0.5 CCCNCC(=O)OCC MCULE-1614665340 [0,2,0,0,0,0|2,0,0]=4 3075 B9R0.5 CCNC(=O)CCCCO MCULE-9325293372 [0,2,0,0,0,0|1,0,0]=3 3076 B9R0.5 CCNC(=O)NCCCO MCULE-9582031605 [0,2,0,0,0,0|2,0,0]=4 3077 B9R0.5 CCNCCC(=O)OCC MCULE-5511872214 [0,2,0,0,0,0|2,0,0]=4 3078 B9R0.5 CCOC(=N)CCCCBr MCULE-4651734827 [0,2,0,0,0,0|2,0,0]=4 3079 B9R0.5 CCOC(=O)C=CCCO MCULE-2905144053 [0,2,0,0,0,0|0,0,2]=4 3080 B9R0.5 CCOC(=O)CCCC#N MCULE-3543261727 [0,2,0,0,0,0|1,0,1]=4 3081 B9R0.5 CCOC(=O)CCCC=O MCULE-3082074155 [0,2,0,0,0,0|0,0,2]=4 3082 B9R0.5 CCOC(=O)CCCCBr MCULE-9188586817 [0,2,0,0,0,0|1,0,0]=3 3083 B9R0.5 CCOC(=O)CCCCCl MCULE-8211485770 [0,2,0,0,0,0|1,0,0]=3 3084 B9R0.5 CCOC(=O)CCCCI MCULE-9427602912 [0,2,0,0,0,0|1,0,0]=3 3085 B9R0.5 CCOC(=O)CCCCN MCULE-3254365356 [0,2,0,0,0,0|1,0,0]=3 3086 B9R0.5 CCOC(=O)CCCCN MCULE-6113178932 [0,2,0,0,0,0|1,0,0]=3 3087 B9R0.5 CCOC(=O)CCCCO MCULE-3157415426 [0,2,0,0,0,0|0,0,0]=2 3088 B9R0.5 CCOC(=O)CNCCN MCULE-5162250475 [0,2,0,0,0,0|2,0,0]=4 3089 B9R0.5 CCOC(=O)CNCCN MCULE-6793281928 [0,2,0,0,0,0|2,0,0]=4 3090 B9R0.5 CCOC(=O)COCCBr MCULE-4604862482 [0,2,0,0,0,0|2,0,0]=4 3091 B9R0.5 CCOC(=O)COCCCl MCULE-9218281344 [0,2,0,0,0,0|2,0,0]=4 3092 B9R0.5 CCOC(=O)COCCI MCULE-7705777158 [0,2,0,0,0,0|2,0,0]=4 3093 B9R0.5 CCOC(=O)COCCN MCULE-7738890913 [0,2,0,0,0,0|2,0,0]=4 3094 B9R0.5 CCOC(=O)COCCN MCULE-8436568303 [0,2,0,0,0,0|2,0,0]=4 3095 B9R0.5 CCOC(=O)CSCCN MCULE-9316167874 [0,2,0,0,0,0|2,0,0]=4 3096 B9R0.5 CCOCCC(=O)OCC MCULE-8331611688 [0,2,0,0,0,0|2,0,0]=4 3097 B9R0.5 CNCC(=O)NCCCO MCULE-5031724612 [0,2,0,0,0,0|2,0,0]=4 3098 B9R0.5 CNCC(=O)NCCCO MCULE-6380131589 [0,2,0,0,0,0|2,0,0]=4 3099 B9R0.5 NCCC(=O)NCCCO MCULE-1806258951 [0,2,0,0,0,0|2,0,0]=4 3100 B9R0.5 NCCC(=O)NCCCO MCULE-8748864023 [0,2,0,0,0,0|2,0,0]=4 3101 B9R0.5 NCCCNC(=O)C=NO MCULE-2287287416 [0,2,0,0,0,0|2,0,0]=4 3102 B9R0.5 NCCCNC(=O)C=NO MCULE-3869311918 [0,2,0,0,0,0|2,0,0]=4 3103 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-3671687930 [0,2,0,0,0,0|1,0,0]=3 3104 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-7038280539 [0,2,0,0,0,0|1,0,0]=3 3105 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9372602528 [0,2,0,0,0,0|1,0,1]=4 3106 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9719986161 [0,2,0,0,0,0|1,0,1]=4 3107 B9R0.8 CCCCC(Br)C(=O)OC MCULE-4103872528 [0,2,0,0,0,0|1,0,0]=3 3108 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [0,2,0,0,0,0|1,0,0]=3 3109 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [0,2,0,0,0,0|1,0,0]=3 3110 B9R0.8 CCCCC(S)C(=O)OC MCULE-3094220494 [0,2,0,0,0,0|1,0,0]=3 3111 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [0,2,0,0,0,0|1,0,0]=3 3112 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [0,2,0,0,0,0|1,0,0]=3 3113 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [0,2,0,0,0,0|1,0,0]=3 3114 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [0,2,0,0,0,0|1,0,0]=3 3115 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [0,2,0,0,0,0|1,0,0]=3 3116 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [0,2,0,0,0,0|1,0,0]=3 3117 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [0,2,0,0,0,0|1,0,0]=3 3118 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [0,2,0,0,0,0|1,0,0]=3 3119 B9R0.8 CCCNC(C)C(=O)OC MCULE-6800510102 [0,2,0,0,0,0|2,0,0]=4 3120 B9R0.8 CCNCC(C)C(=O)OC MCULE-6455791716 [0,2,0,0,0,0|2,0,0]=4 3121 B9R0.8 CNC(=O)C(Br)CCCBr MCULE-1002452684 [0,2,0,0,0,0|2,0,0]=4 3122 B9R0.8 COC(=O)C(=O)CCCBr MCULE-8546187031 [0,2,0,0,0,0|1,0,1]=4 3123 B9R0.8 COC(=O)C(=O)CCCCl MCULE-2958576452 [0,2,0,0,0,0|1,0,1]=4 3124 B9R0.8 COC(=O)C(Br)CCCBr MCULE-5582617448 [0,2,0,0,0,0|1,0,0]=3 3125 B9R0.8 COC(=O)C(Br)CCCCl MCULE-9987054323 [0,2,0,0,0,0|1,0,0]=3 3126 B9R0.8 COC(=O)C(C)NCCF MCULE-3281749935 [0,2,0,0,0,0|2,0,0]=4 3127 B9R0.8 COC(=O)C(N)CCCN MCULE-6521555168 [0,2,0,0,0,0|1,0,0]=3 3128 B9R0.8 COC(=O)C(N)CCSC MCULE-4738091605 [0,2,0,0,0,0|2,0,0]=4 3129 B9R0.8 COC(=O)C(N)CCSC MCULE-7178342109 [0,2,0,0,0,0|2,0,0]=4 3130 B9R0.8 COC(=O)C(O)CCCBr MCULE-5891554758 [0,2,0,0,0,0|1,0,0]=3 3131 B9R0.8 COC(=O)C(O)CCSC MCULE-3114435129 [0,2,0,0,0,0|2,0,0]=4 3132 B9R0.8 COC(=O)N(C)CCCN MCULE-4167608498 [0,2,0,0,0,0|2,0,0]=4 3133 B9R0.8 COC(=O)N(C)CCCO MCULE-4886206070 [0,2,0,0,0,0|1,0,0]=3 3134 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-3351048688 [0,2,0,0,0,0|1,0,0]=3 3135 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-4548438838 [0,2,0,0,0,0|1,0,0]=3 3136 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-7062535738 [0,2,0,0,0,0|1,0,0]=3 3137 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-9355659419 [0,2,0,0,0,0|1,0,0]=3 3138 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-3027295067 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4484402389 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4509945770 [0,2,0,0,0,0|2,0,0]=4 3141 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-8108341265 [0,2,0,0,0,0|2,0,0]=4 3142 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-2625316815 [0,2,0,0,0,0|1,0,0]=3 3143 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4715960090 [0,2,0,0,0,0|1,0,0]=3 3144 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4992114876 [0,2,0,0,0,0|1,0,0]=3 3145 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-9745337815 [0,2,0,0,0,0|1,0,0]=3 3146 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2197835132 [0,2,0,0,0,0|2,0,0]=4 3147 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2663127706 [0,2,0,0,0,0|2,0,0]=4 3148 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-6414786546 [0,2,0,0,0,0|2,0,0]=4 3149 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-7616587728 [0,2,0,0,0,0|2,0,0]=4 3150 B9R0.8 COCCC(N)C(=O)OC MCULE-3540159086 [0,2,0,0,0,0|2,0,0]=4 3151 B9R0.8 COCCC(N)C(=O)OC MCULE-5893511237 [0,2,0,0,0,0|2,0,0]=4 3152 B9R0.20 CCS(=O)(=O)CCCCO MCULE-5750630900 [0,2,0,0,0,0|1,0,1]=4 3153 B9R0.24 CCC(=O)CCC(=O)OC MCULE-9090609782 [0,2,0,0,0,0|1,0,1]=4 3154 B9R0.24 CCC(C)NCC(=O)OC MCULE-5997453349 [0,2,0,0,0,0|2,0,0]=4 3155 B9R0.24 CCC(C)SCC(=O)OC MCULE-7927875176 [0,2,0,0,0,0|2,0,0]=4 3156 B9R0.24 CCC(N)CCC(=O)OC MCULE-8096200173 [0,2,0,0,0,0|1,0,0]=3 3157 B9R0.24 CCC(N)CCC(=O)OC MCULE-9735533305 [0,2,0,0,0,0|1,0,0]=3 3158 B9R0.24 CCC(O)CCC(=O)NN MCULE-1166870258 [0,2,0,0,0,0|2,0,0]=4 3159 B9R0.24 COC(=O)C=CC(O)CO MCULE-8824735317 [0,2,0,0,0,0|0,0,2]=4 3160 B9R0.24 COC(=O)CCC(=O)CBr MCULE-7044639446 [0,2,0,0,0,0|1,0,1]=4 3161 B9R0.24 COC(=O)CCC(=O)CCl MCULE-4430497907 [0,2,0,0,0,0|1,0,1]=4 3162 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [0,2,0,0,0,0|1,0,1]=4 3163 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [0,2,0,0,0,0|1,0,1]=4 3164 B9R0.24 O=C(CCl)NCC(O)CO MCULE-8204242344 [0,2,0,0,0,0|2,0,0]=4 3165 B9R0.24 O=C(CS)OCC(O)CO MCULE-2071903342 [0,2,0,0,0,0|1,1,0]=4 3166 B9R0.46 C#CCCCCC(=O)OC MCULE-4261649689 [0,2,0,0,0,0|1,0,0]=3 3167 B9R0.46 C=CC(=O)CCCCCC MCULE-4486396694 [0,2,0,0,0,0|2,0,0]=4 3168 B9R0.46 C=CC(=O)NCCCCO MCULE-8904662179 [0,2,0,0,0,0|1,0,0]=3 3169 B9R0.46 C=CC(=O)NCCCOC MCULE-8394671492 [0,2,0,0,0,0|2,0,0]=4 3170 B9R0.46 C=CC(=O)OCCCCBr MCULE-9764748740 [0,2,0,0,0,0|2,0,0]=4 3171 B9R0.46 C=CC(=O)OCCCCC MCULE-6727835934 [0,2,0,0,0,0|2,0,0]=4 3172 B9R0.46 C=CC(=O)OCCCCCl MCULE-6562256525 [0,2,0,0,0,0|2,0,0]=4 3173 B9R0.46 C=CC(=O)OCCCCO MCULE-5659811687 [0,2,0,0,0,0|1,0,0]=3 3174 B9R0.46 C=CCCCCC(=O)OC MCULE-7317556908 [0,2,0,0,0,0|1,0,0]=3 3175 B9R0.46 C=CCCNCC(=O)OC MCULE-1793995699 [0,2,0,0,0,0|1,0,1]=4 3176 B9R0.46 C=CCCNCC(=O)OC MCULE-4679984261 [0,2,0,0,0,0|1,0,1]=4 3177 B9R0.46 C=CCNCCC(=O)OC MCULE-2549759040 [0,2,0,0,0,0|1,0,1]=4 3178 B9R0.46 CCCCC#CC(=O)OC MCULE-6610188635 [0,2,0,0,0,0|1,0,1]=4 3179 B9R0.46 CCCCC=CC(=O)OC MCULE-3507079471 [0,2,0,0,0,0|1,0,1]=4 3180 B9R0.46 CCCCCCC(=O)CBr MCULE-5041636942 [0,2,0,0,0,0|2,0,0]=4 3181 B9R0.46 CCCCCCC(=O)CC MCULE-6606139631 [0,2,0,0,0,0|2,0,0]=4 3182 B9R0.46 CCCCCCC(=O)NN MCULE-6491418749 [0,2,0,0,0,0|2,0,0]=4 3183 B9R0.46 CCCCCCC(=O)NO MCULE-7308576516 [0,2,0,0,0,0|1,0,0]=3 3184 B9R0.46 CCCCCCC(=O)OC MCULE-7883111323 [0,2,0,0,0,0|1,0,0]=3 3185 B9R0.46 CCCCCNC(=O)CCl MCULE-8028345115 [0,2,0,0,0,0|2,0,0]=4 3186 B9R0.46 CCCCCOC(=O)CBr MCULE-3749700207 [0,2,0,0,0,0|2,0,0]=4 3187 B9R0.46 CCCCCOC(=O)CC MCULE-6912037911 [0,2,0,0,0,0|2,0,0]=4 3188 B9R0.46 CCCCCOC(=O)CCl MCULE-6254869186 [0,2,0,0,0,0|2,0,0]=4 3189 B9R0.46 CCCCCOC(=O)CN MCULE-1223174561 [0,2,0,0,0,0|2,0,0]=4 3190 B9R0.46 CCCCCOC(=O)CS MCULE-8048926704 [0,2,0,0,0,0|1,1,0]=4 3191 B9R0.46 CCCCCOC(=O)C[NH3+] MCULE-4653269874 [0,2,0,0,0,0|2,0,0]=4 3192 B9R0.46 CCCCSCC(=O)NN MCULE-4637902983 [0,2,0,0,0,0|2,0,0]=4 3193 B9R0.46 CCCCSCC(=O)OC MCULE-1208944064 [0,2,0,0,0,0|1,0,0]=3 3194 B9R0.46 CCCNCCC(=O)NC MCULE-7368054577 [0,2,0,0,0,0|2,0,0]=4 3195 B9R0.46 CCCNCCC(=O)NN MCULE-5834849938 [0,2,0,0,0,0|2,0,0]=4 3196 B9R0.46 CCCNCCC(=O)OC MCULE-4786941347 [0,2,0,0,0,0|1,0,0]=3 3197 B9R0.46 CCNCCCC(=O)OC MCULE-1330024068 [0,2,0,0,0,0|1,0,0]=3 3198 B9R0.46 CCNCCCC(=O)OC MCULE-1608160566 [0,2,0,0,0,0|1,0,0]=3 3199 B9R0.46 CNCCCCC(=O)OC MCULE-3479794664 [0,2,0,0,0,0|1,0,0]=3 3200 B9R0.46 CNCCCCC(=O)OC MCULE-3875784281 [0,2,0,0,0,0|1,0,0]=3 3201 B9R0.46 COC(=O)CCCCC=O MCULE-6810055406 [0,2,0,0,0,0|0,0,1]=3 3202 B9R0.46 COC(=O)CCCCCBr MCULE-5661009403 [0,2,0,0,0,0|1,0,0]=3 3203 B9R0.46 COC(=O)CCCCCCl MCULE-2967199349 [0,2,0,0,0,0|1,0,0]=3 3204 B9R0.46 COC(=O)CCCCCI MCULE-6638103547 [0,2,0,0,0,0|1,0,0]=3 3205 B9R0.46 COC(=O)CCCCCN MCULE-9013585398 [0,2,0,0,0,0|1,0,0]=3 3206 B9R0.46 COC(=O)CCCCCN MCULE-9184696999 [0,2,0,0,0,0|1,0,0]=3 3207 B9R0.46 COC(=O)CCCCCO MCULE-6405405706 [0,2,0,0,0,0|0,0,0]=2 3208 B9R0.46 COC(=O)CCCCCS MCULE-3886120866 [0,2,0,0,0,0|0,1,0]=3 3209 B9R0.46 COC(=O)CCCN=C=S MCULE-8254687973 [0,2,0,0,0,0|0,1,1]=4 3210 B9R0.46 COC(=O)CCCN=N#N MCULE-3436327994 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.46 COC(=O)CCCSC#N MCULE-9607722002 [0,2,0,0,0,0|1,0,1]=4 3212 B9R0.46 COC(=O)CCNCC#N MCULE-6687843428 [0,2,0,0,0,0|1,0,1]=4 3213 B9R0.46 COC(=O)CCNCCO MCULE-8673898296 [0,2,0,0,0,0|0,0,0]=2 3214 B9R0.46 COC(=O)CCNCCO MCULE-9372452891 [0,2,0,0,0,0|0,0,0]=2 3215 B9R0.46 COC(=O)CCOCCO MCULE-2103874995 [0,2,0,0,0,0|0,0,0]=2 3216 B9R0.46 COC(=O)CCSCCBr MCULE-9094494560 [0,2,0,0,0,0|1,0,0]=3 3217 B9R0.46 COC(=O)CNCCC#N MCULE-4050903225 [0,2,0,0,0,0|1,0,1]=4 3218 B9R0.46 COC(=O)CNCCC#N MCULE-9042406912 [0,2,0,0,0,0|1,0,1]=4 3219 B9R0.46 COC(=O)COCCCBr MCULE-4809392864 [0,2,0,0,0,0|1,0,0]=3 3220 B9R0.46 COC(=O)CSCCCCl MCULE-4673663390 [0,2,0,0,0,0|1,0,0]=3 3221 B9R0.46 COC(=O)CSSCCO MCULE-3590920745 [0,2,0,0,0,0|1,0,0]=3 3222 B9R0.46 COCCCCC(=O)OC MCULE-9886328481 [0,2,0,0,0,0|0,0,0]=2 3223 B9R0.46 COCCCNC(=O)CBr MCULE-4697485743 [0,2,0,0,0,0|2,0,0]=4 3224 B9R0.46 COCCCNC(=O)CCl MCULE-4209508475 [0,2,0,0,0,0|2,0,0]=4 3225 B9R0.46 COCCCNC(=O)CN MCULE-7060884264 [0,2,0,0,0,0|2,0,0]=4 3226 B9R0.46 COCCCNC(=O)CN MCULE-9864887903 [0,2,0,0,0,0|2,0,0]=4 3227 B9R0.46 COCCCNC(=O)NN MCULE-3220013672 [0,2,0,0,0,0|2,0,0]=4 3228 B9R0.46 COCCNCC(=O)OC MCULE-2601282680 [0,2,0,0,0,0|1,0,0]=3 3229 B9R0.46 COCCOCC(=O)NN MCULE-9758661178 [0,2,0,0,0,0|2,0,0]=4 3230 B9R0.46 COCCOCC(=O)OC MCULE-4614657424 [0,2,0,0,0,0|1,0,0]=3 3231 B9R0.46 COCCSCC(=O)OC MCULE-2376910054 [0,2,0,0,0,0|1,0,0]=3 3232 B9R0.46 NCCCCNC(=O)CCl MCULE-3702390388 [0,2,0,0,0,0|2,0,0]=4 3233 B9R0.46 NCCCCNC(=O)CCl MCULE-8135973380 [0,2,0,0,0,0|2,0,0]=4 3234 B9R0.46 NNC(=O)CCCCCO MCULE-7442906607 [0,2,0,0,0,0|1,0,0]=3 3235 B9R0.46 O=C(CBr)OCCCCBr MCULE-6257815874 [0,2,0,0,0,0|2,0,0]=4 3236 B9R0.46 OCCCCCC(O)CO MCULE-1241763539 [0,2,0,0,0,0|0,0,2]=4 3237 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [0,2,0,0,0,0|1,0,0]=3 3238 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [0,2,0,0,0,0|1,0,0]=3 3239 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [0,2,0,0,0,0|1,0,0]=3 3240 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [0,2,0,0,0,0|1,0,0]=3 3241 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [0,2,0,0,0,0|1,0,1]=4 3242 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [0,2,0,0,0,0|1,0,1]=4 3243 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [0,2,0,0,0,0|1,0,1]=4 3244 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [0,2,0,0,0,0|1,0,0]=3 3245 B9R0.47 C=C(C)C(=O)OCCCO MCULE-6773293752 [0,2,0,0,0,0|2,0,0]=4 3246 B9R0.47 C=CCCCC(C)C(=O)C MCULE-3594332716 [0,2,0,0,0,0|2,0,0]=4 3247 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [0,2,0,0,0,0|1,0,0]=3 3248 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [0,2,0,0,0,0|1,0,0]=3 3249 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [0,2,0,0,0,0|1,0,0]=3 3250 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [0,2,0,0,0,0|1,0,0]=3 3251 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [0,2,0,0,0,0|1,0,0]=3 3252 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [0,2,0,0,0,0|1,0,0]=3 3253 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [0,2,0,0,0,0|1,0,0]=3 3254 B9R0.47 C=CCCNC(C)C(=O)O MCULE-2164423879 [0,2,0,0,0,0|1,0,1]=4 3255 B9R0.47 C=CCCOC(C)C(=O)O MCULE-4921869592 [0,2,0,0,0,0|1,0,1]=4 3256 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [0,2,0,0,0,0|1,0,1]=4 3257 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [0,2,0,0,0,0|1,0,1]=4 3258 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [0,2,0,0,0,0|1,0,1]=4 3259 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [0,2,0,0,0,0|1,0,1]=4 3260 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [0,2,0,0,0,0|1,0,1]=4 3261 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [0,2,0,0,0,0|1,0,1]=4 3262 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [0,2,0,0,0,0|1,0,1]=4 3263 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [0,2,0,0,0,0|1,0,1]=4 3264 B9R0.47 CC(CSCCN)C(=O)O MCULE-8181129041 [0,2,0,0,0,0|1,0,0]=3 3265 B9R0.47 CC(CSCCN)C(=O)O MCULE-9927031234 [0,2,0,0,0,0|1,0,0]=3 3266 B9R0.47 CC(Cl)C(=O)NCCCO MCULE-7066986919 [0,2,0,0,0,0|2,0,0]=4 3267 B9R0.47 CC(N)C(=O)NCCCO MCULE-4102482572 [0,2,0,0,0,0|2,0,0]=4 3268 B9R0.47 CC(N)C(=O)NCCCO MCULE-8994648355 [0,2,0,0,0,0|2,0,0]=4 3269 B9R0.47 CC(NCCC#N)C(=O)O MCULE-7314407236 [0,2,0,0,0,0|1,0,1]=4 3270 B9R0.47 CC(O)C(=O)OCCCCl MCULE-6569752658 [0,2,0,0,0,0|2,0,0]=4 3271 B9R0.47 CCCC=CC(O)C(=O)O MCULE-9096490162 [0,2,0,0,0,0|1,0,1]=4 3272 B9R0.47 CCCCCC(=O)C(=O)C MCULE-3171324169 [0,2,0,0,0,0|1,0,1]=4 3273 B9R0.47 CCCCCC(=O)C(=O)O MCULE-2334480456 [0,2,0,0,0,0|1,0,0]=3 3274 B9R0.47 CCCCCC(=O)N(C)C MCULE-8721349489 [0,2,0,0,0,0|2,0,0]=4 3275 B9R0.47 CCCCCC(C)C(=O)C MCULE-8141962187 [0,2,0,0,0,0|2,0,0]=4 3276 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [0,2,0,0,0,0|1,0,0]=3 3277 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [0,2,0,0,0,0|1,0,0]=3 3278 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [0,2,0,0,0,0|1,0,0]=3 3279 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [0,2,0,0,0,0|1,0,0]=3 3280 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [0,2,0,0,0,0|1,0,0]=3 3281 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [0,2,0,0,0,0|1,0,0]=3 3282 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [0,2,0,0,0,0|1,0,0]=3 3283 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [0,2,0,0,0,0|1,0,0]=3 3284 B9R0.47 CCCCOC(=O)C(C)O MCULE-5462693192 [0,2,0,0,0,0|2,0,0]=4 3285 B9R0.47 CCCCOC(=O)C(O)O MCULE-4196473277 [0,2,0,0,0,0|2,0,0]=4 3286 B9R0.47 CCCCOC(=O)[C@H](C)O MCULE-5423028657 [0,2,0,0,0,0|2,0,0]=4 3287 B9R0.47 CCCCOC(=O)[C@H](C)O MCULE-8076552166 [0,2,0,0,0,0|2,0,0]=4 3288 B9R0.47 CCCCOC(C)C(=O)O MCULE-2711768240 [0,2,0,0,0,0|1,0,0]=3 3289 B9R0.47 CCCCSC(C)C(=O)O MCULE-1538375330 [0,2,0,0,0,0|1,0,0]=3 3290 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [0,2,0,0,0,0|1,0,0]=3 3291 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [0,2,0,0,0,0|1,0,0]=3 3292 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [0,2,0,0,0,0|1,0,0]=3 3293 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [0,2,0,0,0,0|1,0,0]=3 3294 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [0,2,0,0,0,0|1,0,0]=3 3295 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [0,2,0,0,0,0|1,0,0]=3 3296 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [0,2,0,0,0,0|1,0,0]=3 3297 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [0,2,0,0,0,0|1,0,0]=3 3298 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [0,2,0,0,0,0|1,0,0]=3 3299 B9R0.47 CN(C)C(=O)CCCCCl MCULE-4264506516 [0,2,0,0,0,0|2,0,0]=4 3300 B9R0.47 CN(C)C(=O)CCCCN MCULE-3652197577 [0,2,0,0,0,0|2,0,0]=4 3301 B9R0.47 CN(C)C(=O)CCCCN MCULE-8745654711 [0,2,0,0,0,0|2,0,0]=4 3302 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [0,2,0,0,0,0|0,0,0]=2 3303 B9R0.47 COCCNC(C)C(=O)N MCULE-1475869974 [0,2,0,0,0,0|2,0,0]=4 3304 B9R0.47 COCCNC(C)C(=O)N MCULE-3132916689 [0,2,0,0,0,0|2,0,0]=4 3305 B9R0.47 COCCNC(C)C(=O)O MCULE-1762428923 [0,2,0,0,0,0|1,0,0]=3 3306 B9R0.47 COCCNC(C)C(=O)O MCULE-8532368084 [0,2,0,0,0,0|1,0,0]=3 3307 B9R0.47 COCCOC(C)C(=O)O MCULE-5271320344 [0,2,0,0,0,0|1,0,0]=3 3308 B9R0.47 CSCCOC(C)C(=O)O MCULE-2180057271 [0,2,0,0,0,0|1,1,0]=4 3309 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [0,2,0,0,0,0|1,1,0]=4 3310 B9R0.47 N#N=NCCC(N)C(=O)O MCULE-3306935085 [0,2,0,0,0,0|2,0,0]=4 3311 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [0,2,0,0,0,0|0,0,0]=2 3312 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [0,2,0,0,0,0|0,0,0]=2 3313 B9R0.47 NCC#CCC(N)C(=O)O MCULE-6095484409 [0,2,0,0,0,0|1,0,1]=4 3314 B9R0.47 NCC#CCC(N)C(=O)O MCULE-8713805302 [0,2,0,0,0,0|1,0,1]=4 3315 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [0,2,0,0,0,0|1,0,1]=4 3316 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [0,2,0,0,0,0|2,0,0]=4 3317 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [0,2,0,0,0,0|2,0,0]=4 3318 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [0,2,0,0,0,0|1,0,0]=3 3319 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [0,2,0,0,0,0|1,0,0]=3 3320 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [0,2,0,0,0,0|1,0,0]=3 3321 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [0,2,0,0,0,0|1,0,0]=3 3322 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [0,2,0,0,0,0|1,0,0]=3 3323 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [0,2,0,0,0,0|1,0,0]=3 3324 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [0,2,0,0,0,0|1,0,0]=3 3325 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [0,2,0,0,0,0|1,0,0]=3 3326 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [0,2,0,0,0,0|1,0,0]=3 3327 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [0,2,0,0,0,0|2,0,0]=4 3328 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [0,2,0,0,0,0|2,0,0]=4 3329 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [0,2,0,0,0,0|2,0,0]=4 3330 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [0,2,0,0,0,0|2,0,0]=4 3331 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [0,2,0,0,0,0|1,0,0]=3 3332 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [0,2,0,0,0,0|1,0,0]=3 3333 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [0,2,0,0,0,0|1,0,0]=3 3334 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [0,2,0,0,0,0|1,0,0]=3 3335 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [0,2,0,0,0,0|1,0,0]=3 3336 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [0,2,0,0,0,0|1,0,0]=3 3337 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [0,2,0,0,0,0|1,0,0]=3 3338 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [0,2,0,0,0,0|1,0,0]=3 3339 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [0,2,0,0,0,0|1,0,0]=3 3340 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [0,2,0,0,0,0|1,0,0]=3 3341 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [0,2,0,0,0,0|1,0,0]=3 3342 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [0,2,0,0,0,0|1,0,0]=3 3343 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [0,2,0,0,0,0|1,0,0]=3 3344 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [0,2,0,0,0,0|1,0,0]=3 3345 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [0,2,0,0,0,0|1,0,0]=3 3346 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [0,2,0,0,0,0|1,0,0]=3 3347 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [0,2,0,0,0,0|1,0,0]=3 3348 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [0,2,0,0,0,0|1,0,0]=3 3349 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [0,2,0,0,0,0|1,0,0]=3 3350 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [0,2,0,0,0,0|1,0,0]=3 3351 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [0,2,0,0,0,0|1,0,0]=3 3352 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [0,2,0,0,0,0|1,0,0]=3 3353 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [0,2,0,0,0,0|1,0,0]=3 3354 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [0,2,0,0,0,0|1,0,0]=3 3355 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [0,2,0,0,0,0|1,0,0]=3 3356 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [0,2,0,0,0,0|1,0,0]=3 3357 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [0,2,0,0,0,0|0,0,0]=2 3358 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [0,2,0,0,0,0|0,0,0]=2 3359 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [0,2,0,0,0,0|0,0,0]=2 3360 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [0,2,0,0,0,0|0,0,0]=2 3361 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [0,2,0,0,0,0|0,0,0]=2 3362 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [0,2,0,0,0,0|0,0,0]=2 3363 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [0,2,0,0,0,0|1,0,1]=4 3364 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [0,2,0,0,0,0|0,0,0]=2 3365 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [0,2,0,0,0,0|0,0,0]=2 3366 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [0,2,0,0,0,0|1,0,0]=3 3367 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [0,2,0,0,0,0|1,0,0]=3 3368 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [0,2,0,0,0,0|1,0,0]=3 3369 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [0,2,0,0,0,0|1,0,0]=3 3370 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [0,2,0,0,0,0|1,0,1]=4 3371 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O MCULE-3468296516 [0,2,0,0,0,0|2,0,0]=4 3372 B9R0.47 [N-]=[N+]=NCC[C@@H]([NH3+])C(=O)O MCULE-9960871536 [0,2,0,0,0,0|2,0,0]=4 3373 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-3922595405 [0,2,0,0,0,0|2,0,0]=4 3374 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-4625957807 [0,2,0,0,0,0|2,0,0]=4 3375 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-5294285117 [0,2,0,0,0,0|2,0,0]=4 3376 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-6236286481 [0,2,0,0,0,0|2,0,0]=4 3377 B9R0.47 [N-]=[N+]=NCC[C@H](O)C(=O)O MCULE-6077907887 [0,2,0,0,0,0|2,0,0]=4 3378 B9R0.47 [N-]=[N+]=NCC[C@H]([NH3+])C(=O)O MCULE-9804764124 [0,2,0,0,0,0|2,0,0]=4 3379 B9R0.47 [NH3+][C@@H](CSCCO)C(=O)[O-] MCULE-6668183133 [0,2,0,0,0,0|0,0,1]=3 3380 B9R0.50 CCN(CCCCO)N=O MCULE-6791581038 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [0,2,0,0,0,0|1,0,0]=3 3382 B9R0.2 C=CCCCCCC(=O)C MCULE-7133840219 [0,2,0,0,0,0|2,0,0]=4 3383 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [0,2,0,0,0,0|1,0,0]=3 3384 B9R0.2 C=CCCCCOC(=O)C MCULE-4254881456 [0,2,0,0,0,0|2,0,0]=4 3385 B9R0.2 C=CCOCCCC(=O)O MCULE-5276221892 [0,2,0,0,0,0|1,0,0]=3 3386 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [0,2,0,0,0,0|2,0,0]=4 3387 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [0,2,0,0,0,0|2,0,0]=4 3388 B9R0.2 CC(=O)NCCCCCCl MCULE-9253955715 [0,2,0,0,0,0|2,0,0]=4 3389 B9R0.2 CC(=O)NCCCCCN MCULE-6340089295 [0,2,0,0,0,0|2,0,0]=4 3390 B9R0.2 CC(=O)NCCCCCN MCULE-9533682248 [0,2,0,0,0,0|2,0,0]=4 3391 B9R0.2 CC(=O)NCCOCCBr MCULE-2348291899 [0,2,0,0,0,0|2,0,0]=4 3392 B9R0.2 CC(=O)NCCOCCO MCULE-4601425982 [0,2,0,0,0,0|1,0,0]=3 3393 B9R0.2 CC(=O)OCCCCCBr MCULE-2710815321 [0,2,0,0,0,0|2,0,0]=4 3394 B9R0.2 CC(=O)OCCCCCCl MCULE-4259346820 [0,2,0,0,0,0|2,0,0]=4 3395 B9R0.2 CC(=O)OCCOCCCl MCULE-6641386197 [0,2,0,0,0,0|2,0,0]=4 3396 B9R0.2 CC(=O)OCCOCCO MCULE-1731179198 [0,2,0,0,0,0|1,0,0]=3 3397 B9R0.2 CC(=O)SCCCCC#N MCULE-7251511964 [0,2,0,0,0,0|2,0,0]=4 3398 B9R0.2 CC(=O)SCCCCCBr MCULE-3706830993 [0,2,0,0,0,0|2,0,0]=4 3399 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [0,2,0,0,0,0|1,0,0]=3 3400 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [0,2,0,0,0,0|1,0,0]=3 3401 B9R0.2 CCCCC#CCC(=O)O MCULE-2685341100 [0,2,0,0,0,0|1,0,0]=3 3402 B9R0.2 CCCCC/C=C/C(=O)C MCULE-4810438787 [0,2,0,0,0,0|2,0,0]=4 3403 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [0,2,0,0,0,0|1,0,0]=3 3404 B9R0.2 CCCCC=CCC(=O)N MCULE-7054762763 [0,2,0,0,0,0|2,0,0]=4 3405 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [0,2,0,0,0,0|1,0,0]=3 3406 B9R0.2 CCCCCC#CC(=O)O MCULE-1860076106 [0,2,0,0,0,0|1,0,0]=3 3407 B9R0.2 CCCCCC=CC(=O)C MCULE-2447853309 [0,2,0,0,0,0|2,0,0]=4 3408 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [0,2,0,0,0,0|1,0,0]=3 3409 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [0,2,0,0,0,0|2,0,0]=4 3410 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [0,2,0,0,0,0|2,0,0]=4 3411 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [0,2,0,0,0,0|2,0,0]=4 3412 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [0,2,0,0,0,0|1,0,0]=3 3413 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [0,2,0,0,0,0|1,0,1]=4 3414 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [0,2,0,0,0,0|1,0,1]=4 3415 B9R0.2 CCCCCCNC(=O)N MCULE-4236638652 [0,2,0,0,0,0|2,0,0]=4 3416 B9R0.2 CCCCCCOC(=O)C MCULE-7353613022 [0,2,0,0,0,0|2,0,0]=4 3417 B9R0.2 CCCCCCOC(=O)Cl MCULE-3135055168 [0,2,0,0,0,0|2,0,0]=4 3418 B9R0.2 CCCCCCOC(=O)N MCULE-3909923308 [0,2,0,0,0,0|2,0,0]=4 3419 B9R0.2 CCCCCNCC(=O)N MCULE-1817354788 [0,2,0,0,0,0|2,0,0]=4 3420 B9R0.2 CCCCCNCC(=O)N MCULE-5558188497 [0,2,0,0,0,0|2,0,0]=4 3421 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [0,2,0,0,0,0|1,0,0]=3 3422 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [0,2,0,0,0,0|1,0,0]=3 3423 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [0,2,0,0,0,0|1,0,0]=3 