0 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 CC(=CC=C(C)C)C MCULE-9852692083 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.6 CC(=O)/C=C/N(C)C MCULE-7703636114 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.6 CC(=O)C=CN(C)C MCULE-2800987098 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,0|1,0,3]=4 18 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.6 CC(=O)NC=C(Cl)Cl MCULE-8744236684 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,0|2,1,1]=4 30 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.6 CC(O)C=CC(C)O MCULE-1362403822 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,0|1,0,3]=4 34 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,0,0,0,0,0|2,0,0]=2 41 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,0,0|1,0,0]=1 42 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,0,0|1,0,0]=1 43 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,0,0,0,0,0|2,0,0]=2 46 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,0,0|1,0,0]=1 47 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,0|1,0,2]=3 49 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,0|2,0,1]=3 53 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,0|2,1,1]=4 54 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [0,0,0,0,0,0|2,0,0]=2 55 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [0,0,0,0,0,0|2,0,0]=2 56 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,0|0,0,0]=0 58 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,0|0,0,0]=0 59 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,0|0,0,0]=0 60 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,0|0,0,2]=2 61 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,0|0,0,0]=0 62 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,0|0,0,0]=0 63 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,0|0,0,0]=0 64 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,0|0,0,0]=0 65 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,0|0,0,0]=0 66 B7R0.6 O=C(O)C=CC(F)F MCULE-5853046592 [0,0,0,0,0,0|2,0,1]=3 67 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,0|1,0,3]=4 68 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,0|0,0,2]=2 69 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,0|0,0,2]=2 70 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,0|1,0,3]=4 71 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,0|2,0,0]=2 72 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [0,0,0,0,0,0|0,0,2]=2 73 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,0,0|0,0,3]=3 74 B7R0.6 O=C([O-])C#CC(=O)[O-] MCULE-8160569506 [0,0,0,0,0,0|0,0,4]=4 75 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [0,0,0,0,0,0|0,0,2]=2 76 B7R0.6 O=C([O-])C=CC([O-])O MCULE-6492820393 [0,0,0,0,0,0|0,0,3]=3 77 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,0|0,0,3]=3 78 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,0,0|0,0,4]=4 79 B7R0.6 O=C([O-])N=NC(=O)[O-] MCULE-3382785265 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.4 C=CC=CC(=O)Cl MCULE-6383997047 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|1,0,2]=4 88 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|1,0,2]=4 90 B6R0.4 CC(C)C=CC=O MCULE-5034551905 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|1,0,1]=3 93 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|1,0,1]=3 94 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|1,0,1]=3 97 B6R0.4 CN(C)/C=C/C=O MCULE-2048385164 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.4 CN(C)C=CC=O MCULE-3308636651 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.4 COC=CC(=O)C MCULE-4868833764 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [1,0,0,0,0,0|1,0,1]=3 106 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,0,0,0,0,0|1,0,1]=3 107 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,0,0,0,0,0|1,0,1]=3 108 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,0,0,0,0,0|1,0,1]=3 109 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,0,0,0,0,0|1,0,1]=3 110 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,0,0,0,0,0|1,0,1]=3 111 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,0,0,0,0|0,0,1]=2 112 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,0,0,0,0,0|0,0,3]=4 113 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,0,0,0,0|0,0,1]=2 116 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|1,0,2]=4 117 B6R0.4 O=CC=CB(O)O MCULE-4655446000 [1,0,0,0,0,0|1,0,1]=3 118 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|0,0,2]=3 119 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|1,0,1]=3 120 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,1,0,0,0,0|1,0,0]=2 121 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,0|1,0,2]=4 124 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,1,0,0,0,0|1,0,0]=2 127 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,0|1,0,2]=4 128 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,1,0,0,0,0|1,0,0]=2 131 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.9 COC(=O)/C=C/B(O)O MCULE-6209327855 