3424 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [0,2,0,0,0,0|1,0,0]=3 3425 B9R0.2 CCCOCCOC(=O)Cl MCULE-3909524059 [0,2,0,0,0,0|2,0,0]=4 3426 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [0,2,0,0,0,0|1,0,0]=3 3427 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [0,2,0,0,0,0|1,0,0]=3 3428 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [0,2,0,0,0,0|1,0,0]=3 3429 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [0,2,0,0,0,0|0,0,0]=2 3430 B9R0.2 CCOCCOCC(=O)O MCULE-2273372397 [0,2,0,0,0,0|1,0,0]=3 3431 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [0,2,0,0,0,0|1,0,0]=3 3432 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [0,2,0,0,0,0|1,0,0]=3 3433 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [0,2,0,0,0,0|0,0,0]=2 3434 B9R0.2 COCCCCOC(=O)C MCULE-4352807618 [0,2,0,0,0,0|1,0,0]=3 3435 B9R0.2 COCCCOCC(=O)O MCULE-7774967166 [0,2,0,0,0,0|0,0,0]=2 3436 B9R0.2 COCCNCCC(=O)N MCULE-2441989659 [0,2,0,0,0,0|1,0,0]=3 3437 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [0,2,0,0,0,0|0,0,0]=2 3438 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [0,2,0,0,0,0|0,0,0]=2 3439 B9R0.2 COCCOCCC(=S)N MCULE-1239470064 [0,2,0,0,0,0|1,1,0]=4 3440 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [0,2,0,0,0,0|0,1,0]=3 3441 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [0,2,0,0,0,0|1,0,0]=3 3442 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [0,2,0,0,0,0|1,0,0]=3 3443 B9R0.2 N#CCCNCCC(=O)O MCULE-5749626028 [0,2,0,0,0,0|1,0,0]=3 3444 B9R0.2 N#N=NCCCCC(=O)O MCULE-6676414217 [0,2,0,0,0,0|1,0,0]=3 3445 B9R0.2 N#N=NCCOCC(=O)O MCULE-7862025452 [0,2,0,0,0,0|2,0,0]=4 3446 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [0,2,0,0,0,0|1,0,0]=3 3447 B9R0.2 NC(=O)CCNCCCO MCULE-1089880795 [0,2,0,0,0,0|1,0,0]=3 3448 B9R0.2 NC(=O)CCNCCCO MCULE-8808474432 [0,2,0,0,0,0|1,0,0]=3 3449 B9R0.2 NC(=O)NCCOCCO MCULE-5514708038 [0,2,0,0,0,0|1,0,0]=3 3450 B9R0.2 NCCCCCCC(=O)N MCULE-9587339996 [0,2,0,0,0,0|2,0,0]=4 3451 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [0,2,0,0,0,0|1,0,0]=3 3452 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [0,2,0,0,0,0|1,0,0]=3 3453 B9R0.2 NCCSSCCC(=O)O MCULE-2378332819 [0,2,0,0,0,0|1,0,0]=3 3454 B9R0.2 NCCSSCCC(=O)O MCULE-4249865017 [0,2,0,0,0,0|1,0,0]=3 3455 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [0,2,0,0,0,0|0,0,0]=2 3456 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [0,2,0,0,0,0|0,0,0]=2 3457 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [0,2,0,0,0,0|0,0,0]=2 3458 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [0,2,0,0,0,0|1,0,0]=3 3459 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [0,2,0,0,0,0|1,0,0]=3 3460 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [0,2,0,0,0,0|0,0,0]=2 3461 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [0,2,0,0,0,0|0,1,0]=3 3462 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [0,2,0,0,0,0|0,0,0]=2 3463 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [0,2,0,0,0,0|0,0,0]=2 3464 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [0,2,0,0,0,0|0,0,1]=3 3465 B9R0.2 O=N(=O)CCCCCCO MCULE-4612254871 [0,2,0,0,0,0|1,0,1]=4 3466 B9R0.38 CCCCCCP(=O)(O)O MCULE-9622755834 [0,2,0,0,0,0|2,0,0]=4 3467 B9R0.38 CCCCCCS(=O)(=O)O MCULE-4883139983 [0,2,0,0,0,0|2,0,0]=4 3468 B9R0.38 CCCCNCP(=O)(C)O MCULE-4370254909 [0,2,0,0,0,0|2,0,0]=4 3469 B9R0.38 COCCCCS(=O)(=O)Cl MCULE-8368773920 [0,2,0,0,0,0|1,0,1]=4 3470 B9R0.38 COCCCCS(=O)(=O)N MCULE-1695820650 [0,2,0,0,0,0|1,0,1]=4 3471 B9R0.38 CS(=O)(=O)CCCCCO MCULE-8167550516 [0,2,0,0,0,0|1,0,1]=4 3472 B9R0.38 NCCCCCS(=O)(=O)O MCULE-7296557430 [0,2,0,0,0,0|2,0,0]=4 3473 B9R0.38 NCCNCCS(=O)(=O)O MCULE-1404556880 [0,2,0,0,0,0|2,0,0]=4 3474 B9R0.38 O=P(O)(O)CCOCCCl MCULE-4452895182 [0,2,0,0,0,0|2,0,0]=4 3475 B9R0.38 O=S(=O)(F)CCOCCO MCULE-3105796249 [0,2,0,0,0,0|1,0,1]=4 3476 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [0,2,0,0,0,0|2,0,0]=4 3477 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,2,0,0,0,0|1,0,0]=3 3478 B9R0.48 CCCC(=O)NCC(=O)O MCULE-1331310812 [0,2,0,0,0,0|1,0,1]=4 3479 B9R0.48 CCCC(C)CCC(=O)C MCULE-1446034135 [0,2,0,0,0,0|2,0,0]=4 3480 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,2,0,0,0,0|1,0,0]=3 3481 B9R0.48 CCCC(C)COC(=O)C MCULE-3322580373 [0,2,0,0,0,0|2,0,0]=4 3482 B9R0.48 CCCC(C)COC(=O)Cl MCULE-1504594923 [0,2,0,0,0,0|2,0,0]=4 3483 B9R0.48 CCCC(Cl)CCC(=O)Cl MCULE-1887322362 [0,2,0,0,0,0|2,0,0]=4 3484 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [0,2,0,0,0,0|1,0,0]=3 3485 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [0,2,0,0,0,0|1,0,0]=3 3486 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [0,2,0,0,0,0|1,0,0]=3 3487 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [0,2,0,0,0,0|1,0,0]=3 3488 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [0,2,0,0,0,0|1,0,1]=4 3489 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [0,2,0,0,0,0|1,0,1]=4 3490 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [0,2,0,0,0,0|0,0,0]=2 3491 B9R0.48 COCC(=O)NCC(=O)O MCULE-2679622476 [0,2,0,0,0,0|1,0,1]=4 3492 B9R0.48 COCC(C)NCC(=O)O MCULE-1388451631 [0,2,0,0,0,0|1,0,0]=3 3493 B9R0.48 COCC(C)NCC(=O)O MCULE-8506123448 [0,2,0,0,0,0|1,0,0]=3 3494 B9R0.48 N#CCC(=O)CCC(=O)O MCULE-9068617053 [0,2,0,0,0,0|1,0,1]=4 3495 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [0,2,0,0,0,0|1,0,1]=4 3496 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [0,2,0,0,0,0|1,0,1]=4 3497 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [0,2,0,0,0,0|1,0,0]=3 3498 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,2,0,0,0,0|1,0,0]=3 3499 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [0,2,0,0,0,0|1,0,0]=3 3500 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,2,0,0,0,0|1,0,1]=4 3501 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,2,0,0,0,0|1,0,1]=4 3502 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,2,0,0,0,0|0,0,1]=3 3503 B9R0.55 CC(=O)CCCCC(C)C MCULE-8847308651 [0,2,0,0,0,0|2,0,0]=4 3504 B9R0.55 CC(=O)CCCCN(C)C MCULE-4549437072 [0,2,0,0,0,0|2,0,0]=4 3505 B9R0.55 CC(=O)CCOCC(C)C MCULE-8673860656 [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,2,0,0,0,0|0,0,2]=4 3507 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,2,0,0,0,0|0,0,2]=4 3508 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,2,0,0,0,0|0,0,2]=4 3509 B9R0.55 CC(C)C=CCCC(=O)O MCULE-4916288990 [0,2,0,0,0,0|1,0,1]=4 3510 B9R0.55 CC(C)CCCCC(=O)N MCULE-5796308812 [0,2,0,0,0,0|2,0,0]=4 3511 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,2,0,0,0,0|1,0,0]=3 3512 B9R0.55 CC(C)CCOCC(=O)O MCULE-8263995178 [0,2,0,0,0,0|1,0,0]=3 3513 B9R0.55 CC(C)CCSCC(=O)O MCULE-6718693744 [0,2,0,0,0,0|1,0,0]=3 3514 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,2,0,0,0,0|1,0,0]=3 3515 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,2,0,0,0,0|1,0,0]=3 3516 B9R0.55 CC(C)COCCC(=O)O MCULE-6429199224 [0,2,0,0,0,0|1,0,0]=3 3517 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [0,2,0,0,0,0|1,0,0]=3 3518 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [0,2,0,0,0,0|1,0,0]=3 3519 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [0,2,0,0,0,0|1,0,0]=3 3520 B9R0.55 CC(C)OCCCC(=O)O MCULE-8577811101 [0,2,0,0,0,0|1,0,0]=3 3521 B9R0.55 CC(C)SCCCC(=O)O MCULE-7082519548 [0,2,0,0,0,0|1,0,0]=3 3522 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,2,0,0,0,0|1,0,0]=3 3523 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,2,0,0,0,0|1,0,0]=3 3524 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,2,0,0,0,0|1,0,0]=3 3525 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,2,0,0,0,0|1,0,0]=3 3526 B9R0.55 CN(C)CCNCC(=O)O MCULE-6551648059 [0,2,0,0,0,0|2,0,0]=4 3527 B9R0.55 CN(C)CCNCC(=O)O MCULE-7040720736 [0,2,0,0,0,0|2,0,0]=4 3528 B9R0.55 CN(C)CCOCC(=O)O MCULE-6117066964 [0,2,0,0,0,0|2,0,0]=4 3529 B9R0.55 CN(C)CCSCC(=O)O MCULE-5970767298 [0,2,0,0,0,0|2,0,0]=4 3530 B9R0.55 CN(C)CCSCC(=O)O MCULE-6364036095 [0,2,0,0,0,0|2,0,0]=4 3531 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,2,0,0,0,0|1,0,1]=4 3532 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [0,2,0,0,0,0|1,0,1]=4 3533 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,2,0,0,0,0|0,0,1]=3 3534 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,2,0,0,0,0|0,0,2]=4 3535 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,2,0,0,0,0|0,0,2]=4 3536 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [0,2,0,0,0,0|1,0,1]=4 3537 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,2,0,0,0,0|0,0,2]=4 3538 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [0,2,0,0,0,0|0,0,2]=4 3539 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,2,0,0,0,0|0,0,2]=4 3540 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [0,2,0,0,0,0|0,0,2]=4 3541 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,2,0,0,0,0|0,0,0]=2 3542 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,2,0,0,0,0|0,0,0]=2 3543 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,2,0,0,0,0|0,0,0]=2 3544 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,2,0,0,0,0|0,0,0]=2 3545 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,2,0,0,0,0|0,0,0]=2 3546 B9R0.55 O=C(O)CCCCC(F)F MCULE-4491962830 [0,2,0,0,0,0|1,0,0]=3 3547 B9R0.55 O=C(O)CCOCC(F)F MCULE-5247096062 [0,2,0,0,0,0|1,0,0]=3 3548 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [0,2,0,0,0,0|1,0,1]=4 3549 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,2,0,0,0,0|1,0,1]=4 3550 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,2,0,0,0,0|1,0,1]=4 3551 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,2,0,0,0,0|0,0,1]=3 3552 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,2,0,0,0,0|0,0,1]=3 3553 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,2,0,0,0,0|0,0,1]=3 3554 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [0,2,0,0,0,0|0,0,2]=4 3555 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [0,2,0,0,0,0|0,0,2]=4 3556 B9R0.3 CCCCC(N)P(=O)(O)O MCULE-6746003648 [0,2,0,0,0,0|2,0,0]=4 3557 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,2,0,0,0,0|0,0,2]=4 3558 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,2,0,0,0,0|0,0,2]=4 3559 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,2,0,0,0,0|0,0,2]=4 3560 B9R0.7 CC(C)C(=O)CCC(=O)O MCULE-9072643820 [0,2,0,0,0,0|1,0,1]=4 3561 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,2,0,0,0,0|1,0,0]=3 3562 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,2,0,0,0,0|1,0,0]=3 3563 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,2,0,0,0,0|1,0,0]=3 3564 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,2,0,0,0,0|1,0,0]=3 3565 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,2,0,0,0,0|1,0,0]=3 3566 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,2,0,0,0,0|1,0,0]=3 3567 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,2,0,0,0,0|1,0,0]=3 3568 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,2,0,0,0,0|1,0,0]=3 3569 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,2,0,0,0,0|1,0,0]=3 3570 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,2,0,0,0,0|1,0,0]=3 3571 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,2,0,0,0,0|1,0,0]=3 3572 B9R0.7 CC(C)COC(C)C(=O)O MCULE-1125012565 [0,2,0,0,0,0|2,0,0]=4 3573 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-1211739557 [0,2,0,0,0,0|2,0,0]=4 3574 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-7992959591 [0,2,0,0,0,0|2,0,0]=4 3575 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [0,2,0,0,0,0|2,0,0]=4 3576 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,2,0,0,0,0|2,0,0]=4 3577 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,2,0,0,0,0|0,0,1]=3 3578 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,2,0,0,0,0|0,0,1]=3 3579 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-5148332124 [0,2,0,0,0,0|2,0,0]=4 3580 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-6459126538 [0,2,0,0,0,0|2,0,0]=4 3581 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,2,0,0,0,0|2,0,0]=4 3582 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,2,0,0,0,0|2,0,0]=4 3583 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,2,0,0,0,0|1,0,1]=4 3584 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,2,0,0,0,0|1,0,1]=4 3585 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,2,0,0,0,0|1,0,1]=4 3586 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,2,0,0,0,0|2,0,0]=4 3587 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,2,0,0,0,0|2,0,0]=4 3588 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,2,0,0,0,0|2,0,0]=4 3589 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,2,0,0,0,0|2,0,0]=4 3590 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,2,0,0,0,0|1,0,1]=4 3591 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,2,0,0,0,0|1,0,1]=4 3592 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,2,0,0,0,0|1,0,1]=4 3593 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,2,0,0,0,0|1,0,1]=4 3594 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,2,0,0,0,0|1,0,1]=4 3595 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,2,0,0,0,0|1,0,1]=4 3596 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,2,0,0,0,0|0,0,1]=3 3597 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,2,0,0,0,0|0,0,1]=3 3598 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,2,0,0,0,0|0,0,1]=3 3599 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,2,0,0,0,0|1,0,1]=4 3600 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,2,0,0,0,0|1,0,1]=4 3601 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,2,0,0,0,0|1,0,1]=4 3602 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,2,0,0,0,0|2,0,0]=4 3603 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,2,0,0,0,0|2,0,0]=4 3604 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,2,0,0,0,0|2,0,0]=4 3605 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,2,0,0,0,0|2,0,0]=4 3606 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,2,0,0,0,0|2,0,0]=4 3608 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,2,0,0,0,0|2,0,0]=4 3609 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,2,0,0,0,0|2,0,0]=4 3610 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,2,0,0,0,0|2,0,0]=4 3611 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,2,0,0,0,0|2,0,0]=4 3612 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,2,0,0,0,0|2,0,0]=4 3613 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,2,0,0,0,0|2,0,0]=4 3614 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,2,0,0,0,0|2,0,0]=4 3615 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,2,0,0,0,0|2,0,0]=4 3616 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,2,0,0,0,0|0,0,2]=4 3617 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,2,0,0,0,0|0,0,2]=4 3618 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,2,0,0,0,0|0,0,2]=4 3619 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,2,0,0,0,0|0,0,2]=4 3620 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,2,0,0,0,0|0,0,2]=4 3621 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,2,0,0,0,0|0,0,2]=4 3622 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,2,0,0,0,0|0,0,2]=4 3623 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,2,0,0,0,0|0,0,2]=4 3624 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,2,0,0,0,0|0,0,2]=4 3625 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,2,0,0,0,0|0,0,2]=4 3626 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,2,0,0,0,0|0,0,2]=4 3627 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,2,0,0,0,0|0,0,2]=4 3628 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,2,0,0,0,0|0,0,2]=4 3629 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,2,0,0,0,0|0,0,1]=3 3630 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,2,0,0,0,0|0,0,1]=3 3631 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,2,0,0,0,0|0,0,1]=3 3632 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,2,0,0,0,0|0,0,2]=4 3633 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,2,0,0,0,0|0,0,1]=3 3634 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,2,0,0,0,0|0,0,1]=3 3635 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,2,0,0,0,0|0,0,1]=3 3636 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,2,0,0,0,0|0,0,1]=3 3637 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,2,0,0,0,0|0,0,1]=3 3638 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,2,0,0,0,0|0,0,2]=4 3639 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,2,0,0,0,0|0,0,0]=2 3640 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,2,0,0,0,0|0,0,2]=4 3641 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,2,0,0,0,0|0,0,2]=4 3642 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,2,0,0,0,0|0,0,1]=3 3643 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,2,0,0,0,0|0,0,1]=3 3644 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,2,0,0,0,0|0,0,2]=4 3645 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,2,0,0,0,0|0,0,1]=3 3646 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,2,0,0,0,0|0,0,1]=3 3647 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,2,0,0,0,0|0,0,1]=3 3648 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,2,0,0,0,0|0,0,1]=3 3649 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,2,0,0,0,0|0,0,1]=3 3650 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,2,0,0,0,0|0,0,1]=3 3651 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,2,0,0,0,0|0,0,1]=3 3652 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,2,0,0,0,0|0,0,1]=3 3653 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,2,0,0,0,0|1,0,0]=3 3654 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,2,0,0,0,0|0,0,2]=4 3655 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,2,0,0,0,0|0,0,1]=3 3656 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,2,0,0,0,0|1,0,1]=4 3657 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,2,0,0,0,0|0,0,1]=3 3658 B9R0.13 C=CCCC(CC)C(=O)O MCULE-6019823383 [0,2,0,0,0,0|1,0,1]=4 3659 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [0,2,0,0,0,0|2,0,0]=4 3660 B9R0.13 CCC(OCCO)C(=O)O MCULE-6934668694 [0,2,0,0,0,0|1,0,0]=3 3661 B9R0.13 CCCCC(CC)C(=O)C MCULE-6594996935 [0,2,0,0,0,0|2,0,0]=4 3662 B9R0.13 CCCCC(CC)C(=O)Cl MCULE-5129133966 [0,2,0,0,0,0|2,0,0]=4 3663 B9R0.13 CCCCC(CC)C(=O)N MCULE-6741704780 [0,2,0,0,0,0|2,0,0]=4 3664 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [0,2,0,0,0,0|1,0,0]=3 3665 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6405828438 [0,2,0,0,0,0|1,0,1]=4 3666 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6841285360 [0,2,0,0,0,0|1,0,1]=4 3667 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-9345456808 [0,2,0,0,0,0|1,0,1]=4 3668 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [0,2,0,0,0,0|1,0,0]=3 3669 B9R0.13 CCCCC(CO)C(=O)C MCULE-8991511326 [0,2,0,0,0,0|2,0,0]=4 3670 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [0,2,0,0,0,0|1,0,0]=3 3671 B9R0.13 CCCCC(NC)C(=O)N MCULE-5960268514 [0,2,0,0,0,0|2,0,0]=4 3672 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [0,2,0,0,0,0|1,0,0]=3 3673 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [0,2,0,0,0,0|1,0,0]=3 3674 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [0,2,0,0,0,0|1,0,0]=3 3675 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [0,2,0,0,0,0|1,0,0]=3 3676 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [0,2,0,0,0,0|1,0,0]=3 3677 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [0,2,0,0,0,0|1,0,0]=3 3678 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [0,2,0,0,0,0|1,0,0]=3 3679 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [0,2,0,0,0,0|1,0,0]=3 3680 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [0,2,0,0,0,0|1,0,0]=3 3681 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [0,2,0,0,0,0|1,0,0]=3 3682 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [0,2,0,0,0,0|1,0,0]=3 3683 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [0,2,0,0,0,0|1,0,0]=3 3684 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [0,2,0,0,0,0|1,0,0]=3 3685 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [0,2,0,0,0,0|1,0,0]=3 3686 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [0,2,0,0,0,0|1,0,0]=3 3687 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [0,2,0,0,0,0|1,0,0]=3 3688 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [0,2,0,0,0,0|2,0,0]=4 3689 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [0,2,0,0,0,0|2,0,0]=4 3690 B9R0.13 COC(CCSC)C(=O)O MCULE-2968161259 [0,2,0,0,0,0|2,0,0]=4 3691 B9R0.13 CSCCC(N=[Se])C(=O)O MCULE-9506566313 [0,2,0,0,0,0|2,0,0]=4 3692 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,2,0,0,0,0|0,0,0]=2 3693 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,2,0,0,0,0|1,0,1]=4 3694 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,2,0,0,0,0|1,0,1]=4 3695 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,2,0,0,0,0|1,0,0]=3 3696 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,2,0,0,0,0|1,0,0]=3 3697 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,2,0,0,0,0|1,0,0]=3 3698 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [0,2,0,0,0,0|2,0,0]=4 3699 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [0,2,0,0,0,0|2,0,0]=4 3700 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,2,0,0,0,0|1,0,1]=4 3701 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,2,0,0,0,0|1,0,1]=4 3702 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,2,0,0,0,0|1,0,1]=4 3703 B9R0.51 C=CCCC(C)(C)C(=O)O MCULE-1492058519 [0,2,0,0,0,0|1,0,1]=4 3704 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [0,2,0,0,0,0|1,0,1]=4 3705 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [0,2,0,0,0,0|1,0,1]=4 3706 B9R0.51 CC(C)(CCC#N)C(=O)O MCULE-6179801954 [0,2,0,0,0,0|1,0,1]=4 3707 B9R0.51 CC(C)(CCCO)C(=O)O MCULE-8432032551 [0,2,0,0,0,0|0,0,0]=2 3708 B9R0.51 CC(C)(CCCO)C(=O)[O-] MCULE-7948640149 [0,2,0,0,0,0|0,0,1]=3 3709 B9R0.51 CC(C)(CCCO)N(=O)=O MCULE-4575671330 [0,2,0,0,0,0|1,0,1]=4 3710 B9R0.51 CC(C)(OCCO)C(=O)O MCULE-7350629526 [0,2,0,0,0,0|1,0,0]=3 3711 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [0,2,0,0,0,0|1,0,0]=3 3712 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [0,2,0,0,0,0|1,0,0]=3 3713 B9R0.51 CCCCC(C)(C)C(=O)C MCULE-3392309275 [0,2,0,0,0,0|2,0,0]=4 3714 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [0,2,0,0,0,0|1,0,0]=3 3715 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [0,2,0,0,0,0|1,0,0]=3 3716 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [0,2,0,0,0,0|1,0,0]=3 3717 B9R0.51 CCCCC(F)(F)C(=O)O MCULE-3383573238 [0,2,0,0,0,0|1,0,0]=3 3718 B9R0.51 CCOCC(C)(C)C(=O)O MCULE-3248915686 [0,2,0,0,0,0|2,0,0]=4 3719 B9R0.51 COCCC(C)(C)C(=O)O MCULE-6792174270 [0,2,0,0,0,0|2,0,0]=4 3720 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [0,2,0,0,0,0|2,0,0]=4 3721 B9R0.21 O=P(O)(O)OCC(O)CO MCULE-1053997818 [0,2,0,0,0,0|2,0,0]=4 3722 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-1337563082 [0,2,0,0,0,0|2,0,0]=4 3723 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-2982304745 [0,2,0,0,0,0|2,0,0]=4 3724 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-9577432755 [0,2,0,0,0,0|2,0,0]=4 3725 B9R0.43 CCC(CC)CCC(=O)O MCULE-3619246107 [0,2,0,0,0,0|1,0,0]=3 3726 B9R0.43 CCC(CC)OCC(=O)O MCULE-1363431600 [0,2,0,0,0,0|2,0,0]=4 3727 B9R0.43 CCC(CO)CCC(=O)C MCULE-7352596779 [0,2,0,0,0,0|1,0,0]=3 3728 B9R0.43 CCC(CO)CCC(C)O MCULE-3799427279 [0,2,0,0,0,0|1,0,1]=4 3729 B9R0.43 CCN(CC)CCC(=O)O MCULE-3198217857 [0,2,0,0,0,0|2,0,0]=4 3730 B9R0.43 CCN(CC)CCC(=O)O MCULE-7749215074 [0,2,0,0,0,0|2,0,0]=4 3731 B9R0.64 CC(C)(C#N)CCC(=O)O MCULE-9778482265 [0,2,0,0,0,0|1,0,1]=4 3732 B9R0.64 CC(C)(CO)COC(=O)N MCULE-1642548295 [0,2,0,0,0,0|2,0,0]=4 3733 B9R0.64 CCC(C)(C)OCC(=O)O MCULE-6870018986 [0,2,0,0,0,0|2,0,0]=4 3734 B9R0.64 CCS(=O)(=O)CCC(=O)O MCULE-6074163165 [0,2,0,0,0,0|2,0,0]=4 3735 B9R0.64 NCP(=O)(O)CCC(=O)O MCULE-8895842344 [0,2,0,0,0,0|2,0,0]=4 3736 B9R0.56 CC(=O)CCCC(F)(F)F MCULE-9202950051 [0,2,0,0,0,0|2,0,0]=4 3737 B9R0.56 CC(C)(C)CCCC(=O)O MCULE-2659832762 [0,2,0,0,0,0|1,0,0]=3 3738 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-1268208354 [0,2,0,0,0,0|2,0,0]=4 3739 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-5430860345 [0,2,0,0,0,0|2,0,0]=4 3740 B9R0.56 CC(C)(C)OCCC(=O)O MCULE-2627981612 [0,2,0,0,0,0|2,0,0]=4 3741 B9R0.56 CC(C)(C)SCCC(=O)O MCULE-3380271202 [0,2,0,0,0,0|2,0,0]=4 3742 B9R0.56 CC(C)(N)COCC(=O)O MCULE-6736911202 [0,2,0,0,0,0|2,0,0]=4 3743 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [0,2,0,0,0,0|1,0,1]=4 3744 B9R0.56 C[N+](C)(C)CCCC(=O)O MCULE-2639547018 [0,2,0,0,0,0|2,0,0]=4 3745 B9R0.56 C[Si](C)(C)CCCC(=O)O MCULE-6750746548 [0,2,0,0,0,0|1,1,0]=4 3746 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [0,2,0,0,0,0|1,0,1]=4 3747 B9R0.56 O=C(O)CCCC(F)(F)F MCULE-4498764296 [0,2,0,0,0,0|1,0,0]=3 3748 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [0,2,0,0,0,0|1,0,0]=3 3749 B9R0.56 O=C(O)CCOC(F)(F)F MCULE-7295065440 [0,2,0,0,0,0|2,0,0]=4 3750 B9R0.56 O=C(O)CCSC(F)(F)F MCULE-2493939273 [0,2,0,0,0,0|2,0,0]=4 3751 B9R0.56 O=C(O)CNCC(F)(F)F MCULE-4901432382 [0,2,0,0,0,0|2,0,0]=4 3752 B9R0.56 O=C(O)CNCC(F)(F)F MCULE-8079486959 [0,2,0,0,0,0|2,0,0]=4 3753 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [0,2,0,0,0,0|2,0,0]=4 3754 B9R0.56 O=C(O)COCC(F)(F)F MCULE-6589267358 [0,2,0,0,0,0|2,0,0]=4 3755 B9R0.56 O=C(O)CSCC(F)(F)F MCULE-1069362302 [0,2,0,0,0,0|2,0,0]=4 3756 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [1,0,0,1,0,0|2,0,0]=4 3757 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [1,0,0,1,0,0|2,0,0]=4 3758 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [1,0,0,1,0,0|0,0,2]=4 3759 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,0,0,1,0,0|1,0,1]=4 3760 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,0,0,1,0,0|0,0,2]=4 3761 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,0,0,1,0,0|0,0,2]=4 3762 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [1,0,0,1,0,0|2,0,0]=4 3763 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [1,0,0,1,0,0|0,0,2]=4 3764 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [1,0,0,1,0,0|2,0,0]=4 3765 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [1,0,0,1,0,0|2,0,0]=4 3766 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [1,0,0,1,0,0|2,0,0]=4 3767 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [1,0,0,1,0,0|2,0,0]=4 3768 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,0,0,1,0,0|1,0,0]=3 3769 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [1,0,0,1,0,0|1,0,0]=3 3770 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [1,0,0,1,0,0|1,0,0]=3 3771 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,0,0,1,0,0|0,0,0]=2 3772 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [1,0,0,1,0,0|1,0,1]=4 3773 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [1,0,0,1,0,0|1,0,1]=4 3774 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [1,0,0,1,0,0|2,0,0]=4 3775 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [1,0,0,1,0,0|2,0,0]=4 3776 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [1,0,0,1,0,0|2,0,0]=4 3777 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [1,0,0,1,0,0|2,0,0]=4 3778 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|1,0,0]=3 3779 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [1,0,0,1,0,0|2,0,0]=4 3780 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [1,0,0,1,0,0|2,0,0]=4 3781 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [1,0,0,1,0,0|1,0,0]=3 3782 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [1,0,0,1,0,0|2,0,0]=4 3783 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [1,0,0,1,0,0|1,1,0]=4 3784 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [1,0,0,1,0,0|2,0,0]=4 3785 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [1,0,0,1,0,0|2,0,0]=4 3786 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [1,0,0,1,0,0|2,0,0]=4 3787 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [1,0,0,1,0,0|2,0,0]=4 3788 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [1,0,0,1,0,0|2,0,0]=4 3789 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [1,0,0,1,0,0|1,0,0]=3 3790 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [1,0,0,1,0,0|1,0,0]=3 3791 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,0,0,1,0,0|0,0,0]=2 3792 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [1,0,0,1,0,0|2,0,0]=4 3793 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [1,0,0,1,0,0|2,0,0]=4 3794 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|1,0,0]=3 3795 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|1,0,0]=3 3796 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [1,0,0,1,0,0|2,0,0]=4 3797 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [1,0,0,1,0,0|2,0,0]=4 3798 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [1,0,0,1,0,0|2,0,0]=4 3799 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [1,0,0,1,0,0|2,0,0]=4 3800 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [1,0,0,1,0,0|1,0,0]=3 3801 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [1,0,0,1,0,0|1,0,0]=3 3802 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [1,0,0,1,0,0|2,0,0]=4 3803 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [1,0,0,1,0,0|2,0,0]=4 3804 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [1,0,0,1,0,0|2,0,0]=4 3805 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [1,0,0,1,0,0|2,0,0]=4 3806 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,0,0,1,0,0|1,0,0]=3 3807 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [1,0,0,1,0,0|1,0,0]=3 3808 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [1,0,0,1,0,0|1,0,0]=3 3809 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,0,0,1,0,0|0,0,0]=2 3810 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [1,0,0,1,0,0|2,0,0]=4 3811 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [1,0,0,1,0,0|2,0,0]=4 3812 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [1,0,0,1,0,0|2,0,0]=4 3813 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [1,0,0,1,0,0|2,0,0]=4 3814 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [1,0,0,1,0,0|2,0,0]=4 3815 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [1,0,0,1,0,0|1,0,0]=3 3816 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [1,0,0,1,0,0|1,0,0]=3 3817 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [1,0,0,1,0,0|2,0,0]=4 3818 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [1,0,0,1,0,0|2,0,0]=4 3819 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [1,0,0,1,0,0|2,0,0]=4 3820 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [1,0,0,1,0,0|2,0,0]=4 3821 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [1,0,0,1,0,0|1,0,1]=4 3822 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [1,0,0,1,0,0|0,0,2]=4 3823 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [1,0,0,1,0,0|2,0,0]=4 3824 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|2,0,0]=4 3825 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|2,0,0]=4 3826 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [1,0,0,1,0,0|0,0,2]=4 3827 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [1,0,0,1,0,0|2,0,0]=4 3828 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [1,0,0,1,0,0|2,0,0]=4 3829 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,0,0,1,0,0|1,0,0]=3 3830 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,0,0,1,0,0|1,0,0]=3 3831 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,0,0,1,0,0|1,0,0]=3 3832 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,0,0,1,0,0|0,0,0]=2 3833 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [1,0,0,1,0,0|2,0,0]=4 3834 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [1,0,0,1,0,0|2,0,0]=4 3835 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|2,0,0]=4 3836 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|2,0,0]=4 3837 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [1,0,0,1,0,0|2,0,0]=4 3838 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [1,0,0,1,0,0|2,0,0]=4 3839 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|2,0,0]=4 3840 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|2,0,0]=4 3841 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [1,0,0,1,0,0|2,0,0]=4 3842 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [1,0,0,1,0,0|2,0,0]=4 3843 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [1,0,0,1,0,0|1,0,1]=4 3844 B7R1.2 OC1CCC(O1)O MCULE-8012370358 [1,0,0,1,0,0|0,0,2]=4 3845 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [1,0,0,1,0,0|1,0,1]=4 3846 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [1,0,0,1,0,0|1,0,1]=4 3847 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [1,0,0,1,0,0|1,0,1]=4 3848 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,0,0,1,0,0|1,0,0]=3 3849 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [1,0,0,1,0,0|1,0,1]=4 3850 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [1,0,0,1,0,0|2,0,0]=4 3851 B7R1.3 BrC1=COCCC1 MCULE-7754503978 [1,0,0,1,0,0|2,0,0]=4 3852 B7R1.3 BrC1CCCCO1 MCULE-3659439382 [1,0,0,1,0,0|1,0,1]=4 3853 B7R1.3 C=C1CCCCC1 MCULE-9812236661 [1,0,0,1,0,0|2,0,0]=4 3854 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [1,0,0,1,0,0|2,0,0]=4 3855 B7R1.3 C=C1CCCOC1 MCULE-5236529273 [1,0,0,1,0,0|2,0,0]=4 3856 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [1,0,0,1,0,0|2,0,0]=4 3857 B7R1.3 CC1CCCCO1 MCULE-4439683294 [1,0,0,1,0,0|1,0,1]=4 3858 B7R1.3 CN1CCCCO1 MCULE-4407617276 [1,0,0,1,0,0|2,0,0]=4 3859 B7R1.3 CN1CCCCO1 MCULE-6297284655 [1,0,0,1,0,0|2,0,0]=4 3860 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [1,0,0,1,0,0|2,0,0]=4 3861 B7R1.3 ClC1CCCCO1 MCULE-3251653488 [1,0,0,1,0,0|1,0,1]=4 3862 B7R1.3 FC1CCCCO1 MCULE-8724227177 [1,0,0,1,0,0|1,0,1]=4 3863 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [1,0,0,1,0,0|2,0,0]=4 3864 B7R1.3 NC1=NCCCC1 MCULE-1020722938 [1,0,0,1,0,0|2,0,0]=4 3865 B7R1.3 NC1=NCCCC1 MCULE-9735306041 [1,0,0,1,0,0|2,0,0]=4 3866 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [1,0,0,1,0,0|2,0,0]=4 3867 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [1,0,0,1,0,0|1,0,1]=4 3868 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [1,0,0,1,0,0|0,0,2]=4 3869 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [1,0,0,1,0,0|1,0,0]=3 3870 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [1,0,0,1,0,0|1,0,0]=3 3871 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [1,0,0,1,0,0|0,0,0]=2 3872 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [1,0,0,1,0,0|0,1,0]=3 3873 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [1,0,0,1,0,0|2,0,0]=4 3874 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [1,0,0,1,0,0|2,0,0]=4 3875 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [1,0,0,1,0,0|1,0,0]=3 3876 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [1,0,0,1,0,0|1,1,0]=4 3877 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [1,0,0,1,0,0|2,0,0]=4 3878 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [1,0,0,1,0,0|2,0,0]=4 3879 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [1,0,0,1,0,0|2,0,0]=4 3880 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [1,0,0,1,0,0|2,0,0]=4 3881 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [1,0,0,1,0,0|2,0,0]=4 3882 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [1,0,0,1,0,0|2,0,0]=4 3883 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [1,0,0,1,0,0|1,0,0]=3 3884 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [1,0,0,1,0,0|1,0,0]=3 3885 B7R1.3 O=C1COCCN1 MCULE-8242898041 [1,0,0,1,0,0|2,0,0]=4 3886 B7R1.3 O=C1COCCO1 MCULE-5754504096 [1,0,0,1,0,0|1,0,0]=3 3887 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [1,0,0,1,0,0|2,0,0]=4 3888 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [1,0,0,1,0,0|2,0,0]=4 3889 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [1,0,0,1,0,0|1,0,0]=3 3890 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [1,0,0,1,0,0|2,0,0]=4 3891 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [1,0,0,1,0,0|1,0,0]=3 3892 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [1,0,0,1,0,0|2,0,0]=4 3893 B7R1.3 O=S1CCCCC1 MCULE-1275253796 [1,0,0,1,0,0|2,0,0]=4 3894 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [1,0,0,1,0,0|2,0,0]=4 3895 B7R1.3 OC1CCCCC1 MCULE-8217921343 [1,0,0,1,0,0|1,0,1]=4 3896 B7R1.3 OC1CCCCN1 MCULE-7168605870 [1,0,0,1,0,0|1,0,1]=4 3897 B7R1.3 OC1CCCCN1 MCULE-9833825308 [1,0,0,1,0,0|1,0,1]=4 3898 B7R1.3 OC1CCCCO1 MCULE-1415784498 [1,0,0,1,0,0|0,0,2]=4 3899 B7R1.3 OC1CCCOC1 MCULE-3820663957 [1,0,0,1,0,0|1,0,1]=4 3900 B7R1.3 OC1CCCOC1 MCULE-4349250540 [1,0,0,1,0,0|1,0,1]=4 3901 B7R1.3 ON1CCCCC1 MCULE-5529301217 [1,0,0,1,0,0|2,0,0]=4 3902 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [1,0,0,1,0,0|1,0,1]=4 3903 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [1,0,0,1,0,0|1,0,1]=4 3904 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [1,0,0,1,0,0|1,0,1]=4 3905 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [1,0,0,1,0,0|1,0,1]=4 3906 B7R1.3 S=C1CCCCC1 MCULE-6072375043 [1,0,0,1,0,0|1,1,0]=4 3907 B7R1.3 S=C1CCCCN1 MCULE-2004608075 [1,0,0,1,0,0|1,1,0]=4 3908 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [1,0,0,1,0,0|1,1,0]=4 3909 B7R1.5 CCCC1ON1C MCULE-8959342998 [1,0,0,1,0,0|2,0,0]=4 3910 B7R1.7 CCCCC1CO1 MCULE-8403189539 [1,0,0,1,0,0|1,0,1]=4 3911 B7R1.10 C=C1CC(C1)CO MCULE-6295731045 [1,0,0,1,0,0|2,0,0]=4 3912 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [1,0,0,1,0,0|1,0,0]=3 3913 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [1,0,0,1,0,0|2,0,0]=4 3914 B7R1.10 CSC1CC(=O)C1 MCULE-4578180421 [1,0,0,1,0,0|2,0,0]=4 3915 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [1,0,0,1,0,0|2,0,0]=4 3916 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [1,0,0,1,0,0|2,0,0]=4 3917 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [1,0,0,1,0,0|2,0,0]=4 3918 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [1,0,0,1,0,0|2,0,0]=4 3919 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [1,0,0,1,0,0|2,0,0]=4 3920 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [1,0,0,1,0,0|2,0,0]=4 3921 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [1,0,0,1,0,0|1,0,0]=3 3922 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [1,0,0,1,0,0|2,0,0]=4 3923 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [1,0,0,1,0,0|1,0,0]=3 3924 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [1,0,0,1,0,0|1,0,0]=3 3925 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [1,0,0,1,0,0|1,0,0]=3 3926 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [1,0,0,1,0,0|1,0,0]=3 3927 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [1,0,0,1,0,0|1,0,0]=3 3928 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [1,0,0,1,0,0|1,0,0]=3 3929 B7R1.10 OCC1CC(C1)O MCULE-3885216336 [1,0,0,1,0,0|1,0,1]=4 3930 B7R1.10 OC[C@H]1C[C@H](C1)O MCULE-2350233032 [1,0,0,1,0,0|1,0,1]=4 3931 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,0,0,1,0,0|0,0,2]=4 3932 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,1,0,0|1,0,0]=3 3933 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,1,0,0|1,0,0]=3 3934 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|0,0,2]=4 3935 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,0,0,1,0,0|1,0,0]=3 3936 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,1,0,0|1,0,0]=3 3937 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|0,0,0]=2 3938 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [1,0,0,1,0,0|2,0,0]=4 3939 B7R1.12 C[C@@H]1C[C@@H]1B(O)O MCULE-4091409950 [1,0,0,1,0,0|1,0,1]=4 3940 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|0,0,0]=2 3941 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|0,0,0]=2 3942 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|0,0,0]=2 3943 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|0,0,0]=2 3944 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|0,0,0]=2 3945 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|0,0,0]=2 3946 B7R1.12 C[C@H]1C[C@H]1B(O)O MCULE-9584013970 [1,0,0,1,0,0|1,0,1]=4 3947 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|0,0,0]=2 3948 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|0,0,0]=2 3949 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|0,0,0]=2 3950 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [1,0,0,1,0,0|2,0,0]=4 3951 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [1,0,0,1,0,0|2,0,0]=4 3952 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,1,0,0|1,0,0]=3 3953 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,1,0,0|1,0,0]=3 3954 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,1,0,0|1,0,0]=3 3955 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,1,0,0|1,0,0]=3 3956 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,1,0,0|1,0,0]=3 3957 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,1,0,0|1,0,0]=3 3958 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,1,0,0|1,0,0]=3 3959 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,1,0,0|1,0,0]=3 3960 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,1,0,0|1,0,0]=3 3961 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,1,0,0|1,0,0]=3 3962 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,1,0,0|1,0,0]=3 3963 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,1,0,0|1,0,0]=3 3964 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,1,0,0|1,0,0]=3 3965 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,1,0,0|1,0,0]=3 3966 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,1,0,0|1,0,0]=3 3967 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,1,0,0|1,0,0]=3 3968 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,1,0,0|1,0,0]=3 3969 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,1,0,0|1,0,0]=3 3970 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,1,0,0|1,0,0]=3 3971 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,1,0,0|1,0,0]=3 3972 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,1,0,0|1,0,0]=3 3973 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,1,0,0|1,0,0]=3 3974 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|0,0,0]=2 3975 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [1,0,0,1,0,0|1,0,1]=4 3976 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [1,0,0,1,0,0|2,0,0]=4 3977 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [1,0,0,1,0,0|2,0,0]=4 3978 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [1,0,0,1,0,0|1,0,1]=4 3979 B7R1.14 O=S1(=O)CCCO1 MCULE-4897687828 [1,0,0,1,0,0|1,0,1]=4 3980 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|1,0,0]=3 3981 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,1,0,0|1,0,0]=3 3982 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [1,0,0,1,0,0|2,0,0]=4 3983 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [1,0,0,1,0,0|2,0,0]=4 3984 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [1,0,0,1,0,0|2,0,0]=4 3985 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [1,0,0,1,0,0|2,0,0]=4 3986 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [1,0,0,1,0,0|2,0,0]=4 3987 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [1,0,0,1,0,0|1,0,1]=4 3988 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [1,0,0,1,0,0|1,0,1]=4 3989 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [1,0,0,1,0,0|1,0,1]=4 3990 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [1,0,0,1,0,0|1,0,1]=4 3991 B7R1.18 N=C(N)C1CCC1 MCULE-3470535674 [1,0,0,1,0,0|2,0,0]=4 3992 B7R1.18 N=C(N)C1CCC1 MCULE-4802517706 [1,0,0,1,0,0|2,0,0]=4 3993 B7R1.18 N=C(N)C1CCC1 MCULE-5858986439 [1,0,0,1,0,0|2,0,0]=4 3994 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,1,0,0|1,0,0]=3 3995 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,1,0,0|2,0,0]=4 3996 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,1,0,0|2,0,0]=4 3997 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [1,0,0,1,0,0|2,0,0]=4 3998 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [1,0,0,1,0,0|2,0,0]=4 3999 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [1,0,0,1,0,0|2,0,0]=4 4000 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [1,0,0,1,0,0|2,0,0]=4 4001 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [1,0,0,1,0,0|2,0,0]=4 4002 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,1,0,0|2,0,0]=4 4003 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [1,0,0,1,0,0|1,1,0]=4 4004 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,1,0,0|1,0,0]=3 4005 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [1,0,0,1,0,0|2,0,0]=4 4006 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,1,0,0|0,0,2]=4 4007 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|0,0,0]=2 4008 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|1,0,0]=3 4009 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|1,0,0]=3 4010 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|1,0,0]=3 4011 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|0,0,0]=2 4012 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|0,0,0]=2 4013 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|1,0,0]=3 4014 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|1,0,0]=3 4015 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|1,0,0]=3 4016 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|1,0,0]=3 4017 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|1,0,0]=3 4018 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|1,0,0]=3 4019 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|1,0,0]=3 4020 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|1,0,0]=3 4021 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|0,0,0]=2 4022 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|0,0,0]=2 4023 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|1,0,0]=3 4024 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|1,0,0]=3 4025 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|1,0,0]=3 4026 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|1,0,0]=3 4027 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|0,0,0]=2 4028 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|0,0,0]=2 4029 B7R1.18 O=N(=O)C1CCC1 MCULE-1263563910 [1,0,0,1,0,0|1,0,1]=4 4030 B7R1.18 O=S([O-])C1CCC1 MCULE-2181260614 [1,0,0,1,0,0|1,0,1]=4 4031 B7R1.18 O=S([O-])C1CCC1 MCULE-5691798035 [1,0,0,1,0,0|1,0,1]=4 4032 B7R1.18 OB(O)C1CCC1 MCULE-3574521261 [1,0,0,1,0,0|1,0,1]=4 4033 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,1,0,0|1,0,0]=3 4034 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [1,0,0,1,0,0|2,0,0]=4 4035 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [1,0,0,1,0,0|1,0,1]=4 4036 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [1,0,0,1,0,0|1,0,1]=4 4037 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [1,0,0,1,0,0|1,0,1]=4 4038 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [1,0,0,1,0,0|2,0,0]=4 4039 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [1,0,0,1,0,0|2,0,0]=4 4040 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,1,0,0|1,0,0]=3 4041 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,1,0,0|1,0,0]=3 4042 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [1,0,0,1,0,0|2,0,0]=4 4043 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [1,0,0,1,0,0|1,1,0]=4 4044 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [1,0,0,1,0,0|1,0,0]=3 4045 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [1,0,0,1,0,0|2,0,0]=4 4046 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [1,0,0,1,0,0|2,0,0]=4 4047 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [1,0,0,1,0,0|0,0,2]=4 4048 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|0,0,0]=2 4049 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|0,0,0]=2 4050 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|0,0,0]=2 4051 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [1,0,0,1,0,0|1,0,1]=4 4052 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [1,0,0,1,0,0|1,0,1]=4 4053 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [1,0,0,1,0,0|1,0,1]=4 4054 B7R1.20 OB(O)CC1CC1 MCULE-2775080556 [1,0,0,1,0,0|1,0,1]=4 4055 B7R1.1 BrCC1C=CCC1 MCULE-4270104932 [1,0,0,1,0,0|2,0,0]=4 4056 B7R1.1 BrCC1CCCO1 MCULE-6801721633 [1,0,0,1,0,0|1,0,1]=4 4057 B7R1.1 BrC[C@H]1CCCO1 MCULE-3468061610 [1,0,0,1,0,0|1,0,1]=4 4058 B7R1.1 BrC[C@H]1CCCO1 MCULE-9305844681 [1,0,0,1,0,0|1,0,1]=4 4059 B7R1.1 C#CC1CCCO1 MCULE-5501627253 [1,0,0,1,0,0|1,0,1]=4 4060 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [1,0,0,1,0,0|1,0,1]=4 4061 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [1,0,0,1,0,0|2,0,0]=4 4062 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [1,0,0,1,0,0|2,0,0]=4 4063 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [1,0,0,1,0,0|2,0,0]=4 4064 B7R1.1 C=CC1CCCC1 MCULE-6144532155 [1,0,0,1,0,0|2,0,0]=4 4065 B7R1.1 C=CC1CCCN1 MCULE-5736974496 [1,0,0,1,0,0|2,0,0]=4 4066 B7R1.1 C=CC1CCCN1 MCULE-7626074228 [1,0,0,1,0,0|2,0,0]=4 4067 B7R1.1 COC1CCCO1 MCULE-8363423240 [1,0,0,1,0,0|2,0,0]=4 4068 B7R1.1 ClCC1CCCO1 MCULE-9816764842 [1,0,0,1,0,0|1,0,1]=4 4069 B7R1.1 ICC1CCCO1 MCULE-3981288245 [1,0,0,1,0,0|1,0,1]=4 4070 B7R1.1 N#CC1CCCO1 MCULE-6657753631 [1,0,0,1,0,0|1,0,1]=4 4071 B7R1.1 NCC1C=CCC1 MCULE-5829076156 [1,0,0,1,0,0|2,0,0]=4 4072 B7R1.1 NCC1C=CCC1 MCULE-8381701177 [1,0,0,1,0,0|2,0,0]=4 4073 B7R1.1 NCC1CCCO1 MCULE-2797516262 [1,0,0,1,0,0|1,0,1]=4 4074 B7R1.1 NCC1CCCO1 MCULE-5970677903 [1,0,0,1,0,0|1,0,1]=4 4075 B7R1.1 NCC1CCCO1 MCULE-6166235034 [1,0,0,1,0,0|1,0,1]=4 4076 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [1,0,0,1,0,0|1,0,1]=4 4077 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [1,0,0,1,0,0|1,0,1]=4 4078 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [1,0,0,1,0,0|1,0,1]=4 4079 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [1,0,0,1,0,0|1,0,1]=4 4080 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [1,0,0,1,0,0|1,0,1]=4 4081 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [1,0,0,1,0,0|1,0,1]=4 4082 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [1,0,0,1,0,0|1,0,1]=4 4083 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [1,0,0,1,0,0|1,0,1]=4 4084 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [1,0,0,1,0,0|1,0,1]=4 4085 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [1,0,0,1,0,0|0,0,2]=4 4086 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [1,0,0,1,0,0|1,0,0]=3 4087 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [1,0,0,1,0,0|0,0,0]=2 4088 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [1,0,0,1,0,0|2,0,0]=4 4089 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [1,0,0,1,0,0|2,0,0]=4 4090 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [1,0,0,1,0,0|2,0,0]=4 4091 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [1,0,0,1,0,0|2,0,0]=4 4092 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [1,0,0,1,0,0|2,0,0]=4 4093 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [1,0,0,1,0,0|2,0,0]=4 4094 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [1,0,0,1,0,0|1,0,0]=3 4095 B7R1.1 OCC1C=CCN1 MCULE-1461746159 [1,0,0,1,0,0|2,0,0]=4 4096 B7R1.1 OCC1C=CCN1 MCULE-5814337815 [1,0,0,1,0,0|2,0,0]=4 4097 B7R1.1 OCC1CC=CC1 MCULE-4213030098 [1,0,0,1,0,0|1,0,1]=4 4098 B7R1.1 OCC1CCCC1 MCULE-2985338933 [1,0,0,1,0,0|1,0,1]=4 4099 B7R1.1 OCC1CCCN1 MCULE-1016922679 [1,0,0,1,0,0|1,0,1]=4 4100 B7R1.1 OCC1CCCN1 MCULE-8224535891 [1,0,0,1,0,0|1,0,1]=4 4101 B7R1.1 OCC1CCCO1 MCULE-5877114547 [1,0,0,1,0,0|0,0,1]=3 4102 B7R1.1 OCC1CCCO1 MCULE-5884880244 [1,0,0,1,0,0|0,0,1]=3 4103 B7R1.1 OCC1CCCS1 MCULE-6106081414 [1,0,0,1,0,0|0,1,1]=4 4104 B7R1.1 OCC1CCNC1 MCULE-7883947611 [1,0,0,1,0,0|2,0,0]=4 4105 B7R1.1 OCC1CCNC1 MCULE-9689521155 [1,0,0,1,0,0|2,0,0]=4 4106 B7R1.1 OCC1CCOC1 MCULE-8926405046 [1,0,0,1,0,0|2,0,0]=4 4107 B7R1.1 OCC1CCON1 MCULE-1199975481 [1,0,0,1,0,0|2,0,0]=4 4108 B7R1.1 OCC1CCON1 MCULE-4772487016 [1,0,0,1,0,0|2,0,0]=4 4109 B7R1.1 OCC1CCSC1 MCULE-2226132734 [1,0,0,1,0,0|2,0,0]=4 4110 