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.9 COC(=O)/C=C/C(=O)C MCULE-7597345789 [0,1,0,0,0,0|1,0,0]=2 135 B8R0.9 COC(=O)/C=C/C(=O)N MCULE-9155646828 [0,1,0,0,0,0|1,0,0]=2 136 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,1,0,0,0,0|0,0,0]=1 137 B8R0.9 COC(=O)/C=C/C(C)C MCULE-3160224452 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.9 COC(=O)/C=C/N(C)C MCULE-2402483726 [0,1,0,0,0,0|3,0,0]=4 139 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,1,0,0,0,0|0,0,0]=1 140 B8R0.9 COC(=O)C=CC(=O)C MCULE-5746687781 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.9 COC(=O)C=CC(=O)Cl MCULE-8442342779 [0,1,0,0,0,0|1,0,0]=2 142 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,1,0,0,0,0|0,0,0]=1 143 B8R0.9 COC(=O)C=CC(C)C MCULE-8333658639 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,0|1,0,2]=4 145 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,1,0,0,0,0|1,0,2]=4 146 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,0|0,0,2]=3 148 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,1,0,0,0,0|1,0,2]=4 149 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.9 COC(=O)NC=C(Cl)Cl MCULE-2653117551 [0,1,0,0,0,0|3,0,0]=4 151 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,0|1,0,1]=3 153 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,0|1,0,2]=4 154 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,0|1,0,2]=4 155 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,0|1,0,2]=4 156 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,0|1,0,2]=4 160 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,0|1,0,2]=4 163 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,1,0,0,0,0|0,0,2]=3 164 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,0|1,0,2]=4 165 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,0|1,0,1]=3 167 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,1,0,0,0,0|0,0,0]=1 168 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,1,0,0,0,0|0,0,0]=1 169 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,1,0,0,0,0|0,0,0]=1 170 B8R0.23 C/C(=C\C(C)C)/C(=O)O MCULE-7989780609 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl MCULE-5964382878 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,0,0|0,0,1]=2 173 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,1,0,0,0,0|2,0,0]=3 174 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,1,0,0,0,0|0,0,0]=1 175 B8R0.23 CC(=CC(=O)O)C(C)C MCULE-3448393194 [0,1,0,0,0,0|2,0,1]=4 176 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,1,0,0,0,0|2,0,0]=3 177 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,0|1,0,2]=4 178 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,0|1,0,2]=4 179 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,0|1,0,2]=4 180 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,0|1,0,2]=4 181 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,0|1,0,2]=4 182 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,0|1,0,2]=4 183 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,0|2,0,1]=4 184 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,1,0,0,0,0|3,0,0]=4 185 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,0|2,0,1]=4 193 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,0|2,0,1]=4 195 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,0|1,0,2]=4 198 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,0|0,0,2]=3 199 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,0|0,0,2]=3 200 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,1,0,0,0,0|2,0,1]=4 201 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,0|0,0,2]=3 203 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,0|0,0,2]=3 204 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,0|0,0,2]=3 205 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,0|0,0,2]=3 206 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,0|1,0,2]=4 208 B8R0.23 NC(=O)C=C(N)C(=O)N MCULE-1435081726 [0,1,0,0,0,0|2,0,0]=3 209 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,0|1,0,2]=4 210 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,0|1,0,2]=4 211 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,0|1,0,2]=4 214 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,0|1,0,2]=4 215 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,0|1,0,2]=4 217 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,0|1,0,2]=4 218 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,0|1,0,2]=4 219 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,0|1,0,2]=4 221 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,0|1,0,2]=4 222 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,0|0,0,2]=3 223 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,0|0,0,2]=3 224 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,0|0,0,3]=4 225 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,0|0,0,3]=4 226 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,0|0,0,3]=4 227 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,0|0,0,2]=3 228 