B7R1.1 OCC1COCO1 MCULE-3470022742 [1,0,0,1,0,0|1,0,1]=4 4111 B7R1.1 OCC1OCCO1 MCULE-8334027179 [1,0,0,1,0,0|1,0,1]=4 4112 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [1,0,0,1,0,0|1,0,1]=4 4113 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [1,0,0,1,0,0|1,0,1]=4 4114 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [1,0,0,1,0,0|1,0,1]=4 4115 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [1,0,0,1,0,0|1,0,1]=4 4116 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [1,0,0,1,0,0|0,0,1]=3 4117 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [1,0,0,1,0,0|0,0,1]=3 4118 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [1,0,0,1,0,0|2,0,0]=4 4119 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [1,0,0,1,0,0|2,0,0]=4 4120 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [1,0,0,1,0,0|2,0,0]=4 4121 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [1,0,0,1,0,0|2,0,0]=4 4122 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [1,0,0,1,0,0|2,0,0]=4 4123 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [1,0,0,1,0,0|2,0,0]=4 4124 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [1,0,0,1,0,0|1,0,1]=4 4125 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [1,0,0,1,0,0|1,0,1]=4 4126 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [1,0,0,1,0,0|1,0,1]=4 4127 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [1,0,0,1,0,0|1,0,1]=4 4128 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [1,0,0,1,0,0|0,0,1]=3 4129 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [1,0,0,1,0,0|0,0,1]=3 4130 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [1,0,0,1,0,0|2,0,0]=4 4131 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [1,0,0,1,0,0|2,0,0]=4 4132 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [1,0,0,1,0,0|2,0,0]=4 4133 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [1,0,0,1,0,0|2,0,0]=4 4134 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [1,0,0,1,0,0|2,0,0]=4 4135 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [1,0,0,1,0,0|2,0,0]=4 4136 B7R1.1 ONC1CCCC1 MCULE-1143510043 [1,0,0,1,0,0|2,0,0]=4 4137 B7R1.1 ONC1CCCC1 MCULE-7548854169 [1,0,0,1,0,0|2,0,0]=4 4138 B7R1.1 SCC1CCCO1 MCULE-5962232488 [1,0,0,1,0,0|0,1,1]=4 4139 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [1,0,0,1,0,0|2,0,0]=4 4140 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [1,0,0,1,0,0|2,0,0]=4 4141 B7R1.4 C=C1CCCC1O MCULE-3026250203 [1,0,0,1,0,0|1,0,0]=3 4142 B7R1.4 CC1CCCC1=O MCULE-3710290162 [1,0,0,1,0,0|1,0,0]=3 4143 B7R1.4 CC1CCCC1O MCULE-1288711765 [1,0,0,1,0,0|1,0,1]=4 4144 B7R1.4 CC1CCNC1=O MCULE-7799644249 [1,0,0,1,0,0|2,0,0]=4 4145 B7R1.4 CC1CCOC1=O MCULE-2223078294 [1,0,0,1,0,0|2,0,0]=4 4146 B7R1.4 CC1CNCC1=O MCULE-2728909327 [1,0,0,1,0,0|2,0,0]=4 4147 B7R1.4 CC1CNCC1=O MCULE-9172381840 [1,0,0,1,0,0|2,0,0]=4 4148 B7R1.4 CC1COCC1=O MCULE-8115238635 [1,0,0,1,0,0|2,0,0]=4 4149 B7R1.4 CC1CSCC1=O MCULE-5611423322 [1,0,0,1,0,0|2,0,0]=4 4150 B7R1.4 CC1NCCC1=O MCULE-4206844406 [1,0,0,1,0,0|2,0,0]=4 4151 B7R1.4 CC1NCCC1=O MCULE-7025918222 [1,0,0,1,0,0|2,0,0]=4 4152 B7R1.4 CC1OCCC1=O MCULE-8278816952 [1,0,0,1,0,0|2,0,0]=4 4153 B7R1.4 CC1SCCC1=O MCULE-5264322365 [1,0,0,1,0,0|2,0,0]=4 4154 B7R1.4 CN1CCCC1=O MCULE-1381506705 [1,0,0,1,0,0|2,0,0]=4 4155 B7R1.4 C[C@@H]1CCC[C@@H]1O MCULE-2617120620 [1,0,0,1,0,0|1,0,1]=4 4156 B7R1.4 C[C@@H]1CCC[C@H]1O MCULE-3398682980 [1,0,0,1,0,0|1,0,1]=4 4157 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [1,0,0,1,0,0|2,0,0]=4 4158 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-5212653059 [1,0,0,1,0,0|1,0,1]=4 4159 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-7997646273 [1,0,0,1,0,0|1,0,1]=4 4160 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-3291842365 [1,0,0,1,0,0|1,0,1]=4 4161 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-7570125274 [1,0,0,1,0,0|1,0,1]=4 4162 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [1,0,0,1,0,0|2,0,0]=4 4163 B7R1.4 NC1CCCC1=O MCULE-3654949473 [1,0,0,1,0,0|1,0,0]=3 4164 B7R1.4 NC1CCCC1=O MCULE-6579965788 [1,0,0,1,0,0|1,0,0]=3 4165 B7R1.4 NC1CCCC1O MCULE-1657591641 [1,0,0,1,0,0|1,0,1]=4 4166 B7R1.4 NC1CCCC1O MCULE-6248992494 [1,0,0,1,0,0|1,0,1]=4 4167 B7R1.4 NC1CCNC1=O MCULE-2061829370 [1,0,0,1,0,0|2,0,0]=4 4168 B7R1.4 NC1CCNC1=O MCULE-4272585488 [1,0,0,1,0,0|2,0,0]=4 4169 B7R1.4 NC1CCOC1=O MCULE-1011670330 [1,0,0,1,0,0|2,0,0]=4 4170 B7R1.4 NC1CCOC1=O MCULE-1366805966 [1,0,0,1,0,0|2,0,0]=4 4171 B7R1.4 NC1CCOC1=O MCULE-1874490478 [1,0,0,1,0,0|2,0,0]=4 4172 B7R1.4 NC1CCOC1=O MCULE-4434379753 [1,0,0,1,0,0|2,0,0]=4 4173 B7R1.4 NC1CCOC1=O MCULE-7302633352 [1,0,0,1,0,0|2,0,0]=4 4174 B7R1.4 NC1CCOC1=O MCULE-8009953591 [1,0,0,1,0,0|2,0,0]=4 4175 B7R1.4 NC1CCSC1=O MCULE-5181497015 [1,0,0,1,0,0|2,0,0]=4 4176 B7R1.4 NC1CCSC1=O MCULE-8775141567 [1,0,0,1,0,0|2,0,0]=4 4177 B7R1.4 NN1CCCC1=O MCULE-2994786381 [1,0,0,1,0,0|2,0,0]=4 4178 B7R1.4 NN1CCCC1=O MCULE-5599329775 [1,0,0,1,0,0|2,0,0]=4 4179 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [1,0,0,1,0,0|1,0,1]=4 4180 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [1,0,0,1,0,0|1,0,1]=4 4181 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [1,0,0,1,0,0|1,0,1]=4 4182 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [1,0,0,1,0,0|1,0,1]=4 4183 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [1,0,0,1,0,0|1,0,1]=4 4184 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [1,0,0,1,0,0|1,0,1]=4 4185 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [1,0,0,1,0,0|1,0,1]=4 4186 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [1,0,0,1,0,0|1,0,1]=4 4187 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [1,0,0,1,0,0|1,0,1]=4 4188 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [1,0,0,1,0,0|1,0,1]=4 4189 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [1,0,0,1,0,0|1,0,1]=4 4190 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [1,0,0,1,0,0|2,0,0]=4 4191 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [1,0,0,1,0,0|2,0,0]=4 4192 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [1,0,0,1,0,0|2,0,0]=4 4193 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [1,0,0,1,0,0|2,0,0]=4 4194 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [1,0,0,1,0,0|2,0,0]=4 4195 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [1,0,0,1,0,0|2,0,0]=4 4196 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [1,0,0,1,0,0|2,0,0]=4 4197 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [1,0,0,1,0,0|2,0,0]=4 4198 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [1,0,0,1,0,0|2,0,0]=4 4199 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [1,0,0,1,0,0|2,0,0]=4 4200 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [1,0,0,1,0,0|2,0,0]=4 4201 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [1,0,0,1,0,0|2,0,0]=4 4202 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [1,0,0,1,0,0|1,0,1]=4 4203 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [1,0,0,1,0,0|1,0,1]=4 4204 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [1,0,0,1,0,0|1,0,1]=4 4205 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [1,0,0,1,0,0|1,0,1]=4 4206 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [1,0,0,1,0,0|1,0,1]=4 4207 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [1,0,0,1,0,0|1,0,1]=4 4208 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [1,0,0,1,0,0|1,0,1]=4 4209 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [1,0,0,1,0,0|1,0,1]=4 4210 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [1,0,0,1,0,0|1,0,1]=4 4211 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [1,0,0,1,0,0|2,0,0]=4 4212 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [1,0,0,1,0,0|2,0,0]=4 4213 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [1,0,0,1,0,0|2,0,0]=4 4214 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [1,0,0,1,0,0|2,0,0]=4 4215 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [1,0,0,1,0,0|2,0,0]=4 4216 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [1,0,0,1,0,0|2,0,0]=4 4217 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [1,0,0,1,0,0|2,0,0]=4 4218 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [1,0,0,1,0,0|2,0,0]=4 4219 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [1,0,0,1,0,0|2,0,0]=4 4220 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [1,0,0,1,0,0|2,0,0]=4 4221 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [1,0,0,1,0,0|2,0,0]=4 4222 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [1,0,0,1,0,0|2,0,0]=4 4223 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [1,0,0,1,0,0|2,0,0]=4 4224 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [1,0,0,1,0,0|0,0,2]=4 4225 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [1,0,0,1,0,0|0,0,2]=4 4226 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [1,0,0,1,0,0|1,0,0]=3 4227 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [1,0,0,1,0,0|1,0,0]=3 4228 B7R1.4 O=C1CCCC1F MCULE-8001765295 [1,0,0,1,0,0|1,0,0]=3 4229 B7R1.4 O=C1CCCC1O MCULE-6795188798 [1,0,0,1,0,0|0,0,0]=2 4230 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [1,0,0,1,0,0|2,0,0]=4 4231 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [1,0,0,1,0,0|2,0,0]=4 4232 B7R1.4 O=C1NCCC1F MCULE-2209899044 [1,0,0,1,0,0|2,0,0]=4 4233 B7R1.4 O=C1NCCC1O MCULE-8818841339 [1,0,0,1,0,0|1,0,0]=3 4234 B7R1.4 O=C1NCCC1O MCULE-9662824811 [1,0,0,1,0,0|1,0,0]=3 4235 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [1,0,0,1,0,0|1,0,0]=3 4236 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [1,0,0,1,0,0|1,0,0]=3 4237 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [1,0,0,1,0,0|1,0,0]=3 4238 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [1,0,0,1,0,0|1,0,0]=3 4239 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [1,0,0,1,0,0|2,0,0]=4 4240 B7R1.4 O=C1OCCC1O MCULE-2144002601 [1,0,0,1,0,0|1,0,0]=3 4241 B7R1.4 O=C1OCCC1S MCULE-2130434062 [1,0,0,1,0,0|1,1,0]=4 4242 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [1,0,0,1,0,0|1,0,0]=3 4243 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [1,0,0,1,0,0|1,0,0]=3 4244 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [1,0,0,1,0,0|1,0,0]=3 4245 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [1,0,0,1,0,0|1,0,0]=3 4246 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [1,0,0,1,0,0|1,0,1]=4 4247 B7R1.4 OC1CCCC1Br MCULE-9027030471 [1,0,0,1,0,0|1,0,1]=4 4248 B7R1.4 OC1CCCC1Cl MCULE-5561130140 [1,0,0,1,0,0|1,0,1]=4 4249 B7R1.4 OC1CCCC1F MCULE-9111039481 [1,0,0,1,0,0|1,0,1]=4 4250 B7R1.4 OC1CCCC1O MCULE-2003945768 [1,0,0,1,0,0|0,0,1]=3 4251 B7R1.4 OC1CNCC1O MCULE-4416566731 [1,0,0,1,0,0|1,0,1]=4 4252 B7R1.4 OC1CNCC1O MCULE-7287658845 [1,0,0,1,0,0|1,0,1]=4 4253 B7R1.4 OC1COCC1O MCULE-2982401803 [1,0,0,1,0,0|1,0,1]=4 4254 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-5851051143 [1,0,0,1,0,0|1,0,1]=4 4255 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-6816188915 [1,0,0,1,0,0|1,0,1]=4 4256 B7R1.4 O[C@@H]1CCC[C@H]1F MCULE-6825738824 [1,0,0,1,0,0|1,0,1]=4 4257 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-3171045763 [1,0,0,1,0,0|0,0,1]=3 4258 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-4369287998 [1,0,0,1,0,0|0,0,1]=3 4259 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-2199886254 [1,0,0,1,0,0|1,0,1]=4 4260 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-3341203076 [1,0,0,1,0,0|1,0,1]=4 4261 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-5521619072 [1,0,0,1,0,0|1,0,1]=4 4262 B7R1.4 O[C@@H]1COC[C@H]1O MCULE-5846282762 [1,0,0,1,0,0|1,0,1]=4 4263 B7R1.4 O[C@H]1CCC[C@@H]1F MCULE-5487297072 [1,0,0,1,0,0|1,0,1]=4 4264 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4051443060 [1,0,0,1,0,0|0,0,1]=3 4265 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4644231649 [1,0,0,1,0,0|0,0,1]=3 4266 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-6847877597 [1,0,0,1,0,0|0,0,1]=3 4267 B7R1.4 O[C@H]1CCC[C@H]1Br MCULE-2758354858 [1,0,0,1,0,0|1,0,1]=4 4268 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-6157730443 [1,0,0,1,0,0|1,0,1]=4 4269 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-8785327416 [1,0,0,1,0,0|1,0,1]=4 4270 B7R1.4 O[C@H]1CCC[C@H]1O MCULE-7305350842 [1,0,0,1,0,0|0,0,1]=3 4271 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-5585016580 [1,0,0,1,0,0|1,0,1]=4 4272 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-6252837981 [1,0,0,1,0,0|1,0,1]=4 4273 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-7474807017 [1,0,0,1,0,0|1,0,1]=4 4274 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-8814174366 [1,0,0,1,0,0|1,0,1]=4 4275 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-9936814184 [1,0,0,1,0,0|1,0,1]=4 4276 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-8087937166 [1,0,0,1,0,0|1,0,1]=4 4277 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-9522092804 [1,0,0,1,0,0|1,0,1]=4 4278 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-2140544466 [1,0,0,1,0,0|1,0,1]=4 4279 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-9526811966 [1,0,0,1,0,0|1,0,1]=4 4280 B7R1.4 O[C@H]1COC[C@H]1O MCULE-2862505352 [1,0,0,1,0,0|1,0,1]=4 4281 B7R1.4 [C@@H]1(CNC[C@@H]1O)O MCULE-2661544949 [1,0,0,1,0,0|1,0,1]=4 4282 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [1,0,0,1,0,0|2,0,0]=4 4283 B7R1.6 BrCCC1CCO1 MCULE-2777479085 [1,0,0,1,0,0|1,0,1]=4 4284 B7R1.6 CNCC1CCO1 MCULE-5990606434 [1,0,0,1,0,0|2,0,0]=4 4285 B7R1.6 ICCC1CCO1 MCULE-3778448773 [1,0,0,1,0,0|1,0,1]=4 4286 B7R1.6 NCCC1CCO1 MCULE-3619983020 [1,0,0,1,0,0|1,0,1]=4 4287 B7R1.6 NCC[C@@H]1CCO1 MCULE-5442768835 [1,0,0,1,0,0|1,0,1]=4 4288 B7R1.6 O=CCC1CCC1 MCULE-6234957728 [1,0,0,1,0,0|1,0,0]=3 4289 B7R1.6 O=CCC1COC1 MCULE-3070858256 [1,0,0,1,0,0|2,0,0]=4 4290 B7R1.6 OCCC1CCC1 MCULE-1014969390 [1,0,0,1,0,0|1,0,1]=4 4291 B7R1.6 OCCC1CCN1 MCULE-4368379502 [1,0,0,1,0,0|1,0,1]=4 4292 B7R1.6 OCCC1CCO1 MCULE-3323265996 [1,0,0,1,0,0|0,0,1]=3 4293 B7R1.6 OCCC1CNC1 MCULE-1975411420 [1,0,0,1,0,0|2,0,0]=4 4294 B7R1.6 OCCC1CNC1 MCULE-4993890888 [1,0,0,1,0,0|2,0,0]=4 4295 B7R1.6 OCCC1COC1 MCULE-2515762048 [1,0,0,1,0,0|2,0,0]=4 4296 B7R1.6 OCC[C@@H]1CCN1 MCULE-9567198532 [1,0,0,1,0,0|1,0,1]=4 4297 B7R1.6 OCC[C@@H]1CCO1 MCULE-6606073727 [1,0,0,1,0,0|0,0,1]=3 4298 B7R1.6 OCC[C@H]1CCN1 MCULE-7385668340 [1,0,0,1,0,0|1,0,1]=4 4299 B7R1.6 OCC[C@H]1CCO1 MCULE-4848994972 [1,0,0,1,0,0|0,0,1]=3 4300 B7R1.6 OCC[C@H]1CCO1 MCULE-9787306242 [1,0,0,1,0,0|0,0,1]=3 4301 B7R1.8 CC1CCC1C=O MCULE-9541644884 [1,0,0,1,0,0|1,0,0]=3 4302 B7R1.8 CC1CCC1CO MCULE-4677269341 [1,0,0,1,0,0|1,0,1]=4 4303 B7R1.8 CCC1CCC1=O MCULE-5109615435 [1,0,0,1,0,0|1,0,0]=3 4304 B7R1.8 CN1CCC1CO MCULE-3475629266 [1,0,0,1,0,0|2,0,0]=4 4305 B7R1.8 CN1CC[C@@H]1CO MCULE-2590783241 [1,0,0,1,0,0|2,0,0]=4 4306 B7R1.8 CN1CC[C@@H]1CO MCULE-9683847113 [1,0,0,1,0,0|2,0,0]=4 4307 B7R1.8 CN1CC[C@H]1CO MCULE-6507300625 [1,0,0,1,0,0|2,0,0]=4 4308 B7R1.8 CN1CC[C@H]1CO MCULE-9641004134 [1,0,0,1,0,0|2,0,0]=4 4309 B7R1.8 CN[C@H]1CC[C@@H]1O MCULE-4638367588 [1,0,0,1,0,0|2,0,0]=4 4310 B7R1.8 COC1CCC1=O MCULE-6511996246 [1,0,0,1,0,0|2,0,0]=4 4311 B7R1.8 CSC1CCC1=O MCULE-3892720319 [1,0,0,1,0,0|2,0,0]=4 4312 B7R1.8 N#CC1CCC1=O MCULE-3371494435 [1,0,0,1,0,0|1,0,1]=4 4313 B7R1.8 O=C1CCC1CO MCULE-5501600764 [1,0,0,1,0,0|0,0,0]=2 4314 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [1,0,0,1,0,0|0,0,0]=2 4315 B7R1.8 OCC1CCC1F MCULE-2481035584 [1,0,0,1,0,0|1,0,1]=4 4316 B7R1.8 OCC1CCC1O MCULE-9764745395 [1,0,0,1,0,0|0,0,1]=3 4317 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [1,0,0,1,0,0|0,0,1]=3 4318 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [1,0,0,1,0,0|0,0,1]=3 4319 B7R1.9 C#CC1CC1CO MCULE-9506693915 [1,0,0,1,0,0|1,0,1]=4 4320 B7R1.9 C#C[C@H]1C[C@H]1CO MCULE-5176741676 [1,0,0,1,0,0|1,0,1]=4 4321 B7R1.9 CCC1CC1CO MCULE-3342087238 [1,0,0,1,0,0|1,0,1]=4 4322 B7R1.9 COC1CC1C=O MCULE-8346964880 [1,0,0,1,0,0|2,0,0]=4 4323 B7R1.9 N#CC1CC1CO MCULE-7679796035 [1,0,0,1,0,0|1,0,1]=4 4324 B7R1.9 NCC1CC1CO MCULE-2679526126 [1,0,0,1,0,0|1,0,1]=4 4325 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [1,0,0,1,0,0|1,0,1]=4 4326 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [1,0,0,1,0,0|1,0,1]=4 4327 B7R1.9 OCC1CC1CO MCULE-5153064657 [1,0,0,1,0,0|0,0,1]=3 4328 B7R1.9 OC[C@H]1C[C@H]1CO MCULE-9036138013 [1,0,0,1,0,0|0,0,1]=3 4329 B7R1.24 C1=CCCCCC1 MCULE-4514853156 [1,0,0,1,0,0|2,0,0]=4 4330 B7R1.24 C1CCCOCC1 MCULE-9994899395 [1,0,0,1,0,0|1,0,1]=4 4331 B7R1.24 C1CCNOCC1 MCULE-7242354366 [1,0,0,1,0,0|1,0,1]=4 4332 B7R1.24 C1CCNOCC1 MCULE-7451936178 [1,0,0,1,0,0|1,0,1]=4 4333 B7R1.24 C1CCOCOC1 MCULE-4779745094 [1,0,0,1,0,0|2,0,0]=4 4334 B9R1.7 C=CCC1CCC(=O)C1 MCULE-2799866455 [0,1,0,1,0,0|2,0,0]=4 4335 B9R1.7 CC1CCC(O1)CCO MCULE-3947673644 [0,1,0,1,0,0|1,0,1]=4 4336 B9R1.7 CCCC1CCC(=O)C1 MCULE-9793680877 [0,1,0,1,0,0|2,0,0]=4 4337 B9R1.7 CCCC1CCC(=O)O1 MCULE-7682573247 [0,1,0,1,0,0|1,0,0]=3 4338 B9R1.7 CCCC1CNC(=O)C1 MCULE-4931707298 [0,1,0,1,0,0|2,0,0]=4 4339 B9R1.7 CCCC1COC(=O)C1 MCULE-1327483782 [0,1,0,1,0,0|1,0,0]=3 4340 B9R1.7 CCCC1COC(=O)C1 MCULE-2912518782 [0,1,0,1,0,0|1,0,0]=3 4341 B9R1.7 CCCC1COC(=O)O1 MCULE-7663556618 [0,1,0,1,0,0|1,0,0]=3 4342 B9R1.7 CCC[C@@H]1COC(=O)C1 MCULE-3295643630 [0,1,0,1,0,0|1,0,0]=3 4343 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4217358413 [0,1,0,1,0,0|1,0,0]=3 4344 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4815713221 [0,1,0,1,0,0|1,0,0]=3 4345 B9R1.7 CCOC1CCC(=O)N1 MCULE-6221129998 [0,1,0,1,0,0|2,0,0]=4 4346 B9R1.7 CNCC1CCC(=O)N1 MCULE-3081580104 [0,1,0,1,0,0|2,0,0]=4 4347 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-2568268658 [0,1,0,1,0,0|2,0,0]=4 4348 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-3483815914 [0,1,0,1,0,0|2,0,0]=4 4349 B9R1.7 COCC1CCC(=O)C1 MCULE-5327398944 [0,1,0,1,0,0|1,0,0]=3 4350 B9R1.7 COCC1COC(=O)O1 MCULE-4488263909 [0,1,0,1,0,0|1,0,0]=3 4351 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-4803003402 [0,1,0,1,0,0|1,0,0]=3 4352 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-7896550849 [0,1,0,1,0,0|1,0,0]=3 4353 B9R1.7 COC[C@H]1CNC(=O)O1 MCULE-1001119582 [0,1,0,1,0,0|1,0,0]=3 4354 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4532523996 [0,1,0,1,0,0|1,0,0]=3 4355 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4644835151 [0,1,0,1,0,0|1,0,0]=3 4356 B9R1.7 N#CCC1CCC(=O)N1 MCULE-1936081162 [0,1,0,1,0,0|2,0,0]=4 4357 B9R1.7 N#CC[C@@H]1CCC(=O)N1 MCULE-6728125451 [0,1,0,1,0,0|2,0,0]=4 4358 B9R1.7 N#CC[C@H]1CCC(=O)N1 MCULE-1463443311 [0,1,0,1,0,0|2,0,0]=4 4359 B9R1.7 N#CC[C@H]1CCC(=O)N1 MCULE-3830054780 [0,1,0,1,0,0|2,0,0]=4 4360 B9R1.7 NCCC1CCC(=O)N1 MCULE-5980289637 [0,1,0,1,0,0|2,0,0]=4 4361 B9R1.7 NCCC1CNC(=O)C1 MCULE-8054842830 [0,1,0,1,0,0|2,0,0]=4 4362 B9R1.7 NCCC1CNC(=O)C1 MCULE-8879419553 [0,1,0,1,0,0|2,0,0]=4 4363 B9R1.7 NCC[C@@H]1CCC(=O)N1 MCULE-8053535061 [0,1,0,1,0,0|2,0,0]=4 4364 B9R1.7 O=C1CC(CN1)CCO MCULE-6468116083 [0,1,0,1,0,0|1,0,0]=3 4365 B9R1.7 O=C1CC=C(O1)CCO MCULE-5445350928 [0,1,0,1,0,0|0,0,1]=3 4366 B9R1.7 O=C1CCC(N1)CCO MCULE-8691061986 [0,1,0,1,0,0|1,0,0]=3 4367 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-7396523836 [0,1,0,1,0,0|1,0,0]=3 4368 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-8307506069 [0,1,0,1,0,0|1,0,0]=3 4369 B9R1.7 O=S1OCC(O1)CCCl MCULE-1770094886 [0,1,0,1,0,0|2,0,0]=4 4370 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [0,1,0,1,0,0|1,0,0]=3 4371 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [0,1,0,1,0,0|1,0,0]=3 4372 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [0,1,0,1,0,0|1,0,0]=3 4373 B9R1.13 CC(=O)CC1C=CCC1 MCULE-6918580278 [0,1,0,1,0,0|2,0,0]=4 4374 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [0,1,0,1,0,0|2,0,0]=4 4375 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [0,1,0,1,0,0|1,0,0]=3 4376 B9R1.13 CC(=O)CC1CCOC1 MCULE-2391008206 [0,1,0,1,0,0|1,0,0]=3 4377 B9R1.13 CC(=O)CC1OCCO1 MCULE-2632722648 [0,1,0,1,0,0|1,0,0]=3 4378 B9R1.13 CC(=O)CN1CCCC1 MCULE-7257105125 [0,1,0,1,0,0|2,0,0]=4 4379 B9R1.13 CC(=O)NC1CCCC1 MCULE-5984597819 [0,1,0,1,0,0|2,0,0]=4 4380 B9R1.13 CC(=O)OC1CCCC1 MCULE-7737656947 [0,1,0,1,0,0|2,0,0]=4 4381 B9R1.13 CC(=O)OC1CCCO1 MCULE-9160883410 [0,1,0,1,0,0|1,0,0]=3 4382 B9R1.13 CC(=O)SC1CCOC1 MCULE-8318391351 [0,1,0,1,0,0|2,0,0]=4 4383 B9R1.13 CC(O)CC1CCOC1 MCULE-4873864951 [0,1,0,1,0,0|1,0,1]=4 4384 B9R1.13 NC(=O)CC1CCCC1 MCULE-2082339108 [0,1,0,1,0,0|2,0,0]=4 4385 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [0,1,0,1,0,0|2,0,0]=4 4386 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [0,1,0,1,0,0|2,0,0]=4 4387 B9R1.13 NC(=O)CC1CCNC1 MCULE-7856346382 [0,1,0,1,0,0|2,0,0]=4 4388 B9R1.13 NC(=O)CC1CCNC1 MCULE-9708437402 [0,1,0,1,0,0|2,0,0]=4 4389 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [0,1,0,1,0,0|2,0,0]=4 4390 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [0,1,0,1,0,0|2,0,0]=4 4391 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [0,1,0,1,0,0|2,0,0]=4 4392 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [0,1,0,1,0,0|2,0,0]=4 4393 B9R1.13 NC(=O)NC1CCCC1 MCULE-9715014489 [0,1,0,1,0,0|2,0,0]=4 4394 B9R1.13 NC(=O)OC1CCCC1 MCULE-7706681395 [0,1,0,1,0,0|2,0,0]=4 4395 B9R1.13 NC(=S)CC1CCCO1 MCULE-7256451681 [0,1,0,1,0,0|1,1,0]=4 4396 B9R1.13 O=C(Cl)CC1CCCC1 MCULE-1532102571 [0,1,0,1,0,0|2,0,0]=4 4397 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [0,1,0,1,0,0|1,0,0]=3 4398 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-5855966340 [0,1,0,1,0,0|2,0,0]=4 4399 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-7423158222 [0,1,0,1,0,0|2,0,0]=4 4400 B9R1.13 O=C(Cl)OC1CCCC1 MCULE-2692212922 [0,1,0,1,0,0|2,0,0]=4 4401 B9R1.13 O=C(Cl)OC1CCOC1 MCULE-2201264760 [0,1,0,1,0,0|2,0,0]=4 4402 B9R1.13 O=C(O)C=C1CCCC1 MCULE-1637420148 [0,1,0,1,0,0|1,0,1]=4 4403 B9R1.13 O=C(O)CC1=CCCC1 MCULE-5115478269 [0,1,0,1,0,0|1,0,0]=3 4404 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [0,1,0,1,0,0|1,0,0]=3 4405 B9R1.13 O=C(O)CC1CC=CC1 MCULE-8417475923 [0,1,0,1,0,0|1,0,1]=4 4406 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [0,1,0,1,0,0|1,0,0]=3 4407 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [0,1,0,1,0,0|1,0,0]=3 4408 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [0,1,0,1,0,0|1,0,0]=3 4409 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [0,1,0,1,0,0|0,0,0]=2 4410 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [0,1,0,1,0,0|1,0,0]=3 4411 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [0,1,0,1,0,0|1,0,0]=3 4412 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [0,1,0,1,0,0|0,0,0]=2 4413 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [0,1,0,1,0,0|0,0,0]=2 4414 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [0,1,0,1,0,0|0,1,0]=3 4415 B9R1.13 O=C(O)CC1OCCO1 MCULE-2253063465 [0,1,0,1,0,0|0,0,0]=2 4416 B9R1.13 O=C(O)CN1CCCC1 MCULE-3979513963 [0,1,0,1,0,0|1,0,0]=3 4417 B9R1.13 O=C(O)CN1CCCC1 MCULE-4046939568 [0,1,0,1,0,0|1,0,0]=3 4418 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [0,1,0,1,0,0|1,0,0]=3 4419 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [0,1,0,1,0,0|1,0,0]=3 4420 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [0,1,0,1,0,0|1,0,0]=3 4421 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [0,1,0,1,0,0|0,0,0]=2 4422 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [0,1,0,1,0,0|1,0,0]=3 4423 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [0,1,0,1,0,0|1,0,0]=3 4424 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [0,1,0,1,0,0|1,0,0]=3 4425 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [0,1,0,1,0,0|1,0,0]=3 4426 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [0,1,0,1,0,0|0,0,0]=2 4427 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [0,1,0,1,0,0|0,0,0]=2 4428 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [0,1,0,1,0,0|1,0,0]=3 4429 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [0,1,0,1,0,0|1,0,0]=3 4430 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [0,1,0,1,0,0|1,0,0]=3 4431 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [0,1,0,1,0,0|1,0,0]=3 4432 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [0,1,0,1,0,0|1,0,0]=3 4433 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [0,1,0,1,0,0|1,0,0]=3 4434 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [0,1,0,1,0,0|1,0,0]=3 4435 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [0,1,0,1,0,0|1,0,0]=3 4436 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [0,1,0,1,0,0|0,0,0]=2 4437 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [0,1,0,1,0,0|0,0,0]=2 4438 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [0,1,0,1,0,0|1,0,0]=3 4439 B9R1.22 CC1CC(=O)NC1CO MCULE-1890923185 [0,1,0,1,0,0|1,0,0]=3 4440 B9R1.22 C[C@@H]1CC(=O)N[C@@H]1CO MCULE-7022189173 [0,1,0,1,0,0|1,0,0]=3 4441 B9R1.22 C[C@@H]1CC(=O)N[C@H]1CO MCULE-2239273281 [0,1,0,1,0,0|1,0,0]=3 4442 B9R1.22 C[C@H]1CC(=O)N[C@@H]1CO MCULE-6299915210 [0,1,0,1,0,0|1,0,0]=3 4443 B9R1.22 C[C@H]1CC(=O)N[C@H]1CO MCULE-9870605893 [0,1,0,1,0,0|1,0,0]=3 4444 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [0,1,0,1,0,0|0,0,0]=2 4445 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [0,1,0,1,0,0|0,0,0]=2 4446 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [0,1,0,1,0,0|0,0,0]=2 4447 B9R1.22 OCC1OC(CC1O)O MCULE-1321369472 [0,1,0,1,0,0|0,0,2]=4 4448 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-2396008864 [0,1,0,1,0,0|0,0,2]=4 4449 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-3186725991 [0,1,0,1,0,0|0,0,2]=4 4450 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-8127322430 [0,1,0,1,0,0|0,0,2]=4 4451 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O MCULE-5678157789 [0,1,0,1,0,0|0,0,2]=4 4452 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [0,1,0,1,0,0|0,0,0]=2 4453 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,1,0,1,0,0|1,0,1]=4 4454 B9R1.34 CC1CC(=O)CC(C1)C MCULE-7560602452 [0,1,0,1,0,0|2,0,0]=4 4455 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [0,1,0,1,0,0|0,0,2]=4 4456 B9R1.34 O[C@H]1C[C@H](C[C@H](C1)O)O MCULE-2452108451 [0,1,0,1,0,0|1,0,1]=4 4457 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [0,1,0,1,0,0|1,0,0]=3 4458 B9R1.41 CC(=O)C1CCCC1=O MCULE-8152440536 [0,1,0,1,0,0|1,0,1]=4 4459 B9R1.41 CC1=C(CCC1)C(=O)O MCULE-4166872703 [0,1,0,1,0,0|1,0,1]=4 4460 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [0,1,0,1,0,0|1,0,0]=3 4461 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [0,1,0,1,0,0|1,0,0]=3 4462 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [0,1,0,1,0,0|1,0,0]=3 4463 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [0,1,0,1,0,0|1,0,0]=3 4464 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [0,1,0,1,0,0|1,0,0]=3 4465 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [0,1,0,1,0,0|1,0,0]=3 4466 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [0,1,0,1,0,0|1,0,0]=3 4467 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [0,1,0,1,0,0|1,0,0]=3 4468 B9R1.41 CN1CCCC1C(=O)N MCULE-1474656837 [0,1,0,1,0,0|2,0,0]=4 4469 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [0,1,0,1,0,0|1,0,0]=3 4470 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [0,1,0,1,0,0|1,0,0]=3 4471 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [0,1,0,1,0,0|1,0,0]=3 4472 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1129223179 [0,1,0,1,0,0|2,0,0]=4 4473 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1418743058 [0,1,0,1,0,0|2,0,0]=4 4474 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [0,1,0,1,0,0|1,0,0]=3 4475 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [0,1,0,1,0,0|1,0,0]=3 4476 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [0,1,0,1,0,0|1,0,0]=3 4477 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [0,1,0,1,0,0|1,0,0]=3 4478 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-1155656545 [0,1,0,1,0,0|2,0,0]=4 4479 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-5987152150 [0,1,0,1,0,0|2,0,0]=4 4480 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [0,1,0,1,0,0|1,0,0]=3 4481 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [0,1,0,1,0,0|1,0,0]=3 4482 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [0,1,0,1,0,0|1,0,0]=3 4483 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [0,1,0,1,0,0|1,0,0]=3 4484 B9R1.41 CN1CSCC1C(=O)O MCULE-6053778396 [0,1,0,1,0,0|2,0,0]=4 4485 B9R1.41 CN1CSCC1C(=O)O MCULE-8768199445 [0,1,0,1,0,0|2,0,0]=4 4486 B9R1.41 CN1CSC[C@@H]1C(=O)O MCULE-9390031358 [0,1,0,1,0,0|2,0,0]=4 4487 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-2295281512 [0,1,0,1,0,0|2,0,0]=4 4488 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-3344236668 [0,1,0,1,0,0|2,0,0]=4 4489 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-6116857567 [0,1,0,1,0,0|2,0,0]=4 4490 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-7315008971 [0,1,0,1,0,0|2,0,0]=4 4491 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [0,1,0,1,0,0|1,0,0]=3 4492 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [0,1,0,1,0,0|1,0,0]=3 4493 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [0,1,0,1,0,0|1,0,0]=3 4494 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [0,1,0,1,0,0|0,0,0]=2 4495 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [0,1,0,1,0,0|1,0,0]=3 4496 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [0,1,0,1,0,0|1,0,0]=3 4497 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [0,1,0,1,0,0|1,0,0]=3 4498 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [0,1,0,1,0,0|1,0,0]=3 4499 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [0,1,0,1,0,0|1,0,0]=3 4500 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [0,1,0,1,0,0|1,0,0]=3 4501 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [0,1,0,1,0,0|1,0,0]=3 4502 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [0,1,0,1,0,0|1,0,0]=3 4503 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [0,1,0,1,0,0|1,0,0]=3 4504 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [0,1,0,1,0,0|1,0,0]=3 4505 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [0,1,0,1,0,0|1,0,0]=3 4506 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [0,1,0,1,0,0|1,0,0]=3 4507 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [0,1,0,1,0,0|1,0,0]=3 4508 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [0,1,0,1,0,0|1,0,0]=3 4509 B9R1.41 NC(=O)C1CCCC1=O MCULE-2399127943 [0,1,0,1,0,0|1,0,1]=4 4510 B9R1.41 NC(=O)C1CCCC1N MCULE-5593863466 [0,1,0,1,0,0|2,0,0]=4 4511 B9R1.41 NC(=O)C1CCCC1N MCULE-7208597206 [0,1,0,1,0,0|2,0,0]=4 4512 B9R1.41 NC(=O)C1NCCC1O MCULE-1947851170 [0,1,0,1,0,0|1,0,0]=3 4513 B9R1.41 NC(=O)C1NCCC1O MCULE-8983481897 [0,1,0,1,0,0|1,0,0]=3 4514 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-1275176642 [0,1,0,1,0,0|2,0,0]=4 4515 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2107283008 [0,1,0,1,0,0|2,0,0]=4 4516 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2865532845 [0,1,0,1,0,0|2,0,0]=4 4517 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-3874121291 [0,1,0,1,0,0|2,0,0]=4 4518 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [0,1,0,1,0,0|1,0,0]=3 4519 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-1119399523 [0,1,0,1,0,0|1,0,0]=3 4520 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-4733398267 [0,1,0,1,0,0|1,0,0]=3 4521 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8085547151 [0,1,0,1,0,0|1,0,0]=3 4522 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8491779714 [0,1,0,1,0,0|1,0,0]=3 4523 B9R1.41 NC1=C(CCC1)C(=O)O MCULE-9287668193 [0,1,0,1,0,0|1,0,1]=4 4524 B9R1.41 NC1C=CCC1C(=O)O MCULE-8527386281 [0,1,0,1,0,0|1,0,1]=4 4525 B9R1.41 NC1C=CCC1C(=O)O MCULE-8529743719 [0,1,0,1,0,0|1,0,1]=4 4526 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [0,1,0,1,0,0|1,0,0]=3 4527 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [0,1,0,1,0,0|1,0,0]=3 4528 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [0,1,0,1,0,0|1,0,0]=3 4529 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [0,1,0,1,0,0|1,0,0]=3 4530 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [0,1,0,1,0,0|1,0,0]=3 4531 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [0,1,0,1,0,0|1,0,0]=3 4532 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [0,1,0,1,0,0|1,0,0]=3 4533 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [0,1,0,1,0,0|1,0,0]=3 4534 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [0,1,0,1,0,0|1,0,0]=3 4535 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [0,1,0,1,0,0|1,0,0]=3 4536 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [0,1,0,1,0,0|1,0,0]=3 4537 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [0,1,0,1,0,0|1,0,0]=3 4538 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [0,1,0,1,0,0|1,0,0]=3 4539 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [0,1,0,1,0,0|1,0,0]=3 4540 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [0,1,0,1,0,0|1,0,0]=3 4541 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [0,1,0,1,0,0|1,0,0]=3 4542 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [0,1,0,1,0,0|1,0,0]=3 4543 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [0,1,0,1,0,0|1,0,0]=3 4544 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [0,1,0,1,0,0|1,0,0]=3 4545 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [0,1,0,1,0,0|1,0,0]=3 4546 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [0,1,0,1,0,0|1,0,0]=3 4547 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [0,1,0,1,0,0|1,0,0]=3 4548 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [0,1,0,1,0,0|1,0,0]=3 4549 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [0,1,0,1,0,0|1,0,0]=3 4550 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [0,1,0,1,0,0|1,0,0]=3 4551 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [0,1,0,1,0,0|1,0,0]=3 4552 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [0,1,0,1,0,0|1,0,0]=3 4553 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [0,1,0,1,0,0|1,0,0]=3 4554 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [0,1,0,1,0,0|1,0,0]=3 4555 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [0,1,0,1,0,0|1,0,0]=3 4556 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [0,1,0,1,0,0|1,0,0]=3 4557 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [0,1,0,1,0,0|1,0,0]=3 4558 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [0,1,0,1,0,0|1,0,0]=3 4559 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [0,1,0,1,0,0|1,0,0]=3 4560 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [0,1,0,1,0,0|1,0,0]=3 4561 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [0,1,0,1,0,0|1,0,0]=3 4562 B9R1.41 O=C(Cl)C1CCCC1=O MCULE-1186628152 [0,1,0,1,0,0|1,0,1]=4 4563 B9R1.41 O=C(O)C1=C(CCC1)Cl MCULE-4349801654 [0,1,0,1,0,0|1,0,1]=4 4564 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [0,1,0,1,0,0|0,0,1]=3 4565 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [0,1,0,1,0,0|0,0,0]=2 4566 B9R1.41 O=C(O)C1CCNC1=O MCULE-3110303122 [0,1,0,1,0,0|0,0,2]=4 4567 B9R1.41 O=C(O)C1CCOC1=O MCULE-1545162383 [0,1,0,1,0,0|0,0,2]=4 4568 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [0,1,0,1,0,0|0,0,0]=2 4569 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [0,1,0,1,0,0|0,0,0]=2 4570 B9R1.41 O=C(O)C1COCC1F MCULE-8830875984 [0,1,0,1,0,0|1,0,0]=3 4571 B9R1.41 O=C(O)C1CSCC1=O MCULE-2401489071 [0,1,0,1,0,0|0,0,2]=4 4572 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [0,1,0,1,0,0|1,0,0]=3 4573 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [0,1,0,1,0,0|1,0,0]=3 4574 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [0,1,0,1,0,0|0,0,0]=2 4575 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [0,1,0,1,0,0|0,0,0]=2 4576 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [0,1,0,1,0,0|0,0,0]=2 4577 B9R1.41 O=C(O)[C@@H]1CCNC1=O MCULE-2092808645 [0,1,0,1,0,0|0,0,2]=4 4578 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [0,1,0,1,0,0|1,0,0]=3 4579 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [0,1,0,1,0,0|1,0,0]=3 4580 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [0,1,0,1,0,0|0,0,0]=2 4581 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [0,1,0,1,0,0|0,0,0]=2 4582 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [0,1,0,1,0,0|0,0,0]=2 4583 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [0,1,0,1,0,0|0,0,0]=2 4584 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [0,1,0,1,0,0|0,0,0]=2 4585 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [0,1,0,1,0,0|1,0,0]=3 4586 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [0,1,0,1,0,0|1,0,0]=3 4587 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [0,1,0,1,0,0|0,0,0]=2 4588 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [0,1,0,1,0,0|0,0,0]=2 4589 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [0,1,0,1,0,0|0,0,0]=2 4590 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [0,1,0,1,0,0|0,0,0]=2 4591 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [0,1,0,1,0,0|0,0,0]=2 4592 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [0,1,0,1,0,0|0,0,0]=2 4593 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [0,1,0,1,0,0|1,0,0]=3 4594 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [0,1,0,1,0,0|1,0,0]=3 4595 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [0,1,0,1,0,0|1,0,0]=3 4596 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [0,1,0,1,0,0|1,0,0]=3 4597 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [0,1,0,1,0,0|0,0,0]=2 4598 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [0,1,0,1,0,0|0,0,0]=2 4599 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [0,1,0,1,0,0|0,0,0]=2 4600 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [0,1,0,1,0,0|1,0,0]=3 4601 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [0,1,0,1,0,0|0,0,0]=2 4602 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [0,1,0,1,0,0|0,0,0]=2 4603 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [0,1,0,1,0,0|0,0,0]=2 4604 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [0,1,0,1,0,0|0,0,0]=2 4605 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [0,1,0,1,0,0|0,0,0]=2 4606 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [0,1,0,1,0,0|0,0,0]=2 4607 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [0,1,0,1,0,0|0,0,0]=2 4608 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [0,1,0,1,0,0|0,0,0]=2 4609 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [0,1,0,1,0,0|0,0,0]=2 4610 B9R1.44 CC1(CC1F)CC(=O)O MCULE-2399259815 [0,1,0,1,0,0|1,0,0]=3 4611 B9R1.48 CC1=CC(=O)CCCC1 MCULE-5466118884 [0,1,0,1,0,0|2,0,0]=4 4612 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [0,1,0,1,0,0|2,0,0]=4 4613 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [0,1,0,1,0,0|2,0,0]=4 4614 B9R1.48 CC1CNCCC(=O)N1 MCULE-3663408616 [0,1,0,1,0,0|2,0,0]=4 4615 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,1,0,1,0,0|2,0,0]=4 4616 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [0,1,0,1,0,0|1,0,0]=3 4617 B9R1.48 O=C1CCCCC(=O)C1 MCULE-7105668998 [0,1,0,1,0,0|1,0,1]=4 4618 B9R1.48 O=C1CCCCC(=O)N1 MCULE-4575266335 [0,1,0,1,0,0|1,0,1]=4 4619 B9R1.48 O=C1CCCCC(=O)O1 MCULE-7893102377 [0,1,0,1,0,0|0,0,1]=3 4620 B9R1.48 O=C1CCCCC(=S)N1 MCULE-9950295037 [0,1,0,1,0,0|1,1,0]=4 4621 B9R1.48 O=C1CCCCC(N1)O MCULE-6756895418 [0,1,0,1,0,0|1,0,0]=3 4622 B9R1.52 CC1CN(C1C(=O)O)C MCULE-8572324743 [0,1,0,1,0,0|2,0,0]=4 4623 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-1157987768 [0,1,0,1,0,0|2,0,0]=4 4624 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-2203210701 [0,1,0,1,0,0|2,0,0]=4 4625 B9R1.52 C[C@@H]1CN([C@@H]1C(=O)O)C MCULE-7173137112 [0,1,0,1,0,0|2,0,0]=4 4626 B9R1.53 CC(C)CC1CC(=O)N1 MCULE-7772282181 [0,1,0,1,0,0|2,0,0]=4 4627 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [0,1,0,1,0,0|1,0,0]=3 4628 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6114587935 [0,1,0,1,0,0|2,0,0]=4 4629 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6524445855 [0,1,0,1,0,0|2,0,0]=4 4630 B9R1.53 NC(=O)CC1CC(C1)N MCULE-4414712655 [0,1,0,1,0,0|2,0,0]=4 4631 B9R1.53 NC(=O)CC1CC(C1)N MCULE-6104457108 [0,1,0,1,0,0|2,0,0]=4 4632 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,1,0,1,0,0|1,0,0]=3 4633 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,1,0,1,0,0|1,0,0]=3 4634 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,1,0,1,0,0|1,0,0]=3 4635 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,1,0,1,0,0|1,0,0]=3 4636 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,1,0,1,0,0|1,0,0]=3 4637 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,1,0,1,0,0|1,0,0]=3 4638 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,1,0,1,0,0|0,0,2]=4 4639 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,1,0,1,0,0|0,0,2]=4 4640 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [0,1,0,1,0,0|1,0,0]=3 4641 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [0,1,0,1,0,0|1,0,0]=3 4642 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [0,1,0,1,0,0|1,0,0]=3 4643 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [0,1,0,1,0,0|1,0,0]=3 4644 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [0,1,0,1,0,0|1,0,0]=3 4645 B9R1.59 CCOC1CC1C(=O)O MCULE-2083001018 [0,1,0,1,0,0|1,0,0]=3 4646 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O MCULE-4372225112 [0,1,0,1,0,0|1,0,0]=3 4647 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O MCULE-5085446325 [0,1,0,1,0,0|1,0,0]=3 4648 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [0,1,0,1,0,0|0,0,0]=2 4649 B9R1.66 CC1(CCCC(=O)C1)C MCULE-5947496314 [0,1,0,1,0,0|2,0,0]=4 4650 B9R1.66 CC1(CCCC(=O)N1)C MCULE-9506005736 [0,1,0,1,0,0|2,0,0]=4 4651 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,1,0,1,0,0|2,0,0]=4 4652 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,1,0,1,0,0|2,0,0]=4 4653 B9R1.66 O=C1CCCC(C1)(F)F MCULE-2940546181 [0,1,0,1,0,0|2,0,0]=4 4654 B9R1.66 O=S1(=O)CCCC(C1)O MCULE-4819801653 [0,1,0,1,0,0|1,0,1]=4 4655 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [0,1,0,1,0,0|1,0,0]=3 4656 B9R1.137 CC(CC(=O)O)C1CC1 MCULE-6791529668 [0,1,0,1,0,0|1,0,0]=3 4657 B9R1.137 CN(CC(=O)O)C1CC1 MCULE-7502980024 [0,1,0,1,0,0|2,0,0]=4 4658 B9R1.137 NC(CC(=O)O)C1CC1 MCULE-8804808816 [0,1,0,1,0,0|1,0,0]=3 4659 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9237422000 [0,1,0,1,0,0|1,0,0]=3 4660 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9835342571 [0,1,0,1,0,0|1,0,0]=3 4661 B9R1.137 O=C(O)CC(=O)C1CC1 MCULE-2843513529 [0,1,0,1,0,0|1,0,1]=4 4662 B9R1.171 CC(=O)CC1(CCC1)O MCULE-9059999179 [0,1,0,1,0,0|2,0,0]=4 4663 B9R1.171 CC1(CCC1)CC(=O)O MCULE-7933536922 [0,1,0,1,0,0|1,0,0]=3 4664 B9R1.171 CC1(COC1)CC(=O)O MCULE-6717906096 [0,1,0,1,0,0|2,0,0]=4 4665 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9066660105 [0,1,0,1,0,0|2,0,0]=4 4666 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9947560643 [0,1,0,1,0,0|2,0,0]=4 4667 B9R1.171 NC1(CCC1)CC(=O)O MCULE-2268387352 [0,1,0,1,0,0|1,0,0]=3 4668 B9R1.171 NC1(CCC1)CC(=O)O MCULE-7887308813 [0,1,0,1,0,0|1,0,0]=3 4669 B9R1.171 NC1(COC1)CC(=O)O MCULE-7347209492 [0,1,0,1,0,0|2,0,0]=4 4670 B9R1.171 O=C(O)CC1(CCC1)O MCULE-4697861595 [0,1,0,1,0,0|1,0,0]=3 4671 B9R1.171 O=C(O)CC1(COC1)F MCULE-8446148413 [0,1,0,1,0,0|2,0,0]=4 4672 B9R1.1 C=C1CCC(CC1)CO MCULE-2073650564 [0,1,0,1,0,0|2,0,0]=4 4673 B9R1.1 CC1=CCC(CC1)CO MCULE-6377131123 [0,1,0,1,0,0|2,0,0]=4 4674 B9R1.1 CCC1CCC(=O)CC1 MCULE-4419010963 [0,1,0,1,0,0|2,0,0]=4 4675 B9R1.1 NC1CCC(OC1)CO MCULE-4245301257 [0,1,0,1,0,0|1,0,1]=4 4676 B9R1.1 NC1CCC(OC1)CO MCULE-4483575448 [0,1,0,1,0,0|1,0,1]=4 4677 B9R1.1 NCC1CCC(=O)CC1 MCULE-6777974410 [0,1,0,1,0,0|2,0,0]=4 4678 B9R1.1 NCC1CCC(=O)CC1 MCULE-8440793392 [0,1,0,1,0,0|2,0,0]=4 4679 B9R1.1 NCC1CCC(=O)NC1 MCULE-5893065665 [0,1,0,1,0,0|2,0,0]=4 4680 B9R1.1 NCC1CCC(=O)NC1 MCULE-9881642861 [0,1,0,1,0,0|2,0,0]=4 4681 B9R1.1 NCC1CNC(=O)CO1 MCULE-1373630821 [0,1,0,1,0,0|2,0,0]=4 4682 B9R1.1 NCC1CNC(=O)CO1 MCULE-2564136433 [0,1,0,1,0,0|2,0,0]=4 4683 B9R1.1 NC[C@H]1CCC(=O)NC1 MCULE-9489755430 [0,1,0,1,0,0|2,0,0]=4 4684 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-5075594203 [0,1,0,1,0,0|1,0,1]=4 4685 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-6987959950 [0,1,0,1,0,0|1,0,1]=4 4686 B9R1.1 N[C@H]1CC[C@H](OC1)CO MCULE-2411909324 [0,1,0,1,0,0|1,0,1]=4 4687 B9R1.1 O=C1CCC(CC1)CBr MCULE-8223349080 [0,1,0,1,0,0|2,0,0]=4 4688 B9R1.1 O=C1CCC(CC1)CF MCULE-2139942920 [0,1,0,1,0,0|2,0,0]=4 4689 B9R1.1 O=C1CCC(CC1)CO MCULE-4178685012 [0,1,0,1,0,0|1,0,0]=3 4690 B9R1.1 O=C1CCC(CN1)CBr MCULE-4686085649 [0,1,0,1,0,0|2,0,0]=4 4691 B9R1.1 O=C1CCC(CN1)CO MCULE-5019571847 [0,1,0,1,0,0|1,0,0]=3 4692 B9R1.1 O=C1COC(CN1)CBr MCULE-8897613695 [0,1,0,1,0,0|2,0,0]=4 4693 B9R1.1 O=C1COC(CN1)CO MCULE-3703451145 [0,1,0,1,0,0|1,0,0]=3 4694 B9R1.1 O=C1COC(CN1)CO MCULE-5925278805 [0,1,0,1,0,0|1,0,0]=3 4695 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-1871269946 [0,1,0,1,0,0|1,0,0]=3 4696 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-9723228936 [0,1,0,1,0,0|1,0,0]=3 4697 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-2317836867 [0,1,0,1,0,0|1,0,0]=3 4698 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-9180023061 [0,1,0,1,0,0|1,0,0]=3 4699 B9R1.1 O=C1NCC(CN1)CO MCULE-7349716251 [0,1,0,1,0,0|2,0,0]=4 4700 B9R1.1 OCC1CCC(CC1)O MCULE-2821884453 [0,1,0,1,0,0|1,0,1]=4 4701 B9R1.1 OCC1CCC(CO1)O MCULE-4333559257 [0,1,0,1,0,0|0,0,2]=4 4702 B9R1.1 OC[C@H]1CC[C@@H](CC1)O MCULE-4903112146 [0,1,0,1,0,0|1,0,1]=4 4703 B9R1.1 OC[C@H]1CC[C@H](CC1)O MCULE-5364161264 [0,1,0,1,0,0|1,0,1]=4 4704 B9R1.2 C#CC1CCCC(=O)C1 MCULE-9347784864 [0,1,0,1,0,0|2,0,0]=4 4705 B9R1.2 C=CC1CCCC(=O)C1 MCULE-4962666890 [0,1,0,1,0,0|2,0,0]=4 4706 B9R1.2 CC1C=C(CCC1)C=O MCULE-8149754044 [0,1,0,1,0,0|2,0,0]=4 4707 B9R1.2 CC1CNCC(O1)CO MCULE-6915504187 [0,1,0,1,0,0|1,0,1]=4 4708 B9R1.2 CCC1=CC(=O)CCC1 MCULE-3934640256 [0,1,0,1,0,0|2,0,0]=4 4709 B9R1.2 CCC1CC(=O)CCN1 MCULE-1220676585 [0,1,0,1,0,0|2,0,0]=4 4710 B9R1.2 CCC1CC(=O)CCN1 MCULE-3141090997 [0,1,0,1,0,0|2,0,0]=4 4711 B9R1.2 CCC1CC(=O)CCO1 MCULE-5885330152 [0,1,0,1,0,0|2,0,0]=4 4712 B9R1.2 CCC1CCCC(=O)C1 MCULE-2309757845 [0,1,0,1,0,0|2,0,0]=4 4713 B9R1.2 CCC1CCCC(=O)N1 MCULE-7034650517 [0,1,0,1,0,0|2,0,0]=4 4714 B9R1.2 CCC1CCNC(=O)C1 MCULE-7827721769 [0,1,0,1,0,0|2,0,0]=4 4715 B9R1.2 CCC1CNCC(=O)N1 MCULE-1768212982 [0,1,0,1,0,0|2,0,0]=4 4716 B9R1.2 CCC1COCC(=O)N1 MCULE-1841359305 [0,1,0,1,0,0|2,0,0]=4 4717 B9R1.2 CCN1CCCC(=O)C1 MCULE-1438900169 [0,1,0,1,0,0|2,0,0]=4 4718 B9R1.2 CCN1CCCC(=O)C1 MCULE-2924579479 [0,1,0,1,0,0|2,0,0]=4 4719 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-6816021578 [0,1,0,1,0,0|2,0,0]=4 4720 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-7481609929 [0,1,0,1,0,0|2,0,0]=4 4721 B9R1.2 CC[C@@H]1CCCC(=O)C1 MCULE-3781767777 [0,1,0,1,0,0|2,0,0]=4 4722 B9R1.2 CC[C@@H]1COCC(=O)N1 MCULE-9098123465 [0,1,0,1,0,0|2,0,0]=4 4723 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-1797323490 [0,1,0,1,0,0|2,0,0]=4 4724 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-7692205564 [0,1,0,1,0,0|2,0,0]=4 4725 B9R1.2 CC[C@H]1CCCC(=O)C1 MCULE-5055612080 [0,1,0,1,0,0|2,0,0]=4 4726 B9R1.2 CC[C@H]1CNCC(=O)N1 MCULE-5604046217 [0,1,0,1,0,0|2,0,0]=4 4727 B9R1.2 COC1=CC(=O)CCC1 MCULE-7315684808 [0,1,0,1,0,0|1,0,1]=4 4728 B9R1.2 COC1CCCC(=O)C1 MCULE-4121364026 [0,1,0,1,0,0|1,0,0]=3 4729 B9R1.2 COC1CCCC(=O)N1 MCULE-3771491986 [0,1,0,1,0,0|1,0,0]=3 4730 B9R1.2 COC1CCCC(C1)O MCULE-2685242786 [0,1,0,1,0,0|1,0,1]=4 4731 B9R1.2 CO[C@@H]1CCC[C@@H](C1)O MCULE-3702179990 [0,1,0,1,0,0|1,0,1]=4 4732 B9R1.2 CO[C@@H]1CCC[C@@H](C1)O MCULE-5015018919 [0,1,0,1,0,0|1,0,1]=4 4733 B9R1.2 CO[C@@H]1CCC[C@@H](C1)O MCULE-6057275148 [0,1,0,1,0,0|1,0,1]=4 4734 B9R1.2 CSC1CCCC(=O)C1 MCULE-3076571291 [0,1,0,1,0,0|1,1,0]=4 4735 B9R1.2 C[C@@H]1CNC[C@H](O1)CO MCULE-4030187082 [0,1,0,1,0,0|1,0,1]=4 4736 B9R1.2 C[C@@H]1CNC[C@H](O1)CO MCULE-8521542499 [0,1,0,1,0,0|1,0,1]=4 4737 B9R1.2 C[C@H]1CNC[C@H](O1)CO MCULE-6331587635 [0,1,0,1,0,0|1,0,1]=4 4738 B9R1.2 C[C@H]1CNC[C@H](O1)CO MCULE-6791243811 [0,1,0,1,0,0|1,0,1]=4 4739 B9R1.2 N#CC1CCCC(=O)C1 MCULE-7187855455 [0,1,0,1,0,0|2,0,0]=4 4740 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,1,0,1,0,0|2,0,0]=4 4741 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,1,0,1,0,0|2,0,0]=4 4742 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,1,0,1,0,0|2,0,0]=4 4743 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,1,0,1,0,0|2,0,0]=4 4744 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,1,0,1,0,0|2,0,0]=4 4745 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [0,1,0,1,0,0|2,0,0]=4 4746 B9R1.2 NCC1CCNC(=O)O1 MCULE-4253031438 [0,1,0,1,0,0|1,0,0]=3 4747 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,1,0,1,0,0|2,0,0]=4 4748 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,1,0,1,0,0|2,0,0]=4 4749 B9R1.2 O=C1C=C(CCO1)CO MCULE-1101464960 [0,1,0,1,0,0|1,0,1]=4 4750 B9R1.2 O=C1CC(CCN1)CBr MCULE-5514747029 [0,1,0,1,0,0|2,0,0]=4 4751 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [0,1,0,1,0,0|1,0,0]=3 4752 B9R1.2 O=C1CCCC(C1)CF MCULE-4859859394 [0,1,0,1,0,0|2,0,0]=4 4753 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [0,1,0,1,0,0|1,0,0]=3 4754 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [0,1,0,1,0,0|1,0,0]=3 4755 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [0,1,0,1,0,0|1,0,0]=3 4756 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [0,1,0,1,0,0|1,0,0]=3 4757 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [0,1,0,1,0,0|1,0,0]=3 4758 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [0,1,0,1,0,0|1,0,0]=3 4759 B9R1.2 O=C1CNC[C@H](N1)CO MCULE-7459264375 [0,1,0,1,0,0|1,0,0]=3 4760 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [0,1,0,1,0,0|1,0,0]=3 4761 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [0,1,0,1,0,0|1,0,0]=3 4762 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [0,1,0,1,0,0|1,0,0]=3 4763 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [0,1,0,1,0,0|1,0,0]=3 4764 B9R1.2 O=S1OCCC(O1)CCl MCULE-2917940908 [0,1,0,1,0,0|2,0,0]=4 4765 B9R1.2 OC[C@@H]1C[C@@H](CCN1)O MCULE-6189374946 [0,1,0,1,0,0|1,0,1]=4 4766 B9R1.2 OC[C@@H]1C[C@@H](CCN1)O MCULE-7813341428 [0,1,0,1,0,0|1,0,1]=4 4767 B9R1.2 OC[C@H]1C[C@H](CCN1)O MCULE-6277104745 [0,1,0,1,0,0|1,0,1]=4 4768 B9R1.2 OC[C@H]1C[C@H](CCN1)O MCULE-9933354273 [0,1,0,1,0,0|1,0,1]=4 4769 B9R1.2 [C@H]1(CNC[C@@H](O1)CO)C MCULE-4259776230 [0,1,0,1,0,0|1,0,1]=4 4770 B9R1.3 CC1=C(C(CCC1)O)C MCULE-7202234917 [0,1,0,1,0,0|2,0,0]=4 4771 B9R1.3 CC1=C(CCCC1=O)O MCULE-2811033912 [0,1,0,1,0,0|1,0,1]=4 4772 B9R1.3 CC1CCCC(=O)C1=O MCULE-3677088238 [0,1,0,1,0,0|1,0,1]=4 4773 B9R1.3 CC1CCCC(=O)C1C MCULE-1705022712 [0,1,0,1,0,0|2,0,0]=4 4774 B9R1.3 CN1CCCC(C1=O)O MCULE-9396895370 [0,1,0,1,0,0|2,0,0]=4 4775 B9R1.3 NC1C(CCCC1O)O MCULE-1978359416 [0,1,0,1,0,0|1,0,1]=4 4776 B9R1.3 NC1CCCN(C1=O)O MCULE-1786572763 [0,1,0,1,0,0|2,0,0]=4 4777 B9R1.3 N[C@@H]1CCC[C@H]([C@@H]1O)O MCULE-7294484287 [0,1,0,1,0,0|1,0,1]=4 4778 B9R1.3 N[C@H]1CCC[C@@H]([C@@H]1O)O MCULE-4901407173 [0,1,0,1,0,0|1,0,1]=4 4779 B9R1.3 N[C@H]1CCC[C@H]([C@@H]1O)O MCULE-2706489441 [0,1,0,1,0,0|1,0,1]=4 4780 B9R1.3 O=C1CCCC(=C1Br)O MCULE-8690607372 [0,1,0,1,0,0|1,0,1]=4 4781 B9R1.3 O=C1CCCC(=C1Cl)O MCULE-2266106107 [0,1,0,1,0,0|1,0,1]=4 4782 B9R1.3 O=C1CCCC(=C1F)O MCULE-5456728328 [0,1,0,1,0,0|1,0,1]=4 4783 B9R1.3 O=C1CCCC(=C1I)O MCULE-5138602231 [0,1,0,1,0,0|1,0,1]=4 4784 B9R1.3 O=C1CCCC(C1=O)Br MCULE-4868069859 [0,1,0,1,0,0|1,0,1]=4 4785 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,1,0,1,0,0|2,0,0]=4 4786 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,1,0,1,0,0|2,0,0]=4 4787 B9R1.3 OC1CCCC(C1O)O MCULE-2835511427 [0,1,0,1,0,0|0,0,2]=4 4788 B9R1.3 [C@@H]1(CCC[C@H]([C@@H]1N)O)O MCULE-9327450801 [0,1,0,1,0,0|1,0,1]=4 4789 B9R1.5 CC1CCCCCC1=O MCULE-3737709008 [0,1,0,1,0,0|2,0,0]=4 4790 B9R1.5 CC1CCCCNC1=O MCULE-6519247850 [0,1,0,1,0,0|2,0,0]=4 4791 B9R1.5 CC1OCCCNC1=O MCULE-1643502257 [0,1,0,1,0,0|2,0,0]=4 4792 B9R1.5 CN1CCCCCC1=O MCULE-7241062208 [0,1,0,1,0,0|2,0,0]=4 4793 