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,0|0,0,2]=3 229 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,0|0,0,3]=4 230 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,0|0,0,3]=4 231 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,0,0|1,0,2]=4 232 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,0,0|1,0,2]=4 233 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,0|0,0,2]=3 234 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,1,0,0,0,0|0,0,0]=1 235 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,1,0,0,0,0|0,0,0]=1 236 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,1,0,0,0,0|0,0,0]=1 237 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,0,0|0,0,1]=2 239 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,0|0,0,2]=3 240 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,0|0,0,2]=3 241 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,0|0,0,2]=3 242 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,0|0,0,2]=3 243 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,0|0,0,2]=3 244 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,0|0,0,2]=3 245 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,0|0,0,2]=3 246 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,0|0,0,2]=3 247 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,0|0,0,2]=3 248 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,0|0,0,2]=3 249 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,0|0,0,2]=3 250 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,0|0,0,2]=3 251 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,0|0,0,2]=3 252 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,0|0,0,2]=3 253 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,0|0,0,2]=3 254 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,0|0,0,2]=3 255 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,0|0,0,3]=4 256 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,0|0,0,2]=3 257 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,0|0,0,2]=3 259 B8R0.29 CC(C)(C)/C=C/C(=O)O MCULE-8309589516 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.29 CC(C)(C)C=CC(=O)O MCULE-1811374550 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,0,0|1,0,2]=4 262 B8R0.29 CS(=O)(=O)C=CC(=O)O MCULE-9110705817 [0,1,0,0,0,0|1,0,1]=3 263 B8R0.29 O=C(O)/C=C/C(F)(F)F MCULE-3378493641 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.29 O=C(O)C=CC(F)(F)F MCULE-2835286637 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,1,0,0,0,0|1,0,2]=4 266 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,1,0,0,0,0|1,0,2]=4 267 B8R1.3 CC1=CC=C(C=C1)O MCULE-2287247927 [0,0,0,1,0,0|3,0,0]=4 268 B8R1.3 CC1=CN=C(C=C1)O MCULE-1035082824 [0,0,0,1,0,0|3,0,0]=4 269 B8R1.3 CC1=NC=C(C=C1)O MCULE-4968086738 [0,0,0,1,0,0|3,0,0]=4 270 B8R1.3 CC1=NN=C(C=C1)O MCULE-9825690329 [0,0,0,1,0,0|3,0,0]=4 271 B8R1.3 CC1=NNC(=O)C=C1 MCULE-2635221520 [0,0,0,1,0,0|3,0,0]=4 272 B8R1.3 NC1=CC=C(C=C1)O MCULE-3319647085 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.3 NC1=CC=C(C=C1)O MCULE-5783123558 [0,0,0,1,0,0|3,0,0]=4 274 B8R1.3 NC1=CC=C(C=C1)O MCULE-6245482865 [0,0,0,1,0,0|3,0,0]=4 275 B8R1.3 NC1=CC=C(C=C1)O MCULE-8722796613 [0,0,0,1,0,0|3,0,0]=4 276 B8R1.3 NC1=CC=C(C=N1)O MCULE-1264393961 [0,0,0,1,0,0|3,0,0]=4 277 B8R1.3 NC1=CC=C(C=N1)O MCULE-2411032340 [0,0,0,1,0,0|3,0,0]=4 278 B8R1.3 NC1=CC=C(C=N1)O MCULE-8871525849 [0,0,0,1,0,0|3,0,0]=4 279 B8R1.3 NC1=CC=C(N=C1)O MCULE-6943198399 [0,0,0,1,0,0|3,0,0]=4 280 B8R1.3 NC1=CN=C(C=C1)O MCULE-6988862087 [0,0,0,1,0,0|3,0,0]=4 281 B8R1.3 NC1=NC=C(C=C1)O MCULE-2997414318 [0,0,0,1,0,0|3,0,0]=4 282 B8R1.3 NC1=NC=C(C=C1)O MCULE-4193221796 [0,0,0,1,0,0|3,0,0]=4 283 B8R1.3 NC1=NN=C(C=C1)O MCULE-6431022261 [0,0,0,1,0,0|3,0,0]=4 284 B8R1.3 O=C1C=CC(=CN1)Br MCULE-5174732595 [0,0,0,1,0,0|3,0,0]=4 285 B8R1.3 O=C1C=CC(=CO1)Br MCULE-6339514817 [0,0,0,1,0,0|2,0,0]=3 286 B8R1.3 O=C1C=CC(=NN1)Cl MCULE-9091661850 [0,0,0,1,0,0|3,0,0]=4 287 B8R1.3 O=C1C=CC(=NN1)F MCULE-8050086590 [0,0,0,1,0,0|3,0,0]=4 288 B8R1.3 O=C1C=CC(=O)C=C1 MCULE-2576853438 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.3 O=C1C=CC(=O)N=N1 MCULE-5664955304 [0,0,0,1,0,0|2,0,0]=3 290 B8R1.3 O=C1C=CC(=O)NN1 MCULE-5100178532 [0,0,0,1,0,0|2,0,0]=3 291 B8R1.3 O=C1C=CC(OC1)O MCULE-1206409270 [0,0,0,1,0,0|1,0,2]=4 292 B8R1.3 O=C1C=CN(C=C1)O MCULE-2975189217 [0,0,0,1,0,0|3,0,0]=4 293 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,0|1,0,2]=4 294 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,0|2,0,1]=4 295 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,0|2,0,1]=4 296 B8R1.3 O=C1N=CC(=CN1)O MCULE-9708220927 [0,0,0,1,0,0|3,0,0]=4 297 B8R1.3 OC1=CC=C(C=C1)Br MCULE-4578744293 [0,0,0,1,0,0|3,0,0]=4 298 B8R1.3 OC1=CC=C(C=C1)Cl MCULE-4022476067 [0,0,0,1,0,0|3,0,0]=4 299 B8R1.3 OC1=CC=C(C=C1)F MCULE-2144683806 [0,0,0,1,0,0|3,0,0]=4 300 B8R1.3 OC1=CC=C(C=C1)I MCULE-3055280208 [0,0,0,1,0,0|3,0,0]=4 301 B8R1.3 OC1=CC=C(C=C1)O MCULE-3953269041 [0,0,0,1,0,0|2,0,0]=3 302 B8R1.3 OC1=CC=C(C=C1)S MCULE-8877950867 [0,0,0,1,0,0|2,1,0]=4 