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [0,1,0,1,0,0|2,0,0]=4 4794 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [0,1,0,1,0,0|2,0,0]=4 4795 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [0,1,0,1,0,0|2,0,0]=4 4796 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [0,1,0,1,0,0|2,0,0]=4 4797 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [0,1,0,1,0,0|2,0,0]=4 4798 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [0,1,0,1,0,0|2,0,0]=4 4799 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [0,1,0,1,0,0|2,0,0]=4 4800 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [0,1,0,1,0,0|2,0,0]=4 4801 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [0,1,0,1,0,0|2,0,0]=4 4802 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [0,1,0,1,0,0|2,0,0]=4 4803 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [0,1,0,1,0,0|2,0,0]=4 4804 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [0,1,0,1,0,0|2,0,0]=4 4805 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [0,1,0,1,0,0|2,0,0]=4 4806 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [0,1,0,1,0,0|2,0,0]=4 4807 B9R1.5 O=C1CCCCCC1=O MCULE-5149160405 [0,1,0,1,0,0|1,0,1]=4 4808 B9R1.5 O=C1CCCCCC1Br MCULE-8987490106 [0,1,0,1,0,0|2,0,0]=4 4809 B9R1.5 O=C1CCCCCC1Cl MCULE-8475724231 [0,1,0,1,0,0|2,0,0]=4 4810 B9R1.5 O=C1CCCCCC1F MCULE-9375666074 [0,1,0,1,0,0|2,0,0]=4 4811 B9R1.5 O=C1CCCCCC1O MCULE-1763055677 [0,1,0,1,0,0|1,0,0]=3 4812 B9R1.5 O=C1CCCCCN1Br MCULE-9229859393 [0,1,0,1,0,0|2,0,0]=4 4813 B9R1.5 O=C1CNCCCC1F MCULE-6506742195 [0,1,0,1,0,0|2,0,0]=4 4814 B9R1.5 O=C1CNCCCC1F MCULE-9667202528 [0,1,0,1,0,0|2,0,0]=4 4815 B9R1.5 O=C1NCCCCC1Br MCULE-1879428965 [0,1,0,1,0,0|2,0,0]=4 4816 B9R1.11 C1(CCNC1)C(=O)OC MCULE-6356797990 [0,1,0,1,0,0|2,0,0]=4 4817 B9R1.11 C1(CCNC1)C(=O)OC MCULE-7101201723 [0,1,0,1,0,0|2,0,0]=4 4818 B9R1.11 C1(CCNC1)C(=O)OC MCULE-8951983412 [0,1,0,1,0,0|2,0,0]=4 4819 B9R1.11 C1(CCOC1)C(=O)OC MCULE-6831054690 [0,1,0,1,0,0|2,0,0]=4 4820 B9R1.11 CCC(=O)C1CCCC1 MCULE-4431631098 [0,1,0,1,0,0|2,0,0]=4 4821 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-1661804964 [0,1,0,1,0,0|2,0,0]=4 4822 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-8456135152 [0,1,0,1,0,0|2,0,0]=4 4823 B9R1.11 CNC(=O)C1CCCC1 MCULE-1170525718 [0,1,0,1,0,0|2,0,0]=4 4824 B9R1.11 CNC(=O)C1CCCN1 MCULE-1783490658 [0,1,0,1,0,0|2,0,0]=4 4825 B9R1.11 CNC(=O)C1CCCN1 MCULE-5014608316 [0,1,0,1,0,0|2,0,0]=4 4826 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-3668444015 [0,1,0,1,0,0|2,0,0]=4 4827 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7344672390 [0,1,0,1,0,0|2,0,0]=4 4828 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7586915644 [0,1,0,1,0,0|2,0,0]=4 4829 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-8093231474 [0,1,0,1,0,0|2,0,0]=4 4830 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-9455499550 [0,1,0,1,0,0|2,0,0]=4 4831 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-1131638831 [0,1,0,1,0,0|2,0,0]=4 4832 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4056775238 [0,1,0,1,0,0|2,0,0]=4 4833 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4223546600 [0,1,0,1,0,0|2,0,0]=4 4834 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-6583071684 [0,1,0,1,0,0|2,0,0]=4 4835 B9R1.11 COC(=N)C1CCCC1 MCULE-3923627958 [0,1,0,1,0,0|2,0,0]=4 4836 B9R1.11 COC(=N)C1CCCC1 MCULE-5894752285 [0,1,0,1,0,0|2,0,0]=4 4837 B9R1.11 COC(=O)C1=CCCC1 MCULE-3606282792 [0,1,0,1,0,0|1,0,1]=4 4838 B9R1.11 COC(=O)C1CCCC1 MCULE-6212031690 [0,1,0,1,0,0|1,0,0]=3 4839 B9R1.11 COC(=O)C1CCCN1 MCULE-3132842932 [0,1,0,1,0,0|1,0,0]=3 4840 B9R1.11 COC(=O)C1CCCN1 MCULE-5268897425 [0,1,0,1,0,0|1,0,0]=3 4841 B9R1.11 COC(=O)C1CCCN1 MCULE-6168730709 [0,1,0,1,0,0|1,0,0]=3 4842 B9R1.11 COC(=O)C1CCCN1 MCULE-8316785654 [0,1,0,1,0,0|1,0,0]=3 4843 B9R1.11 COC(=O)C1CCCO1 MCULE-2538391455 [0,1,0,1,0,0|0,0,0]=2 4844 B9R1.11 COC(=O)C1CCCS1 MCULE-8875125328 [0,1,0,1,0,0|0,1,0]=3 4845 B9R1.11 COC(=O)C1CCNC1 MCULE-1630900792 [0,1,0,1,0,0|2,0,0]=4 4846 B9R1.11 COC(=O)C1CCNC1 MCULE-5845908055 [0,1,0,1,0,0|2,0,0]=4 4847 B9R1.11 COC(=O)C1CCNC1 MCULE-8849407954 [0,1,0,1,0,0|2,0,0]=4 4848 B9R1.11 COC(=O)C1CCOC1 MCULE-8088199992 [0,1,0,1,0,0|2,0,0]=4 4849 B9R1.11 COC(=O)C1CSCN1 MCULE-5351052142 [0,1,0,1,0,0|2,0,0]=4 4850 B9R1.11 COC(=O)C1CSCN1 MCULE-9093296447 [0,1,0,1,0,0|2,0,0]=4 4851 B9R1.11 COC(=O)C1NCCS1 MCULE-8142325663 [0,1,0,1,0,0|1,1,0]=4 4852 B9R1.11 COC(=O)C1[NH2+]CCS1 MCULE-5863059145 [0,1,0,1,0,0|1,1,0]=4 4853 B9R1.11 COC(=O)N1CCCC1 MCULE-1240116216 [0,1,0,1,0,0|2,0,0]=4 4854 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-1981658590 [0,1,0,1,0,0|1,0,0]=3 4855 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-6907716746 [0,1,0,1,0,0|1,0,0]=3 4856 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-8031793722 [0,1,0,1,0,0|1,0,0]=3 4857 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-9787777328 [0,1,0,1,0,0|1,0,0]=3 4858 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-3233941315 [0,1,0,1,0,0|2,0,0]=4 4859 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-4138957644 [0,1,0,1,0,0|2,0,0]=4 4860 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-5401828810 [0,1,0,1,0,0|2,0,0]=4 4861 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-6948701888 [0,1,0,1,0,0|2,0,0]=4 4862 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-7639173642 [0,1,0,1,0,0|2,0,0]=4 4863 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-9871868573 [0,1,0,1,0,0|2,0,0]=4 4864 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-2786445237 [0,1,0,1,0,0|2,0,0]=4 4865 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-6419806426 [0,1,0,1,0,0|2,0,0]=4 4866 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-5459284567 [0,1,0,1,0,0|2,0,0]=4 4867 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-6009801924 [0,1,0,1,0,0|2,0,0]=4 4868 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-1925865650 [0,1,0,1,0,0|1,0,0]=3 4869 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-3950222089 [0,1,0,1,0,0|1,0,0]=3 4870 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-4251030243 [0,1,0,1,0,0|1,0,0]=3 4871 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-8974101732 [0,1,0,1,0,0|1,0,0]=3 4872 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-3002947292 [0,1,0,1,0,0|2,0,0]=4 4873 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-4023088392 [0,1,0,1,0,0|2,0,0]=4 4874 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-5206857621 [0,1,0,1,0,0|2,0,0]=4 4875 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7688050113 [0,1,0,1,0,0|2,0,0]=4 4876 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7976156203 [0,1,0,1,0,0|2,0,0]=4 4877 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-9431553560 [0,1,0,1,0,0|2,0,0]=4 4878 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-4215481469 [0,1,0,1,0,0|2,0,0]=4 4879 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-9152113033 [0,1,0,1,0,0|2,0,0]=4 4880 B9R1.11 N/C(=N\O)/C1CCCC1 MCULE-6643830969 [0,1,0,1,0,0|2,0,0]=4 4881 B9R1.11 N/C(=N\O)/C1CCCO1 MCULE-2644350923 [0,1,0,1,0,0|1,0,0]=3 4882 B9R1.11 NC(CO)C1CCCO1 MCULE-1115414738 [0,1,0,1,0,0|1,0,1]=4 4883 B9R1.11 NCC(=O)C1CCCC1 MCULE-2498486150 [0,1,0,1,0,0|2,0,0]=4 4884 B9R1.11 NCC(=O)C1CCCC1 MCULE-5406973286 [0,1,0,1,0,0|2,0,0]=4 4885 B9R1.11 NCC(=O)N1CCCO1 MCULE-2938129141 [0,1,0,1,0,0|2,0,0]=4 4886 B9R1.11 NCC(=O)N1CCCO1 MCULE-4442085417 [0,1,0,1,0,0|2,0,0]=4 4887 B9R1.11 NCC(O)C1CCCO1 MCULE-1674634827 [0,1,0,1,0,0|1,0,1]=4 4888 B9R1.11 NNC(=O)C1CCCC1 MCULE-5436769120 [0,1,0,1,0,0|2,0,0]=4 4889 B9R1.11 NNC(=O)C1CCCO1 MCULE-7320789673 [0,1,0,1,0,0|1,0,0]=3 4890 B9R1.11 NNC(=O)C1CCCO1 MCULE-9371435722 [0,1,0,1,0,0|1,0,0]=3 4891 B9R1.11 NNC(=O)C1CCCS1 MCULE-3948986935 [0,1,0,1,0,0|1,1,0]=4 4892 B9R1.11 NNC(=O)[C@@H]1CCCO1 MCULE-4678621422 [0,1,0,1,0,0|1,0,0]=3 4893 B9R1.11 NNC(=O)[C@H]1CCCO1 MCULE-2795201954 [0,1,0,1,0,0|1,0,0]=3 4894 B9R1.11 O=C(CBr)C1CCCC1 MCULE-4985111490 [0,1,0,1,0,0|2,0,0]=4 4895 B9R1.11 O=C(CBr)C1CCCO1 MCULE-9978996372 [0,1,0,1,0,0|1,0,0]=3 4896 B9R1.11 O=C(CCl)C1CCCC1 MCULE-7395779538 [0,1,0,1,0,0|2,0,0]=4 4897 B9R1.11 O=C(CCl)C1CCCN1 MCULE-3650713124 [0,1,0,1,0,0|2,0,0]=4 4898 B9R1.11 O=C(CCl)C1CCCO1 MCULE-4619044936 [0,1,0,1,0,0|1,0,0]=3 4899 B9R1.11 O=C(CO)N1CCCC1 MCULE-6227389604 [0,1,0,1,0,0|2,0,0]=4 4900 B9R1.11 O=C(NO)C1=CCCC1 MCULE-3789818826 [0,1,0,1,0,0|1,0,1]=4 4901 B9R1.11 O=C(NO)C1CCCC1 MCULE-3511706426 [0,1,0,1,0,0|1,0,0]=3 4902 B9R1.21 OCC1CCC(N1)CO MCULE-1103775354 [0,1,0,1,0,0|1,0,1]=4 4903 B9R1.21 OCC1CCC(O1)CO MCULE-3334782559 [0,1,0,1,0,0|0,0,2]=4 4904 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO MCULE-5217154467 [0,1,0,1,0,0|0,0,2]=4 4905 B9R1.49 CC1CCCC(=O)CC1 MCULE-8026581790 [0,1,0,1,0,0|2,0,0]=4 4906 B9R1.49 CC1CCNC(=O)CC1 MCULE-4158970437 [0,1,0,1,0,0|2,0,0]=4 4907 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,1,0,1,0,0|2,0,0]=4 4908 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,1,0,1,0,0|2,0,0]=4 4909 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,1,0,1,0,0|2,0,0]=4 4910 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,1,0,1,0,0|2,0,0]=4 4911 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [0,1,0,1,0,0|1,0,1]=4 4912 B9R1.49 O=C1CCCC(CC1)F MCULE-3071750497 [0,1,0,1,0,0|2,0,0]=4 4913 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,1,0,1,0,0|1,0,0]=3 4914 B9R1.50 O=C1C=CCCCCC1 MCULE-8923461119 [0,1,0,1,0,0|2,0,0]=4 4915 B9R1.50 O=C1CCCCCCC1 MCULE-1352803313 [0,1,0,1,0,0|2,0,0]=4 4916 B9R1.50 O=C1CCCCCCN1 MCULE-4051743080 [0,1,0,1,0,0|2,0,0]=4 4917 B9R1.50 O=C1CCCCCCO1 MCULE-5149380112 [0,1,0,1,0,0|1,0,0]=3 4918 B9R1.50 O=C1CCNCCCN1 MCULE-8530271368 [0,1,0,1,0,0|2,0,0]=4 4919 B9R1.50 O=C1CCNCCCN1 MCULE-9622115909 [0,1,0,1,0,0|2,0,0]=4 4920 B9R1.50 O=C1CNCCCNC1 MCULE-1626282034 [0,1,0,1,0,0|2,0,0]=4 4921 B9R1.50 O=C1CNCCCNC1 MCULE-7735828109 [0,1,0,1,0,0|2,0,0]=4 4922 B9R1.50 O=C1NCCCCCN1 MCULE-7237090911 [0,1,0,1,0,0|2,0,0]=4 4923 B9R1.79 COC(=O)CC1CCC1 MCULE-7297223119 [0,1,0,1,0,0|1,0,0]=3 4924 B9R1.79 COC(=O)CC1CCN1 MCULE-5492491091 [0,1,0,1,0,0|1,0,0]=3 4925 B9R1.79 COC(=O)CC1CCN1 MCULE-7371172089 [0,1,0,1,0,0|1,0,0]=3 4926 B9R1.79 COC(=O)CC1CNC1 MCULE-2445048395 [0,1,0,1,0,0|2,0,0]=4 4927 B9R1.79 COC(=O)CC1CNC1 MCULE-9252830951 [0,1,0,1,0,0|2,0,0]=4 4928 B9R1.79 COC(=O)CC1CNC1 MCULE-9300092140 [0,1,0,1,0,0|2,0,0]=4 4929 B9R1.79 COC(=O)CC1COC1 MCULE-7278428922 [0,1,0,1,0,0|2,0,0]=4 4930 B9R1.79 COC(=O)C[C@@H]1CCN1 MCULE-4458752801 [0,1,0,1,0,0|1,0,0]=3 4931 B9R1.79 COC(=O)C[C@@H]1CCN1 MCULE-7871731865 [0,1,0,1,0,0|1,0,0]=3 4932 B9R1.79 COC(=O)C[C@H]1CCN1 MCULE-3605148245 [0,1,0,1,0,0|1,0,0]=3 4933 B9R1.79 COC(=O)C[C@H]1CCN1 MCULE-5459320153 [0,1,0,1,0,0|1,0,0]=3 4934 B9R1.79 O=C(CBr)CC1CCC1 MCULE-1237225227 [0,1,0,1,0,0|2,0,0]=4 4935 B9R1.80 C=CC(=O)OCC1CO1 MCULE-6559949120 [0,1,0,1,0,0|2,0,0]=4 4936 B9R1.80 COC(=O)CCC1CO1 MCULE-7910688500 [0,1,0,1,0,0|0,0,0]=2 4937 B9R1.80 COC(=O)CNC1CC1 MCULE-9357505044 [0,1,0,1,0,0|2,0,0]=4 4938 B9R1.80 COC(=O)CNC1CC1 MCULE-9589370378 [0,1,0,1,0,0|2,0,0]=4 4939 B9R1.81 COC(=O)C1CCC1N MCULE-4693145444 [0,1,0,1,0,0|1,0,0]=3 4940 B9R1.81 COC(=O)C1CCC1N MCULE-6349653007 [0,1,0,1,0,0|1,0,0]=3 4941 B9R1.81 COC(=O)C1CCC1N MCULE-9208418191 [0,1,0,1,0,0|1,0,0]=3 4942 B9R1.81 COC(=O)C1CNC1C MCULE-3916227394 [0,1,0,1,0,0|2,0,0]=4 4943 B9R1.81 COC(=O)C1CNC1C MCULE-8563024829 [0,1,0,1,0,0|2,0,0]=4 4944 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3799679764 [0,1,0,1,0,0|1,0,0]=3 4945 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3866135678 [0,1,0,1,0,0|1,0,0]=3 4946 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-5783135311 [0,1,0,1,0,0|1,0,0]=3 4947 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7358443789 [0,1,0,1,0,0|1,0,0]=3 4948 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7787337160 [0,1,0,1,0,0|1,0,0]=3 4949 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-9352998200 [0,1,0,1,0,0|1,0,0]=3 4950 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-5985438267 [0,1,0,1,0,0|1,0,0]=3 4951 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-6739441737 [0,1,0,1,0,0|1,0,0]=3 4952 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8406342632 [0,1,0,1,0,0|1,0,0]=3 4953 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8945046053 [0,1,0,1,0,0|1,0,0]=3 4954 B9R1.81 COC(=O)[C@H]1CC[C@H]1N MCULE-7383295864 [0,1,0,1,0,0|1,0,0]=3 4955 B9R1.88 C#C[C@H]1C[C@H]1C(=O)OC MCULE-9790953077 [0,1,0,1,0,0|1,0,1]=4 4956 B9R1.88 COC(=O)C1CC1C#N MCULE-8556811571 [0,1,0,1,0,0|1,0,1]=4 4957 B9R1.88 COC(=O)C1CC1CN MCULE-1236079239 [0,1,0,1,0,0|1,0,0]=3 4958 B9R1.88 COC(=O)C1CC1CN MCULE-4562850748 [0,1,0,1,0,0|1,0,0]=3 4959 B9R1.88 COC(=O)C1CC1CO MCULE-5565427339 [0,1,0,1,0,0|0,0,0]=2 4960 B9R1.88 COC(=O)[C@@H]1C[C@H]1CBr MCULE-3300025556 [0,1,0,1,0,0|1,0,0]=3 4961 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-3830996710 [0,1,0,1,0,0|0,0,0]=2 4962 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-8401143479 [0,1,0,1,0,0|0,0,0]=2 4963 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO MCULE-2397945276 [0,1,0,1,0,0|0,0,0]=2 4964 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO MCULE-8447681594 [0,1,0,1,0,0|1,0,0]=3 4965 B9R1.89 COC1=NCCCCC1 MCULE-5138053123 [0,1,0,1,0,0|2,0,0]=4 4966 B9R1.89 O/N=C\1/CCCCCN1 MCULE-5890990549 [0,1,0,1,0,0|2,0,0]=4 4967 B9R1.89 O=CC1=CCCCCC1 MCULE-8414068028 [0,1,0,1,0,0|2,0,0]=4 4968 B9R1.89 ON=C1CCCCCC1 MCULE-4992018002 [0,1,0,1,0,0|2,0,0]=4 4969 B9R1.118 CC1(CCCCO1)C=O MCULE-9760251174 [0,1,0,1,0,0|1,0,1]=4 4970 B9R1.118 CC1(CCCCO1)CO MCULE-1474953219 [0,1,0,1,0,0|1,0,1]=4 4971 B9R1.132 CCC1=C(C(=O)CC1)O MCULE-3983794608 [0,1,0,1,0,0|1,0,1]=4 4972 B9R1.132 CN1C(=O)CCC1CBr MCULE-9411477362 [0,1,0,1,0,0|2,0,0]=4 4973 B9R1.132 CN1C(=O)CCC1CN MCULE-5871779409 [0,1,0,1,0,0|2,0,0]=4 4974 B9R1.132 CN1C(=O)CCC1CN MCULE-8080412333 [0,1,0,1,0,0|2,0,0]=4 4975 B9R1.132 CN1C(=O)CCC1CO MCULE-1191755112 [0,1,0,1,0,0|1,0,0]=3 4976 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-8818444582 [0,1,0,1,0,0|2,0,0]=4 4977 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-9421193159 [0,1,0,1,0,0|2,0,0]=4 4978 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-3774785586 [0,1,0,1,0,0|1,0,0]=3 4979 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-6918454394 [0,1,0,1,0,0|1,0,0]=3 4980 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-2222415070 [0,1,0,1,0,0|2,0,0]=4 4981 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-5580238692 [0,1,0,1,0,0|2,0,0]=4 4982 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-2827633861 [0,1,0,1,0,0|1,0,0]=3 4983 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-6009129420 [0,1,0,1,0,0|1,0,0]=3 4984 B9R1.132 CN1C(=O)OCC1CO MCULE-8007610205 [0,1,0,1,0,0|2,0,0]=4 4985 B9R1.132 CN1CCC(C1=O)CO MCULE-4783255632 [0,1,0,1,0,0|2,0,0]=4 4986 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [0,1,0,1,0,0|1,0,1]=4 4987 B9R1.6 C1(CCCNC1)C(=O)N MCULE-1974021716 [0,1,0,1,0,0|2,0,0]=4 4988 B9R1.6 C1(CCCNC1)C(=O)N MCULE-3484822743 [0,1,0,1,0,0|2,0,0]=4 4989 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [0,1,0,1,0,0|1,0,0]=3 4990 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [0,1,0,1,0,0|1,0,0]=3 4991 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [0,1,0,1,0,0|1,0,0]=3 4992 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [0,1,0,1,0,0|1,0,0]=3 4993 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [0,1,0,1,0,0|1,0,0]=3 4994 B9R1.6 C=C(O)C1CNCCN1 MCULE-4032832858 [0,1,0,1,0,0|2,0,0]=4 4995 B9R1.6 C=C(O)C1CNCCN1 MCULE-7014741917 [0,1,0,1,0,0|2,0,0]=4 4996 B9R1.6 CC(=O)C1=CCCCC1 MCULE-9958324589 [0,1,0,1,0,0|2,0,0]=4 4997 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8103583007 [0,1,0,1,0,0|2,0,0]=4 4998 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8275418154 [0,1,0,1,0,0|2,0,0]=4 4999 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [0,1,0,1,0,0|2,0,0]=4 5000 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [0,1,0,1,0,0|2,0,0]=4 5001 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [0,1,0,1,0,0|2,0,0]=4 5002 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [0,1,0,1,0,0|1,0,0]=3 5003 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [0,1,0,1,0,0|2,0,0]=4 5004 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [0,1,0,1,0,0|2,0,0]=4 5005 B9R1.6 CC(=O)C1CCCOC1 MCULE-8355092375 [0,1,0,1,0,0|1,0,0]=3 5006 B9R1.6 CC(=O)C1CCNCC1 MCULE-5629644359 [0,1,0,1,0,0|2,0,0]=4 5007 B9R1.6 CC(=O)C1CCNCC1 MCULE-7994490746 [0,1,0,1,0,0|2,0,0]=4 5008 B9R1.6 CC(=O)C1CCOCC1 MCULE-4829713073 [0,1,0,1,0,0|2,0,0]=4 5009 B9R1.6 CC(=O)C1CCSCC1 MCULE-1825777359 [0,1,0,1,0,0|2,0,0]=4 5010 B9R1.6 CC(=O)C1CNCCO1 MCULE-1332213026 [0,1,0,1,0,0|1,0,0]=3 5011 B9R1.6 CC(=O)C1CNCCO1 MCULE-8599628301 [0,1,0,1,0,0|1,0,0]=3 5012 B9R1.6 CC(=O)C1COCCO1 MCULE-5168266299 [0,1,0,1,0,0|1,0,0]=3 5013 B9R1.6 CC(=O)N1CCCCC1 MCULE-2376049669 [0,1,0,1,0,0|2,0,0]=4 5014 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [0,1,0,1,0,0|2,0,0]=4 5015 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [0,1,0,1,0,0|2,0,0]=4 5016 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [0,1,0,1,0,0|2,0,0]=4 5017 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [0,1,0,1,0,0|2,0,0]=4 5018 B9R1.6 CC(O)C1CNCCO1 MCULE-5611108274 [0,1,0,1,0,0|1,0,1]=4 5019 B9R1.6 NC(=O)C1=COCCC1 MCULE-1179770781 [0,1,0,1,0,0|1,0,1]=4 5020 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [0,1,0,1,0,0|2,0,0]=4 5021 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [0,1,0,1,0,0|2,0,0]=4 5022 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [0,1,0,1,0,0|2,0,0]=4 5023 B9R1.6 NC(=O)C1CCCNC1 MCULE-1833696438 [0,1,0,1,0,0|2,0,0]=4 5024 B9R1.6 NC(=O)C1CCCNC1 MCULE-5902080067 [0,1,0,1,0,0|2,0,0]=4 5025 B9R1.6 NC(=O)C1CCCOC1 MCULE-3754898627 [0,1,0,1,0,0|1,0,0]=3 5026 B9R1.6 NC(=O)C1CCNCC1 MCULE-8206211805 [0,1,0,1,0,0|2,0,0]=4 5027 B9R1.6 NC(=O)C1CCNCC1 MCULE-8840746533 [0,1,0,1,0,0|2,0,0]=4 5028 B9R1.6 NC(=O)C1CCOCC1 MCULE-1626473774 [0,1,0,1,0,0|2,0,0]=4 5029 B9R1.6 NC(=O)C1CNCCN1 MCULE-6032361805 [0,1,0,1,0,0|2,0,0]=4 5030 B9R1.6 NC(=O)C1CNCCN1 MCULE-7459621704 [0,1,0,1,0,0|2,0,0]=4 5031 B9R1.6 NC(=O)C1CNCCO1 MCULE-7045289444 [0,1,0,1,0,0|1,0,0]=3 5032 B9R1.6 NC(=O)C1CNCCO1 MCULE-8403360257 [0,1,0,1,0,0|1,0,0]=3 5033 B9R1.6 NC(=O)C1CNCCO1 MCULE-8477654103 [0,1,0,1,0,0|1,0,0]=3 5034 B9R1.6 NC(=O)C1COCCN1 MCULE-3997305592 [0,1,0,1,0,0|2,0,0]=4 5035 B9R1.6 NC(=O)C1COCCN1 MCULE-8679226087 [0,1,0,1,0,0|2,0,0]=4 5036 B9R1.6 NC(=O)C1CSCCN1 MCULE-5519659168 [0,1,0,1,0,0|2,0,0]=4 5037 B9R1.6 NC(=O)N1CCCCC1 MCULE-9935688246 [0,1,0,1,0,0|2,0,0]=4 5038 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-1302948446 [0,1,0,1,0,0|2,0,0]=4 5039 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-3790099707 [0,1,0,1,0,0|2,0,0]=4 5040 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-4105759578 [0,1,0,1,0,0|2,0,0]=4 5041 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-6022899132 [0,1,0,1,0,0|2,0,0]=4 5042 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3203472135 [0,1,0,1,0,0|2,0,0]=4 5043 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3866777440 [0,1,0,1,0,0|2,0,0]=4 5044 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-6105431602 [0,1,0,1,0,0|2,0,0]=4 5045 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-7727900968 [0,1,0,1,0,0|2,0,0]=4 5046 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [0,1,0,1,0,0|2,0,0]=4 5047 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-3568267883 [0,1,0,1,0,0|2,0,0]=4 5048 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-6403292667 [0,1,0,1,0,0|2,0,0]=4 5049 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-7433087477 [0,1,0,1,0,0|2,0,0]=4 5050 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-9069766695 [0,1,0,1,0,0|2,0,0]=4 5051 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-1527418805 [0,1,0,1,0,0|2,0,0]=4 5052 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-6529490056 [0,1,0,1,0,0|2,0,0]=4 5053 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-9894216692 [0,1,0,1,0,0|2,0,0]=4 5054 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-1904729907 [0,1,0,1,0,0|2,0,0]=4 5055 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7069433109 [0,1,0,1,0,0|2,0,0]=4 5056 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7970834070 [0,1,0,1,0,0|2,0,0]=4 5057 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-9117686776 [0,1,0,1,0,0|2,0,0]=4 5058 B9R1.6 NC(=S)C1CCCOC1 MCULE-7147213341 [0,1,0,1,0,0|1,1,0]=4 5059 B9R1.6 O=C(Cl)C1=CCCCC1 MCULE-8228686007 [0,1,0,1,0,0|2,0,0]=4 5060 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [0,1,0,1,0,0|2,0,0]=4 5061 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [0,1,0,1,0,0|1,0,0]=3 5062 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-6549888109 [0,1,0,1,0,0|2,0,0]=4 5063 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-7154842850 [0,1,0,1,0,0|2,0,0]=4 5064 B9R1.6 O=C(Cl)C1CCOCC1 MCULE-5435965006 [0,1,0,1,0,0|2,0,0]=4 5065 B9R1.6 O=C(Cl)C1CCSCC1 MCULE-2089111376 [0,1,0,1,0,0|2,0,0]=4 5066 B9R1.6 O=C(Cl)N1CCCCC1 MCULE-8197895576 [0,1,0,1,0,0|2,0,0]=4 5067 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,1,0,1,0,0|1,0,0]=3 5068 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [0,1,0,1,0,0|0,0,1]=3 5069 B9R1.6 O=C(O)C1=CCCNC1 MCULE-7878143035 [0,1,0,1,0,0|1,0,1]=4 5070 B9R1.6 O=C(O)C1=CCCNC1 MCULE-9382105537 [0,1,0,1,0,0|1,0,1]=4 5071 B9R1.6 O=C(O)C1=CCCOC1 MCULE-4597846034 [0,1,0,1,0,0|0,0,2]=4 5072 B9R1.6 O=C(O)C1=CCCSC1 MCULE-6991730217 [0,1,0,1,0,0|1,0,1]=4 5073 B9R1.6 O=C(O)C1=CCNCC1 MCULE-7813592729 [0,1,0,1,0,0|1,0,1]=4 5074 B9R1.6 O=C(O)C1=CCNCC1 MCULE-9446043448 [0,1,0,1,0,0|1,0,1]=4 5075 B9R1.6 O=C(O)C1=CCOCC1 MCULE-8602474600 [0,1,0,1,0,0|1,0,1]=4 5076 B9R1.6 O=C(O)C1=COCCC1 MCULE-4203786677 [0,1,0,1,0,0|0,0,1]=3 5077 B9R1.6 O=C(O)C1=COCCO1 MCULE-9406944236 [0,1,0,1,0,0|0,0,2]=4 5078 B9R1.6 O=C(O)C1=NNCCC1 MCULE-7500831474 [0,1,0,1,0,0|1,0,1]=4 5079 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [0,1,0,1,0,0|1,0,0]=3 5080 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [0,1,0,1,0,0|1,0,1]=4 5081 B9R1.6 O=C(O)C1CC=CCO1 MCULE-5751437850 [0,1,0,1,0,0|0,0,1]=3 5082 B9R1.6 O=C(O)C1CCC=CO1 MCULE-6447977583 [0,1,0,1,0,0|0,0,1]=3 5083 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,1,0,1,0,0|1,0,0]=3 5084 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,1,0,1,0,0|1,0,0]=3 5085 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,1,0,1,0,0|1,0,0]=3 5086 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,1,0,1,0,0|1,0,0]=3 5087 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,1,0,1,0,0|1,0,0]=3 5088 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,1,0,1,0,0|0,0,0]=2 5089 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,1,0,1,0,0|0,1,0]=3 5090 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [0,1,0,1,0,0|1,0,0]=3 5091 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [0,1,0,1,0,0|1,0,0]=3 5092 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [0,1,0,1,0,0|1,0,0]=3 5093 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [0,1,0,1,0,0|1,0,0]=3 5094 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [0,1,0,1,0,0|1,0,0]=3 5095 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [0,1,0,1,0,0|0,0,0]=2 5096 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,1,0,1,0,0|0,1,0]=3 5097 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,1,0,1,0,0|1,0,0]=3 5098 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,1,0,1,0,0|1,0,0]=3 5099 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,1,0,1,0,0|1,0,0]=3 5100 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,1,0,1,0,0|1,0,0]=3 5101 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,1,0,1,0,0|1,0,0]=3 5102 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,1,0,1,0,0|1,0,0]=3 5103 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,1,0,1,0,0|1,0,0]=3 5104 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,1,0,1,0,0|1,0,0]=3 5105 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [0,1,0,1,0,0|1,0,0]=3 5106 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [0,1,0,1,0,0|1,0,0]=3 5107 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [0,1,0,1,0,0|1,0,0]=3 5108 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [0,1,0,1,0,0|0,0,0]=2 5109 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [0,1,0,1,0,0|0,0,0]=2 5110 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [0,1,0,1,0,0|0,0,0]=2 5111 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [0,1,0,1,0,0|0,0,0]=2 5112 B9R1.6 O=C(O)C1CNCCS1 MCULE-3981762124 [0,1,0,1,0,0|0,1,0]=3 5113 B9R1.6 O=C(O)C1CNCCS1 MCULE-4631923202 [0,1,0,1,0,0|0,1,0]=3 5114 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [0,1,0,1,0,0|1,0,0]=3 5115 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [0,1,0,1,0,0|1,0,0]=3 5116 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [0,1,0,1,0,0|0,0,0]=2 5117 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [0,1,0,1,0,0|0,0,0]=2 5118 B9R1.6 O=C(O)C1COCOC1 MCULE-4867087023 [0,1,0,1,0,0|1,0,0]=3 5119 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [0,1,0,1,0,0|1,0,0]=3 5120 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [0,1,0,1,0,0|1,0,0]=3 5121 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [0,1,0,1,0,0|0,1,0]=3 5122 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [0,1,0,1,0,0|0,1,0]=3 5123 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [0,1,0,1,0,0|0,0,0]=2 5124 B9R1.6 O=C(O)C1SCCCS1 MCULE-6447130734 [0,1,0,1,0,0|0,1,0]=3 5125 B9R1.6 O=C(O)C1SCSCS1 MCULE-6847986458 [0,1,0,1,0,0|1,1,0]=4 5126 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,1,0,1,0,0|1,0,0]=3 5127 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,1,0,1,0,0|1,0,0]=3 5128 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [0,1,0,1,0,0|2,0,0]=4 5129 B9R1.6 O=C(O)N1CCOCC1 MCULE-7938310937 [0,1,0,1,0,0|2,0,0]=4 5130 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [0,1,0,1,0,0|2,0,0]=4 5131 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [0,1,0,1,0,0|1,0,1]=4 5132 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [0,1,0,1,0,0|1,0,1]=4 5133 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,1,0,1,0,0|1,0,0]=3 5134 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,1,0,1,0,0|1,0,0]=3 5135 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,1,0,1,0,0|1,0,0]=3 5136 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,1,0,1,0,0|1,0,0]=3 5137 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,1,0,1,0,0|0,0,0]=2 5138 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,1,0,1,0,0|0,0,0]=2 5139 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [0,1,0,1,0,0|1,0,0]=3 5140 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [0,1,0,1,0,0|1,0,0]=3 5141 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [0,1,0,1,0,0|1,0,0]=3 5142 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [0,1,0,1,0,0|1,0,0]=3 5143 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [0,1,0,1,0,0|1,0,0]=3 5144 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [0,1,0,1,0,0|1,0,0]=3 5145 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [0,1,0,1,0,0|1,0,0]=3 5146 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [0,1,0,1,0,0|0,0,0]=2 5147 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [0,1,0,1,0,0|0,0,0]=2 5148 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [0,1,0,1,0,0|1,0,0]=3 5149 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [0,1,0,1,0,0|1,0,0]=3 5150 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [0,1,0,1,0,0|1,0,0]=3 5151 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [0,1,0,1,0,0|1,0,0]=3 5152 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [0,1,0,1,0,0|0,0,0]=2 5153 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [0,1,0,1,0,0|0,0,0]=2 5154 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [0,1,0,1,0,0|0,0,0]=2 5155 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [0,1,0,1,0,0|0,0,0]=2 5156 B9R1.6 O=C(O)[C@@H]1CNCCS1 MCULE-6650545170 [0,1,0,1,0,0|0,1,0]=3 5157 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [0,1,0,1,0,0|1,0,0]=3 5158 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [0,1,0,1,0,0|1,0,0]=3 5159 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [0,1,0,1,0,0|1,0,0]=3 5160 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [0,1,0,1,0,0|1,0,0]=3 5161 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [0,1,0,1,0,0|0,0,0]=2 5162 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [0,1,0,1,0,0|0,0,0]=2 5163 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [0,1,0,1,0,0|1,0,0]=3 5164 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [0,1,0,1,0,0|1,0,0]=3 5165 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [0,1,0,1,0,0|1,0,0]=3 5166 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [0,1,0,1,0,0|1,0,1]=4 5167 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [0,1,0,1,0,0|1,0,1]=4 5168 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,1,0,1,0,0|1,0,0]=3 5169 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,1,0,1,0,0|1,0,0]=3 5170 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,1,0,1,0,0|1,0,0]=3 5171 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,1,0,1,0,0|1,0,0]=3 5172 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,1,0,1,0,0|0,0,0]=2 5173 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,1,0,1,0,0|0,0,0]=2 5174 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [0,1,0,1,0,0|1,0,0]=3 5175 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [0,1,0,1,0,0|1,0,0]=3 5176 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [0,1,0,1,0,0|1,0,0]=3 5177 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [0,1,0,1,0,0|1,0,0]=3 5178 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [0,1,0,1,0,0|1,0,0]=3 5179 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [0,1,0,1,0,0|1,0,0]=3 5180 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [0,1,0,1,0,0|0,0,0]=2 5181 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [0,1,0,1,0,0|0,0,0]=2 5182 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,1,0,1,0,0|0,1,0]=3 5183 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [0,1,0,1,0,0|1,0,0]=3 5184 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [0,1,0,1,0,0|1,0,0]=3 5185 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [0,1,0,1,0,0|1,0,0]=3 5186 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [0,1,0,1,0,0|1,0,0]=3 5187 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [0,1,0,1,0,0|1,0,0]=3 5188 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [0,1,0,1,0,0|0,0,0]=2 5189 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [0,1,0,1,0,0|0,0,0]=2 5190 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [0,1,0,1,0,0|0,0,0]=2 5191 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [0,1,0,1,0,0|0,0,0]=2 5192 B9R1.6 O=C(O)[C@H]1CNCCS1 MCULE-7818958113 [0,1,0,1,0,0|0,1,0]=3 5193 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [0,1,0,1,0,0|1,0,0]=3 5194 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [0,1,0,1,0,0|1,0,0]=3 5195 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [0,1,0,1,0,0|1,0,0]=3 5196 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [0,1,0,1,0,0|1,0,0]=3 5197 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [0,1,0,1,0,0|0,0,0]=2 5198 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [0,1,0,1,0,0|0,0,0]=2 5199 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [0,1,0,1,0,0|1,0,0]=3 5200 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [0,1,0,1,0,0|1,0,0]=3 5201 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [0,1,0,1,0,0|1,0,0]=3 5202 B9R1.6 O=C([O-])C1CCC=CO1 MCULE-8478897142 [0,1,0,1,0,0|0,0,2]=4 5203 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [0,1,0,1,0,0|1,0,1]=4 5204 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [0,1,0,1,0,0|1,0,1]=4 5205 B9R1.6 O=S(O)C1CCCCC1 MCULE-2447383910 [0,1,0,1,0,0|2,0,0]=4 5206 B9R1.6 OB(O)C1CCCOC1 MCULE-5502913518 [0,1,0,1,0,0|1,0,1]=4 5207 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [0,1,0,1,0,0|1,0,0]=3 5208 B9R1.9 C=CCCC1CC(=O)N1 MCULE-8287193989 [0,1,0,1,0,0|2,0,0]=4 5209 B9R1.24 O=S1(=O)CCCC1CO MCULE-2122998276 [0,1,0,1,0,0|1,0,1]=4 5210 B9R1.40 CC1(CCOCC1O)O MCULE-9069325911 [0,1,0,1,0,0|1,0,1]=4 5211 B9R1.40 C[C@@]1(CCOC[C@H]1O)O MCULE-3803598208 [0,1,0,1,0,0|1,0,1]=4 5212 B9R1.83 OCCCOCC1CO1 MCULE-9629508633 [0,1,0,1,0,0|1,0,1]=4 5213 B9R1.84 O=C(O)/C=C/C1CCC1 MCULE-9431961317 [0,1,0,1,0,0|1,0,1]=4 5214 B9R1.84 O=C(O)C#CC1CCC1 MCULE-8110230761 [0,1,0,1,0,0|1,0,1]=4 5215 B9R1.84 O=C(O)C=CC1CCC1 MCULE-9173078337 [0,1,0,1,0,0|1,0,1]=4 5216 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [0,1,0,1,0,0|1,0,0]=3 5217 B9R1.84 O=C(O)CCN1CCC1 MCULE-6537917818 [0,1,0,1,0,0|1,0,0]=3 5218 B9R1.84 O=C(O)CNC1CCC1 MCULE-3999560243 [0,1,0,1,0,0|1,0,0]=3 5219 B9R1.84 O=C(O)CNC1COC1 MCULE-3211874256 [0,1,0,1,0,0|1,0,0]=3 5220 B9R1.84 O=C(O)CNC1COC1 MCULE-8317257994 [0,1,0,1,0,0|1,0,0]=3 5221 B9R1.84 O=C(O)COC1CCC1 MCULE-3354883487 [0,1,0,1,0,0|1,0,0]=3 5222 B9R1.84 O=C(O)COC1CNC1 MCULE-6412418210 [0,1,0,1,0,0|2,0,0]=4 5223 B9R1.84 O=C([O-])CCN1CCC1 MCULE-8406428888 [0,1,0,1,0,0|1,0,1]=4 5224 B9R1.85 O=C(O)CCCC1CC1 MCULE-4019156455 [0,1,0,1,0,0|1,0,0]=3 5225 B9R1.85 O=C(O)CCNC1CC1 MCULE-2302148090 [0,1,0,1,0,0|1,0,0]=3 5226 B9R1.85 O=C(O)CCNC1CC1 MCULE-5027011962 [0,1,0,1,0,0|1,0,0]=3 5227 B9R1.85 O=C(O)CCOC1CC1 MCULE-6940104376 [0,1,0,1,0,0|1,0,0]=3 5228 B9R1.85 O=C(O)CCSC1CC1 MCULE-5319803876 [0,1,0,1,0,0|1,0,0]=3 5229 B9R1.85 O=C(O)CNCC1CC1 MCULE-2914571109 [0,1,0,1,0,0|1,0,0]=3 5230 B9R1.85 O=C(O)CNCC1CC1 MCULE-8479764724 [0,1,0,1,0,0|1,0,0]=3 5231 B9R1.85 O=C(O)COCC1CC1 MCULE-1838251623 [0,1,0,1,0,0|1,0,0]=3 5232 B9R1.85 O=C(O)CSCC1CC1 MCULE-7765855577 [0,1,0,1,0,0|1,0,0]=3 5233 B9R1.96 C1(NCC1CC)C(=O)O MCULE-9517338987 [0,1,0,1,0,0|1,0,0]=3 5234 B9R1.96 CC(=O)N1CCC1CO MCULE-2554026906 [0,1,0,1,0,0|1,0,0]=3 5235 B9R1.96 CCC1CNC1C(=O)O MCULE-5561702986 [0,1,0,1,0,0|1,0,0]=3 5236 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-1585063492 [0,1,0,1,0,0|1,0,0]=3 5237 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-7143773936 [0,1,0,1,0,0|1,0,0]=3 5238 B9R1.96 CCN1CCC1C(=O)O MCULE-9616158921 [0,1,0,1,0,0|1,0,0]=3 5239 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-1971461514 [0,1,0,1,0,0|1,0,0]=3 5240 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-4762142431 [0,1,0,1,0,0|1,0,0]=3 5241 B9R1.96 N#CC1CCC1C(=O)O MCULE-1939970378 [0,1,0,1,0,0|1,0,0]=3 5242 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [0,1,0,1,0,0|0,0,0]=2 5243 B9R1.96 O=C([O-])C1CCC1CO MCULE-8666321081 [0,1,0,1,0,0|0,0,1]=3 5244 B9R1.96 O=NN1CCC1C(=O)O MCULE-4855920103 [0,1,0,1,0,0|1,0,1]=4 5245 B9R1.23 CN1CC(CC1=O)CO MCULE-9935755485 [0,1,0,1,0,0|2,0,0]=4 5246 B9R1.23 CN1CC(OC1=O)CBr MCULE-4776102856 [0,1,0,1,0,0|2,0,0]=4 5247 B9R1.23 CN1CC(OC1=O)CO MCULE-5538633197 [0,1,0,1,0,0|1,0,0]=3 5248 B9R1.23 CN1C[C@@H](OC1=O)CBr MCULE-3550491195 [0,1,0,1,0,0|2,0,0]=4 5249 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4135827262 [0,1,0,1,0,0|1,0,0]=3 5250 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4222195719 [0,1,0,1,0,0|1,0,0]=3 5251 B9R1.23 CN1C[C@H](CC1=O)CO MCULE-7091140885 [0,1,0,1,0,0|2,0,0]=4 5252 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-1843344905 [0,1,0,1,0,0|2,0,0]=4 5253 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-7113883697 [0,1,0,1,0,0|2,0,0]=4 5254 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-5673899033 [0,1,0,1,0,0|1,0,0]=3 5255 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-7788246551 [0,1,0,1,0,0|1,0,0]=3 5256 B9R1.23 OCC1CC(C(O1)O)O MCULE-1894937679 [0,1,0,1,0,0|0,0,2]=4 5257 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,1,0,1,0,0|0,0,2]=4 5258 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,1,0,1,0,0|0,0,1]=3 5259 B9R1.35 C1(CCN(C1)C(=O)C)O MCULE-2995435877 [0,1,0,1,0,0|2,0,0]=4 5260 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,1,0,1,0,0|2,0,0]=4 5261 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,1,0,1,0,0|2,0,0]=4 5262 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,1,0,1,0,0|1,0,1]=4 5263 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,1,0,1,0,0|0,0,2]=4 5264 B9R1.35 CC(=O)N1CCC(C1)O MCULE-4508537142 [0,1,0,1,0,0|2,0,0]=4 5265 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-4145127323 [0,1,0,1,0,0|2,0,0]=4 5266 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-8205833952 [0,1,0,1,0,0|2,0,0]=4 5267 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1031340554 [0,1,0,1,0,0|2,0,0]=4 5268 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1348897751 [0,1,0,1,0,0|2,0,0]=4 5269 B9R1.35 CC(C)C1CCC(=O)C1 MCULE-7380487072 [0,1,0,1,0,0|2,0,0]=4 5270 B9R1.35 CC(C)C1CCC(=O)N1 MCULE-4396910868 [0,1,0,1,0,0|2,0,0]=4 5271 B9R1.35 CC(C)C1CNC(=O)O1 MCULE-1501293157 [0,1,0,1,0,0|2,0,0]=4 5272 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-8463254156 [0,1,0,1,0,0|2,0,0]=4 5273 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-9798698843 [0,1,0,1,0,0|2,0,0]=4 5274 B9R1.35 CC(C)[C@H]1CCC(=O)N1 MCULE-1275403270 [0,1,0,1,0,0|2,0,0]=4 5275 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,1,0,1,0,0|1,0,1]=4 5276 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,1,0,1,0,0|1,0,1]=4 5277 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [0,1,0,1,0,0|1,0,1]=4 5278 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [0,1,0,1,0,0|1,0,1]=4 5279 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,1,0,1,0,0|2,0,0]=4 5280 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,1,0,1,0,0|1,0,0]=3 5281 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,1,0,1,0,0|1,0,0]=3 5282 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,1,0,1,0,0|1,0,0]=3 5283 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,1,0,1,0,0|0,0,0]=2 5284 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,1,0,1,0,0|1,0,0]=3 5285 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,1,0,1,0,0|1,0,0]=3 5286 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,1,0,1,0,0|0,0,0]=2 5287 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [0,1,0,1,0,0|2,0,0]=4 5288 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [0,1,0,1,0,0|2,0,0]=4 5289 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,1,0,1,0,0|2,0,0]=4 5290 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,1,0,1,0,0|2,0,0]=4 5291 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,1,0,1,0,0|2,0,0]=4 5292 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,1,0,1,0,0|2,0,0]=4 5293 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,1,0,1,0,0|2,0,0]=4 5294 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,1,0,1,0,0|2,0,0]=4 5295 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,1,0,1,0,0|2,0,0]=4 5296 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,1,0,1,0,0|2,0,0]=4 5297 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,1,0,1,0,0|1,0,0]=3 5298 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,1,0,1,0,0|1,0,0]=3 5299 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,1,0,1,0,0|0,0,0]=2 5300 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,1,0,1,0,0|0,0,0]=2 5301 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,1,0,1,0,0|1,0,0]=3 5302 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,1,0,1,0,0|1,0,0]=3 5303 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,1,0,1,0,0|1,0,0]=3 5304 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,1,0,1,0,0|1,0,0]=3 5305 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,1,0,1,0,0|1,0,0]=3 5306 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,1,0,1,0,0|1,0,0]=3 5307 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,1,0,1,0,0|1,0,0]=3 5308 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,1,0,1,0,0|1,0,0]=3 5309 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,1,0,1,0,0|1,0,0]=3 5310 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,1,0,1,0,0|1,0,0]=3 5311 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,1,0,1,0,0|1,0,0]=3 5312 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,1,0,1,0,0|1,0,0]=3 5313 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,1,0,1,0,0|1,0,0]=3 5314 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,1,0,1,0,0|1,0,0]=3 5315 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,1,0,1,0,0|1,0,0]=3 5316 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,1,0,1,0,0|1,0,0]=3 5317 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,1,0,1,0,0|1,0,0]=3 5318 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,1,0,1,0,0|1,0,0]=3 5319 B9R1.35 NC(=O)C1CC(CN1)F MCULE-8271084148 [0,1,0,1,0,0|2,0,0]=4 5320 B9R1.35 NC(=O)C1CC(CN1)F MCULE-9864087367 [0,1,0,1,0,0|2,0,0]=4 5321 B9R1.35 NC(=O)C1CC(CN1)O MCULE-8628888959 [0,1,0,1,0,0|2,0,0]=4 5322 B9R1.35 NC(=O)C1CC(CN1)O MCULE-9327040437 [0,1,0,1,0,0|2,0,0]=4 5323 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [0,1,0,1,0,0|2,0,0]=4 5324 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [0,1,0,1,0,0|2,0,0]=4 5325 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-1115995515 [0,1,0,1,0,0|2,0,0]=4 5326 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-3958905536 [0,1,0,1,0,0|2,0,0]=4 5327 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-5421731805 [0,1,0,1,0,0|2,0,0]=4 5328 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-9864372515 [0,1,0,1,0,0|2,0,0]=4 5329 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-1506534259 [0,1,0,1,0,0|2,0,0]=4 5330 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-4335155413 [0,1,0,1,0,0|2,0,0]=4 5331 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2111867079 [0,1,0,1,0,0|2,0,0]=4 5332 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2486268743 [0,1,0,1,0,0|2,0,0]=4 5333 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-8625619596 [0,1,0,1,0,0|2,0,0]=4 5334 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-1442980635 [0,1,0,1,0,0|2,0,0]=4 5335 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-4854132547 [0,1,0,1,0,0|2,0,0]=4 5336 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-8175631848 [0,1,0,1,0,0|2,0,0]=4 5337 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-9092665787 [0,1,0,1,0,0|2,0,0]=4 5338 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-1212665796 [0,1,0,1,0,0|2,0,0]=4 5339 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2172080185 [0,1,0,1,0,0|2,0,0]=4 5340 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2463066874 [0,1,0,1,0,0|2,0,0]=4 5341 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-7245012102 [0,1,0,1,0,0|2,0,0]=4 5342 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-7513224290 [0,1,0,1,0,0|1,0,1]=4 5343 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-8369262706 [0,1,0,1,0,0|1,0,1]=4 5344 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-7944190057 [0,1,0,1,0,0|1,0,1]=4 5345 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-9202589777 [0,1,0,1,0,0|1,0,1]=4 5346 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,1,0,1,0,0|1,0,0]=3 5347 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,1,0,1,0,0|1,0,0]=3 5348 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,1,0,1,0,0|1,0,0]=3 5349 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,1,0,1,0,0|1,0,0]=3 5350 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-2058033578 [0,1,0,1,0,0|1,0,1]=4 5351 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-3535904120 [0,1,0,1,0,0|1,0,1]=4 5352 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-7864688668 [0,1,0,1,0,0|1,0,1]=4 5353 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-9488093105 [0,1,0,1,0,0|1,0,1]=4 5354 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,1,0,1,0,0|1,0,0]=3 5355 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,1,0,1,0,0|1,0,0]=3 5356 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,1,0,1,0,0|1,0,0]=3 5357 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,1,0,1,0,0|1,0,0]=3 5358 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,1,0,1,0,0|1,0,0]=3 5359 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,1,0,1,0,0|1,0,0]=3 5360 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,1,0,1,0,0|1,0,0]=3 5361 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,1,0,1,0,0|1,0,0]=3 5362 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,1,0,1,0,0|1,0,0]=3 5363 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,1,0,1,0,0|1,0,0]=3 5364 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,1,0,1,0,0|1,0,0]=3 5365 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,1,0,1,0,0|1,0,0]=3 5366 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,1,0,1,0,0|1,0,0]=3 5367 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,1,0,1,0,0|1,0,0]=3 5368 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,1,0,1,0,0|1,0,0]=3 5369 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,1,0,1,0,0|1,0,0]=3 5370 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-1866924065 [0,1,0,1,0,0|1,0,1]=4 5371 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-5420586850 [0,1,0,1,0,0|1,0,1]=4 5372 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-6933168017 [0,1,0,1,0,0|1,0,1]=4 5373 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-1923367161 [0,1,0,1,0,0|1,0,1]=4 5374 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2558762790 [0,1,0,1,0,0|1,0,1]=4 5375 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2767032719 [0,1,0,1,0,0|1,0,1]=4 5376 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-3230012761 [0,1,0,1,0,0|1,0,1]=4 5377 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-5898455500 [0,1,0,1,0,0|1,0,1]=4 5378 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-8841082803 [0,1,0,1,0,0|1,0,1]=4 5379 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,1,0,1,0,0|1,0,0]=3 5380 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,1,0,1,0,0|1,0,0]=3 5381 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,1,0,1,0,0|1,0,0]=3 5382 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,1,0,1,0,0|1,0,0]=3 5383 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,1,0,1,0,0|1,0,0]=3 5384 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,1,0,1,0,0|1,0,0]=3 5385 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,1,0,1,0,0|1,0,0]=3 5386 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,1,0,1,0,0|1,0,0]=3 5387 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,1,0,1,0,0|1,0,0]=3 5388 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,1,0,1,0,0|1,0,0]=3 5389 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,1,0,1,0,0|1,0,0]=3 5390 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,1,0,1,0,0|1,0,0]=3 5391 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,1,0,1,0,0|1,0,0]=3 5392 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,1,0,1,0,0|1,0,0]=3 5393 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,1,0,1,0,0|1,0,0]=3 5394 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,1,0,1,0,0|1,0,0]=3 5395 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,1,0,1,0,0|1,0,0]=3 5396 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,1,0,1,0,0|1,0,0]=3 5397 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,1,0,1,0,0|1,0,0]=3 5398 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,1,0,1,0,0|0,0,1]=3 5399 B9R1.35 O=C(O)C1CC(=NO1)Br MCULE-8217813426 [0,1,0,1,0,0|1,0,1]=4 5400 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,1,0,1,0,0|1,0,0]=3 5401 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,1,0,1,0,0|1,0,0]=3 5402 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,1,0,1,0,0|1,0,0]=3 5403 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,1,0,1,0,0|1,0,0]=3 5404 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,1,0,1,0,0|1,0,0]=3 5405 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,1,0,1,0,0|1,0,0]=3 5406 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,1,0,1,0,0|1,0,0]=3 5407 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,1,0,1,0,0|1,0,0]=3 5408 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,1,0,1,0,0|1,0,0]=3 5409 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,1,0,1,0,0|0,0,0]=2 5410 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,1,0,1,0,0|1,0,0]=3 5411 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,1,0,1,0,0|1,0,0]=3 5412 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,1,0,1,0,0|1,0,0]=3 5413 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,1,0,1,0,0|1,0,0]=3 5414 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,1,0,1,0,0|0,0,0]=2 5415 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,1,0,1,0,0|0,0,0]=2 5416 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,1,0,1,0,0|0,0,0]=2 5417 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,1,0,1,0,0|1,0,0]=3 5418 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,1,0,1,0,0|1,0,0]=3 5419 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,1,0,1,0,0|1,0,0]=3 5420 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,1,0,1,0,0|1,0,0]=3 5421 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,1,0,1,0,0|1,0,0]=3 5422 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,1,0,1,0,0|1,0,0]=3 5423 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,1,0,1,0,0|1,0,0]=3 5424 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,1,0,1,0,0|1,0,0]=3 5425 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,1,0,1,0,0|1,0,0]=3 5426 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,1,0,1,0,0|1,0,0]=3 5427 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,1,0,1,0,0|1,0,0]=3 5428 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,1,0,1,0,0|1,0,0]=3 5429 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,1,0,1,0,0|1,0,0]=3 5430 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,1,0,1,0,0|1,0,0]=3 5431 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,1,0,1,0,0|1,0,0]=3 5432 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,1,0,1,0,0|1,0,0]=3 5433 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,1,0,1,0,0|1,0,0]=3 5434 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,1,0,1,0,0|1,0,0]=3 5435 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,1,0,1,0,0|1,0,0]=3 5436 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,1,0,1,0,0|1,0,0]=3 5437 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,1,0,1,0,0|1,0,0]=3 5438 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,1,0,1,0,0|1,0,0]=3 5439 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,1,0,1,0,0|1,0,0]=3 5440 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,1,0,1,0,0|1,0,0]=3 5441 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,1,0,1,0,0|1,0,0]=3 5442 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,1,0,1,0,0|1,0,0]=3 5443 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,1,0,1,0,0|1,0,0]=3 5444 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,1,0,1,0,0|1,0,0]=3 5445 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,1,0,1,0,0|1,0,0]=3 5446 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,1,0,1,0,0|0,0,0]=2 5447 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,1,0,1,0,0|0,0,0]=2 5448 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,1,0,1,0,0|0,0,0]=2 5449 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,1,0,1,0,0|1,0,0]=3 5450 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,1,0,1,0,0|1,0,0]=3 5451 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,1,0,1,0,0|1,0,0]=3 5452 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,1,0,1,0,0|1,0,0]=3 5453 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,1,0,1,0,0|1,0,0]=3 5454 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,1,0,1,0,0|1,0,0]=3 5455 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,1,0,1,0,0|1,0,0]=3 5456 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,1,0,1,0,0|1,0,0]=3 5457 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,1,0,1,0,0|1,0,0]=3 5458 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,1,0,1,0,0|1,0,0]=3 5459 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,1,0,1,0,0|1,0,0]=3 5460 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,1,0,1,0,0|1,0,0]=3 5461 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,1,0,1,0,0|1,0,0]=3 5462 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,1,0,1,0,0|1,0,0]=3 5463 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,1,0,1,0,0|1,0,0]=3 5464 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,1,0,1,0,0|1,0,0]=3 5465 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,1,0,1,0,0|0,0,2]=4 5466 B9R1.35 O=C1CCC(C1)C(F)F MCULE-9141008537 [0,1,0,1,0,0|2,0,0]=4 5467 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,1,0,1,0,0|0,0,2]=4 5468 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,1,0,1,0,0|0,0,2]=4 5469 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,1,0,1,0,0|0,0,1]=3 5470 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,1,0,1,0,0|0,0,2]=4 5471 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,1,0,1,0,0|0,0,2]=4 5472 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,1,0,1,0,0|0,0,2]=4 5473 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,1,0,1,0,0|0,0,2]=4 5474 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,1,0,1,0,0|0,0,2]=4 5475 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,1,0,1,0,0|0,0,2]=4 5476 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,1,0,1,0,0|0,0,1]=3 5477 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,1,0,1,0,0|0,0,1]=3 5478 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,1,0,1,0,0|0,0,2]=4 5479 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,1,0,1,0,0|0,0,2]=4 5480 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,1,0,1,0,0|0,0,2]=4 5481 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,1,0,1,0,0|0,0,2]=4 5482 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,1,0,1,0,0|0,0,2]=4 5483 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,1,0,1,0,0|0,0,2]=4 5484 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,1,0,1,0,0|0,0,1]=3 5485 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,1,0,1,0,0|0,0,1]=3 5486 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,1,0,1,0,0|0,0,2]=4 5487 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,1,0,1,0,0|1,0,1]=4 5488 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,1,0,1,0,0|1,0,1]=4 5489 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,1,0,1,0,0|1,0,1]=4 5490 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,1,0,1,0,0|1,0,1]=4 5491 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,1,0,1,0,0|1,0,1]=4 5492 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,1,0,1,0,0|1,0,1]=4 5493 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,1,0,1,0,0|1,0,1]=4 5494 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,1,0,1,0,0|1,0,1]=4 5495 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,1,0,1,0,0|0,0,1]=3 5496 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,1,0,1,0,0|0,1,1]=4 5497 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,1,0,1,0,0|1,0,1]=4 5498 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,1,0,1,0,0|1,0,1]=4 5499 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,1,0,1,0,0|1,0,1]=4 5500 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,1,0,1,0,0|1,0,1]=4 5501 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,1,0,1,0,0|1,0,0]=3 5502 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,1,0,1,0,0|1,0,0]=3 5503 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,1,0,1,0,0|1,0,0]=3 5504 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2355223336 [0,1,0,1,0,0|2,0,0]=4 5505 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2483830451 [0,1,0,1,0,0|2,0,0]=4 5506 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,1,0,1,0,0|1,0,0]=3 5507 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,1,0,1,0,0|1,0,0]=3 5508 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,1,0,1,0,0|1,0,0]=3 5509 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,1,0,1,0,0|1,0,0]=3 5510 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,1,0,1,0,0|1,0,0]=3 5511 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,1,0,1,0,0|1,0,0]=3 5512 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,1,0,1,0,0|1,0,1]=4 5513 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [0,1,0,1,0,0|2,0,0]=4 5514 B9R1.69 CC1CCC(=O)C=C1O MCULE-7850328397 [0,1,0,1,0,0|1,0,1]=4 5515 B9R1.69 CC1CCC(=O)CC1C MCULE-5304188182 [0,1,0,1,0,0|2,0,0]=4 5516 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [0,1,0,1,0,0|2,0,0]=4 5517 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,1,0,1,0,0|2,0,0]=4 5518 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [0,1,0,1,0,0|2,0,0]=4 5519 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,1,0,1,0,0|2,0,0]=4 5520 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [0,1,0,1,0,0|2,0,0]=4 5521 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [0,1,0,1,0,0|2,0,0]=4 5522 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,1,0,1,0,0|0,0,2]=4 5523 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [0,1,0,1,0,0|1,0,1]=4 5524 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,1,0,1,0,0|1,0,0]=3 5525 B9R1.95 CC(=O)N1CC(C1)CO MCULE-9848922086 [0,1,0,1,0,0|2,0,0]=4 5526 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,1,0,1,0,0|1,0,0]=3 5527 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,1,0,1,0,0|1,0,0]=3 5528 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [0,1,0,1,0,0|2,0,0]=4 5529 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [0,1,0,1,0,0|2,0,0]=4 5530 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [0,1,0,1,0,0|2,0,0]=4 5531 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,1,0,1,0,0|2,0,0]=4 5532 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,1,0,1,0,0|2,0,0]=4 5533 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,1,0,1,0,0|2,0,0]=4 5534 B9R1.95 N#CC1CC(C1)C(=O)O MCULE-9043105457 [0,1,0,1,0,0|1,0,1]=4 5535 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,1,0,1,0,0|1,0,0]=3 5536 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,1,0,1,0,0|1,0,0]=3 5537 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,1,0,1,0,0|1,0,0]=3 5538 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,1,0,1,0,0|1,0,0]=3 5539 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,1,0,1,0,0|1,0,0]=3 5540 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,1,0,1,0,0|1,0,0]=3 5541 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,1,0,1,0,0|0,0,0]=2 5542 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,1,0,1,0,0|0,0,0]=2 5543 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,1,0,1,0,0|0,0,0]=2 5544 B9R1.95 O=C([O-])[C@H]1C[C@@H](C1)CO MCULE-8717273234 [0,1,0,1,0,0|0,0,1]=3 5545 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,1,0,1,0,0|1,0,0]=3 5546 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [0,1,0,1,0,0|2,0,0]=4 5547 B9R1.110 C=C(C(=O)O)C1CCC1 MCULE-2578265979 [0,1,0,1,0,0|1,0,1]=4 5548 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,1,0,1,0,0|1,0,0]=3 5549 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,1,0,1,0,0|1,0,0]=3 5550 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [0,1,0,1,0,0|0,0,0]=2 5551 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-3425038216 [0,1,0,1,0,0|2,0,0]=4 5552 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-8368638713 [0,1,0,1,0,0|2,0,0]=4 5553 B9R1.110 CC(C(=O)O)C1COC1 MCULE-1438881074 [0,1,0,1,0,0|2,0,0]=4 5554 B9R1.110 CC(C(=O)O)N1CCC1 MCULE-9923940575 [0,1,0,1,0,0|2,0,0]=4 5555 B9R1.110 NC(=O)C(N)C1CCC1 MCULE-3518352563 [0,1,0,1,0,0|2,0,0]=4 5556 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,1,0,1,0,0|1,0,0]=3 5557 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,1,0,1,0,0|1,0,0]=3 5558 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [0,1,0,1,0,0|2,0,0]=4 5559 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,1,0,1,0,0|1,0,0]=3 5560 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,1,0,1,0,0|1,0,0]=3 5561 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,1,0,1,0,0|1,0,0]=3 5562 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,1,0,1,0,0|1,0,0]=3 5563 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [0,1,0,1,0,0|2,0,0]=4 5564 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [0,1,0,1,0,0|2,0,0]=4 5565 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,1,0,1,0,0|1,0,0]=3 5566 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,1,0,1,0,0|1,0,0]=3 5567 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,1,0,1,0,0|1,0,0]=3 5568 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [0,1,0,1,0,0|2,0,0]=4 5569 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [0,1,0,1,0,0|2,0,0]=4 5570 B9R1.110 O=C(O)C(=O)C1CCC1 MCULE-3680158952 [0,1,0,1,0,0|1,0,1]=4 5571 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,1,0,1,0,0|1,0,0]=3 5572 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,1,0,1,0,0|1,0,0]=3 5573 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,1,0,1,0,0|1,0,0]=3 5574 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,1,0,1,0,0|1,0,0]=3 5575 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,1,0,1,0,0|1,0,0]=3 5576 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [0,1,0,1,0,0|1,0,0]=3 5577 B9R1.112 CC(SC1CC1)C(=O)O MCULE-6918133296 [0,1,0,1,0,0|2,0,0]=4 5578 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [0,1,0,1,0,0|2,0,0]=4 5579 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [0,1,0,1,0,0|2,0,0]=4 5580 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-3167502244 [0,1,0,1,0,0|2,0,0]=4 5581 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-8140131300 [0,1,0,1,0,0|2,0,0]=4 5582 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-4142673004 [0,1,0,1,0,0|2,0,0]=4 5583 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-6535973441 [0,1,0,1,0,0|2,0,0]=4 5584 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,1,0,1,0,0|1,0,0]=3 5585 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,1,0,1,0,0|1,0,0]=3 5586 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,1,0,1,0,0|1,0,0]=3 5587 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,1,0,1,0,0|1,0,0]=3 5588 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,1,0,1,0,0|1,0,0]=3 5589 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,1,0,1,0,0|1,0,0]=3 5590 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,1,0,1,0,0|1,0,0]=3 5591 B9R1.112 O=C(O)C(=O)CC1CC1 MCULE-2914009662 [0,1,0,1,0,0|1,0,1]=4 5592 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [0,1,0,1,0,0|1,0,0]=3 5593 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [0,1,0,1,0,0|1,0,0]=3 5594 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [0,1,0,1,0,0|1,0,0]=3 5595 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [0,1,0,1,0,0|1,0,0]=3 5596 B9R1.163 CC(=O)C1(CCCC1)C MCULE-7946764519 [0,1,0,1,0,0|2,0,0]=4 5597 B9R1.163 CC(=O)C1(CCCC1)N MCULE-1766488888 [0,1,0,1,0,0|2,0,0]=4 5598 B9R1.163 CC(=O)C1(CCCC1)N MCULE-2390313394 [0,1,0,1,0,0|2,0,0]=4 5599 B9R1.163 CC(=O)C1(CCCC1)O MCULE-4607553416 [0,1,0,1,0,0|2,0,0]=4 5600 B9R1.163 CC(=O)C1(CCCO1)C MCULE-3832225855 [0,1,0,1,0,0|1,0,0]=3 5601 B9R1.163 CC(O)C1(CCCO1)C MCULE-8176746692 [0,1,0,1,0,0|1,0,1]=4 5602 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [0,1,0,1,0,0|1,0,1]=4 5603 B9R1.163 CC1(CCCC1)C(=O)Cl MCULE-6905026517 [0,1,0,1,0,0|2,0,0]=4 5604 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,1,0,1,0,0|1,0,0]=3 5605 B9R1.163 CC1(CCCN1)C(=O)N MCULE-1073156492 [0,1,0,1,0,0|2,0,0]=4 5606 B9R1.163 CC1(CCCN1)C(=O)N MCULE-4207908355 [0,1,0,1,0,0|2,0,0]=4 5607 B9R1.163 CC1(CCCN1)C(=O)N MCULE-5102556329 [0,1,0,1,0,0|2,0,0]=4 5608 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [0,1,0,1,0,0|1,0,0]=3 5609 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [0,1,0,1,0,0|1,0,0]=3 5610 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [0,1,0,1,0,0|1,0,0]=3 5611 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [0,1,0,1,0,0|1,0,0]=3 5612 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [0,1,0,1,0,0|1,0,0]=3 5613 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [0,1,0,1,0,0|0,0,0]=2 5614 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [0,1,0,1,0,0|0,1,0]=3 5615 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [0,1,0,1,0,0|2,0,0]=4 5616 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [0,1,0,1,0,0|2,0,0]=4 5617 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [0,1,0,1,0,0|2,0,0]=4 5618 B9R1.163 CC1(NCCS1)C(=O)O MCULE-3303237869 [0,1,0,1,0,0|1,1,0]=4 5619 B9R1.163 CC1(OCCO1)C(=O)O MCULE-6576803543 [0,1,0,1,0,0|1,0,0]=3 5620 B9R1.163 C[C@@H](O)C1(CCCO1)C MCULE-7551769191 [0,1,0,1,0,0|1,0,1]=4 5621 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [0,1,0,1,0,0|1,0,0]=3 5622 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [0,1,0,1,0,0|1,0,0]=3 5623 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [0,1,0,1,0,0|1,0,0]=3 5624 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [0,1,0,1,0,0|1,0,0]=3 5625 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [0,1,0,1,0,0|0,0,0]=2 5626 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [0,1,0,1,0,0|2,0,0]=4 5627 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [0,1,0,1,0,0|2,0,0]=4 5628 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [0,1,0,1,0,0|2,0,0]=4 5629 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-4783754920 [0,1,0,1,0,0|2,0,0]=4 5630 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-7441682522 [0,1,0,1,0,0|2,0,0]=4 5631 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-8011663424 [0,1,0,1,0,0|2,0,0]=4 5632 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [0,1,0,1,0,0|1,0,0]=3 5633 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [0,1,0,1,0,0|1,0,0]=3 5634 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [0,1,0,1,0,0|1,0,0]=3 5635 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [0,1,0,1,0,0|1,0,0]=3 5636 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [0,1,0,1,0,0|0,0,0]=2 5637 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [0,1,0,1,0,0|2,0,0]=4 5638 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [0,1,0,1,0,0|2,0,0]=4 5639 B9R1.163 NC(=O)C1(CCCC1)N MCULE-1603183997 [0,1,0,1,0,0|2,0,0]=4 5640 B9R1.163 NC(=O)C1(CCCC1)N MCULE-6535833155 [0,1,0,1,0,0|2,0,0]=4 5641 B9R1.163 NC(=O)C1(CCCC1)O MCULE-7750018506 [0,1,0,1,0,0|2,0,0]=4 5642 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,1,0,1,0,0|1,0,0]=3 5643 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [0,1,0,1,0,0|2,0,0]=4 5644 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [0,1,0,1,0,0|2,0,0]=4 5645 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [0,1,0,1,0,0|2,0,0]=4 5646 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [0,1,0,1,0,0|2,0,0]=4 5647 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [0,1,0,1,0,0|2,0,0]=4 5648 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [0,1,0,1,0,0|2,0,0]=4 5649 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [0,1,0,1,0,0|2,0,0]=4 5650 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [0,1,0,1,0,0|2,0,0]=4 5651 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [0,1,0,1,0,0|2,0,0]=4 5652 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [0,1,0,1,0,0|2,0,0]=4 5653 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [0,1,0,1,0,0|2,0,0]=4 5654 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [0,1,0,1,0,0|2,0,0]=4 5655 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [0,1,0,1,0,0|2,0,0]=4 5656 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [0,1,0,1,0,0|2,0,0]=4 5657 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [0,1,0,1,0,0|2,0,0]=4 5658 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [0,1,0,1,0,0|2,0,0]=4 5659 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,1,0,1,0,0|1,0,0]=3 5660 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,1,0,1,0,0|1,0,0]=3 5661 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,1,0,1,0,0|1,0,0]=3 5662 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [0,1,0,1,0,0|2,0,0]=4 5663 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [0,1,0,1,0,0|2,0,0]=4 5664 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [0,1,0,1,0,0|2,0,0]=4 5665 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [0,1,0,1,0,0|2,0,0]=4 5666 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [0,1,0,1,0,0|2,0,0]=4 5667 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [0,1,0,1,0,0|2,0,0]=4 5668 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [0,1,0,1,0,0|2,0,0]=4 5669 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [0,1,0,1,0,0|2,0,0]=4 5670 B9R1.125 C=CC1(CCC(=O)O1)C MCULE-6337213328 [0,1,0,1,0,0|1,0,1]=4 5671 B9R1.125 CC1(CCC(=O)N1)CN MCULE-5027285094 [0,1,0,1,0,0|2,0,0]=4 5672 B9R1.125 CC1(CCC(=O)N1)CN MCULE-6327832088 [0,1,0,1,0,0|2,0,0]=4 5673 B9R1.125 CC1(CCC(=O)N1)CO MCULE-9700105207 [0,1,0,1,0,0|1,0,0]=3 5674 B9R1.125 CC1(CNC(=O)C1)CO MCULE-1633429143 [0,1,0,1,0,0|2,0,0]=4 5675 B9R1.125 CC1(COC(=O)C1)CO MCULE-2278000717 [0,1,0,1,0,0|2,0,0]=4 5676 B9R1.125 CC1(COC(=O)N1)CO MCULE-7873521103 [0,1,0,1,0,0|2,0,0]=4 5677 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [0,1,0,1,0,0|1,0,0]=3 5678 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,1,0,1,0,0|1,0,0]=3 5679 B9R1.133 CC1(CCC(O1)CO)C MCULE-1774872507 [0,1,0,1,0,0|1,0,1]=4 5680 B9R1.133 CC1(CC[C@@H](O1)CO)C MCULE-5585962757 [0,1,0,1,0,0|1,0,1]=4 5681 B9R1.133 CC1(CC[C@H](O1)CO)C MCULE-2305370714 [0,1,0,1,0,0|1,0,1]=4 5682 B9R1.133 CC1(CC[C@H](O1)CO)C MCULE-8266167352 [0,1,0,1,0,0|1,0,1]=4 5683 B9R1.133 O=S1(=O)CCC(C1)CO MCULE-8257356519 [0,1,0,1,0,0|1,0,1]=4 5684 B9R1.133 O=S1(=O)CCC(N1)CO MCULE-6691523553 [0,1,0,1,0,0|1,0,1]=4 5685 B9R1.147 CC1(CC1)CCC(=O)O MCULE-7141144115 [0,1,0,1,0,0|1,0,0]=3 5686 B9R1.147 CC1(N=N1)CCC(=O)O MCULE-3120941504 [0,1,0,1,0,0|2,0,0]=4 5687 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [0,1,0,1,0,0|1,0,0]=3 5688 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-1507527616 [0,1,0,1,0,0|2,0,0]=4 5689 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-9994872613 [0,1,0,1,0,0|2,0,0]=4 5690 B9R1.19 O=S(=O)(O)C1CCCC1 MCULE-7644931575 [0,1,0,1,0,0|2,0,0]=4 5691 B9R1.115 O=S(=O)(F)CCC1CO1 MCULE-8060266417 [0,1,0,1,0,0|1,0,1]=4 5692 B9R1.161 CC(C)C1CC1C(=O)O MCULE-4298027549 [0,1,0,1,0,0|1,0,0]=3 5693 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,1,0,1,0,0|0,0,2]=4 5694 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,1,0,1,0,0|0,0,1]=3 5695 B9R1.161 O=C(O)C1CC1C(F)F MCULE-6859776096 [0,1,0,1,0,0|1,0,0]=3 5696 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [0,1,0,1,0,0|1,0,1]=4 5697 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,1,0,1,0,0|1,0,1]=4 5698 B9R1.161 O=C(O)[C@@H]1C[C@@H]1C(F)F MCULE-4810792751 [0,1,0,1,0,0|1,0,0]=3 5699 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,1,0,1,0,0|0,0,1]=3 5700 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,1,0,1,0,0|0,0,1]=3 5701 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,1,0,1,0,0|0,0,1]=3 5702 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-1011454400 [0,1,0,1,0,0|1,0,0]=3 5703 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-8959639977 [0,1,0,1,0,0|1,0,0]=3 5704 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,1,0,1,0,0|1,0,1]=4 5705 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,1,0,1,0,0|1,0,1]=4 5706 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,1,0,1,0,0|0,0,1]=3 5707 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,1,0,1,0,0|0,0,1]=3 5708 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-4761495090 [0,1,0,1,0,0|1,0,0]=3 5709 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-9106908377 [0,1,0,1,0,0|1,0,0]=3 5710 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] MCULE-1350888359 [0,1,0,1,0,0|1,0,1]=4 5711 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,1,0,1,0,0|0,0,1]=3 5712 B9R1.161 O=C(O)[C@H]1C[C@H]1C(F)F MCULE-9137583199 [0,1,0,1,0,0|1,0,0]=3 5713 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,1,0,1,0,0|1,0,1]=4 5714 B9R1.166 C1(NCC1(C)C)C(=O)O MCULE-8091738282 [0,1,0,1,0,0|2,0,0]=4 5715 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [0,1,0,1,0,0|1,0,0]=3 5716 B9R1.166 CC1(CNC1C(=O)O)C MCULE-8386082188 [0,1,0,1,0,0|2,0,0]=4 5717 B9R1.166 CC1(CNC1C(=O)O)C MCULE-9067770862 [0,1,0,1,0,0|2,0,0]=4 5718 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-3707363843 [0,1,0,1,0,0|2,0,0]=4 5719 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-5671349948 [0,1,0,1,0,0|2,0,0]=4 5720 B9R1.166 CC1(CN[C@H]1C(=O)O)C MCULE-3480839319 [0,1,0,1,0,0|2,0,0]=4 5721 B9R1.166 O=C(O)C1CCC1(F)F MCULE-5646109920 [0,1,0,1,0,0|1,0,0]=3 5722 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [0,1,0,1,0,0|1,0,1]=4 5723 B9R1.166 O=C(O)[C@@H]1CCC1(F)F MCULE-1777760238 [0,1,0,1,0,0|1,0,0]=3 5724 B9R1.166 O=C(O)[C@H]1CCC1(F)F MCULE-9140397233 [0,1,0,1,0,0|1,0,0]=3 5725 B9R1.170 CC(=O)CC1CC1(F)F MCULE-1894478460 [0,1,0,1,0,0|2,0,0]=4 5726 B9R1.170 CC1(CC1CC(=O)O)C MCULE-4662857705 [0,1,0,1,0,0|1,0,0]=3 5727 B9R1.170 O=C(O)CC1CC1(Cl)Cl MCULE-1943383074 [0,1,0,1,0,0|1,0,0]=3 5728 B9R1.170 O=C(O)CC1CC1(F)F MCULE-4535964880 [0,1,0,1,0,0|1,0,0]=3 5729 B9R1.170 O=C(O)C[C@H]1CC1(F)F MCULE-7984243726 [0,1,0,1,0,0|1,0,0]=3 5730 B9R2.20 O=C1OCC2C1CC2 MCULE-4454485399 [0,0,0,2,0,0|1,0,0]=3 5731 B9R2.20 O=C1OC[C@@H]2[C@@H]1CC2 MCULE-8016618193 [0,0,0,2,0,0|1,0,0]=3 5732 B9R2.39 C12CNC(C1)C(=O)O2 MCULE-4651135224 [0,0,0,2,0,0|1,0,0]=3 5733 B9R2.39 O=C1CC2CCC1C2 MCULE-2467634489 [0,0,0,2,0,0|2,0,0]=4 5734 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,2,0,0|2,0,0]=4 5735 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,2,0,0|2,0,0]=4 5736 B9R2.39 O=C1CC2CCC1O2 MCULE-3122768457 [0,0,0,2,0,0|1,0,0]=3 5737 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,0,0,2,0,0|2,0,0]=4 5738 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,0,0,2,0,0|2,0,0]=4 5739 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 MCULE-9992741520 [0,0,0,2,0,0|2,0,0]=4 5740 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 MCULE-2228698965 [0,0,0,2,0,0|2,0,0]=4 5741 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [0,0,0,2,0,0|2,0,0]=4 5742 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [0,0,0,2,0,0|2,0,0]=4 5743 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-6049411288 [0,0,0,2,0,0|2,0,0]=4 5744 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-7775612507 [0,0,0,2,0,0|2,0,0]=4 5745 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [0,0,0,2,0,0|2,0,0]=4 5746 B9R2.39 O=C1OC2CNC1C2 MCULE-1081203973 [0,0,0,2,0,0|1,0,0]=3 5747 B9R2.39 O=C1OC2CNC1C2 MCULE-4715019258 [0,0,0,2,0,0|1,0,0]=3 5748 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-1020161730 [0,0,0,2,0,0|1,0,0]=3 5749 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-3837738406 [0,0,0,2,0,0|1,0,0]=3 5750 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-6980885310 [0,0,0,2,0,0|1,0,0]=3 5751 B9R2.39 OC1CC2CCC1O2 MCULE-3124193235 [0,0,0,2,0,0|1,0,1]=4 5752 B9R2.39 [C@@H]12CC[C@@H](O1)[C@H](C2)O MCULE-2630669259 [0,0,0,2,0,0|1,0,1]=4 5753 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-4857421267 [0,0,0,2,0,0|1,0,0]=3 5754 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-5314520254 [0,0,0,2,0,0|1,0,0]=3 5755 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-8592680797 [0,0,0,2,0,0|1,0,0]=3 5756 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [0,0,0,2,0,0|2,0,0]=4 5757 B9R2.39 [C@H]12CC[C@H](C1)CC2=O MCULE-1488894938 [0,0,0,2,0,0|2,0,0]=4 5758 B9R2.139 O=C1CCC2(C1)CC2 MCULE-5619539726 [0,0,0,2,0,0|2,0,0]=4 5759 B9R2.139 O=C1CCC2(N1)CC2 MCULE-2706136990 [0,0,0,2,0,0|2,0,0]=4 5760 B9R2.139 O=C1NCC2(O1)CC2 MCULE-6216048113 [0,0,0,2,0,0|2,0,0]=4 5761 B9R2.8 O=C1CC2CC(C1)C2 MCULE-9643976907 [0,0,0,2,0,0|2,0,0]=4 5762 B9R2.8 O=C1CC2CC(C1)N2 MCULE-3666889878 [0,0,0,2,0,0|2,0,0]=4 5763 B9R2.21 O=C1CC2CC2CN1 MCULE-8535104450 [0,0,0,2,0,0|2,0,0]=4 5764 B9R2.21 O=C1CCC2CC2N1 MCULE-1049659983 [0,0,0,2,0,0|2,0,0]=4 5765 B9R2.25 O=C1OC(=O)C2C1C2 MCULE-2570796017 [0,0,0,2,0,0|0,0,2]=4 5766 B9R2.109 O=C1CCCC2C1C2 MCULE-3371095042 [0,0,0,2,0,0|2,0,0]=4 5767 B9R2.109 O=C1CCCC2C1O2 MCULE-6955178123 [0,0,0,2,0,0|1,0,0]=3 5768 B9R2.109 O=C1NCCC2C1C2 MCULE-8817732346 [0,0,0,2,0,0|2,0,0]=4 5769 B9R2.109 [C@@H]12CCCC(=O)[C@@H]1C2 MCULE-9081823070 [0,0,0,2,0,0|2,0,0]=4 5770 B9R2.7 O=C1CC2C1NCC2 MCULE-5565431334 [0,0,0,2,0,0|2,0,0]=4 5771 B9R2.7 O=C1CC2C1NCC2 MCULE-8877801710 [0,0,0,2,0,0|2,0,0]=4 5772 B9R2.7 O=C1CC2C1OCC2 MCULE-9845403948 [0,0,0,2,0,0|1,0,0]=3 5773 B9R2.7 O=C1C[C@H]2[C@@H]1OCC2 MCULE-7616272357 [0,0,0,2,0,0|1,0,0]=3 5774 B9R2.7 O=C1NC2C1CCC2 MCULE-4665683392 [0,0,0,2,0,0|2,0,0]=4 5775 B9R2.7 O=C1N[C@@H]2[C@H]1CCC2 MCULE-6354748107 [0,0,0,2,0,0|2,0,0]=4 5776 B9R2.7 [C@@H]12CCO[C@@H]1C(=O)C2 MCULE-8869936364 [0,0,0,2,0,0|1,0,0]=3 5777 B9R2.7 [C@H]12CCC[C@H]1NC2=O MCULE-8553168635 [0,0,0,2,0,0|2,0,0]=4 5778 B9R2.41 O=C1CC(C1)C2CC2 MCULE-3876093576 [0,0,0,2,0,0|2,0,0]=4 5779 B9R2.138 O=C1CC2(C1)CCC2 MCULE-4867746638 [0,0,0,2,0,0|2,0,0]=4 5780 B9R2.138 O=C1CC2(N1)CCC2 MCULE-1390764728 [0,0,0,2,0,0|2,0,0]=4 5781 B9R2.148 O=C(O)C1C2C1CC2 MCULE-2273094599 [0,0,0,2,0,0|1,0,0]=3 5782 B9R2.148 O=C(O)C1C2C1NC2 MCULE-5026622210 [0,0,0,2,0,0|1,0,0]=3 5783 B9R2.69 C(CC1CO1)C2CO2 MCULE-6280715792 [0,0,0,2,0,0|1,0,1]=4 5784 B9R2.143 CC(=O)C1CC12CC2 MCULE-1830516621 [0,0,0,2,0,0|2,0,0]=4 5785 B9R2.143 NC(=O)[C@H]1CC12CC2 MCULE-1517066557 [0,0,0,2,0,0|2,0,0]=4 5786 B9R2.143 O=C(O)C1CC12CC2 MCULE-3123393545 [0,0,0,2,0,0|1,0,0]=3 5787 B9R2.143 O=C(O)[C@H]1CC12CC2 MCULE-5995095647 [0,0,0,2,0,0|1,0,0]=3