303 B8R1.3 OC1=CC=C(C=N1)F MCULE-5148094359 [0,0,0,1,0,0|3,0,0]=4 304 B8R1.3 OC1=CC=C(N=C1)Br MCULE-9266150713 [0,0,0,1,0,0|3,0,0]=4 305 B8R1.3 OC1=CC=C(N=C1)Cl MCULE-5667551988 [0,0,0,1,0,0|3,0,0]=4 306 B8R1.3 OC1=CC=C(N=C1)O MCULE-5547223106 [0,0,0,1,0,0|2,0,0]=3 307 B8R1.3 OC1=CN=C(C=C1)F MCULE-1138188594 [0,0,0,1,0,0|3,0,0]=4 308 B8R1.3 OC1=CN=C(C=C1)I MCULE-2904387031 [0,0,0,1,0,0|3,0,0]=4 309 B8R1.3 OC1=CN=C(C=N1)O MCULE-9267292773 [0,0,0,1,0,0|3,0,0]=4 310 B8R1.3 OC1=NC=C(C=C1)Cl MCULE-5728159818 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.3 OC1=NC=C(C=C1)F MCULE-1779057732 [0,0,0,1,0,0|3,0,0]=4 312 B8R1.3 OC1=NC=C(C=C1)I MCULE-7932759130 [0,0,0,1,0,0|3,0,0]=4 313 B8R1.3 OC1=NN=C(C=C1)Br MCULE-8600852904 [0,0,0,1,0,0|3,0,0]=4 314 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,0|1,0,2]=4 315 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,0|1,0,2]=4 316 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,0|1,0,2]=4 317 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,0|0,0,2]=3 318 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,0|1,0,2]=4 319 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,0|1,0,2]=4 320 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,0|1,0,2]=4 321 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,0|1,0,2]=4 322 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [0,0,0,1,0,0|2,0,1]=4 323 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [0,0,0,1,0,0|2,0,1]=4 324 B8R1.51 O=S1(=O)C=CC(=N1)O MCULE-4572650391 [0,0,0,1,0,0|2,0,1]=4 325 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,1,0|2,0,1]=4 326 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,1,0|2,0,1]=4 327 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,1,0|3,0,0]=4 328 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,1,0|3,0,0]=4 329 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,1,0|2,0,0]=3 330 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,1,0|2,0,0]=3 331 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,1,0|2,0,0]=3 332 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,1,0|2,0,0]=3 333 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,1,0|3,0,0]=4 334 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,1,0|2,0,1]=4 335 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,1,0|2,0,1]=4 336 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,1,0|3,0,0]=4 337 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,1,0|3,0,0]=4 338 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,1,0|3,0,0]=4 339 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,1,0|2,0,0]=3 340 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,1,0|2,0,1]=4 341 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,1,0|2,0,1]=4 342 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,1,0|2,0,1]=4 343 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,1,0|1,0,1]=3 344 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,1,0|1,0,2]=4 345 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,1,0|1,0,2]=4 346 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,1,0|3,0,0]=4 347 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,1,0|3,0,0]=4 348 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,1,0|3,0,0]=4 349 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,1,0|3,0,0]=4 350 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,1,0|2,0,1]=4 351 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,1,0|2,0,1]=4 352 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,1,0|1,0,2]=4 353 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,1,0|1,0,2]=4 354 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,1,0|1,0,2]=4 355 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,1,0|1,0,2]=4 356 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,1,0|1,0,2]=4 357 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,1,0|1,0,2]=4 358 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,1,0|2,0,1]=4 359 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,1,0|1,0,1]=3 360 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,1,0|3,0,0]=4 361 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,1,0|2,0,1]=4 362 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,1,0|2,0,0]=3 363 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,1,0|2,0,0]=3 364 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,1,0|1,0,2]=4 365 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,1,0|0,0,1]=2 366 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,1,0|1,0,2]=4 367 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,1,0|0,0,3]=4 368 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,1,0|0,0,3]=4 369 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,1|2,0,1]=4 370 B8R0.28 CC(=O)/C=C/C=C(C)C MCULE-5490143321 [0,0,0,0,0,1|3,0,0]=4 371 B8R0.28 CC(=O)C=CC=C(C)C MCULE-5494168281 [0,0,0,0,0,1|3,0,0]=4 372 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,1|1,0,0]=2 373 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,1|1,0,2]=4 374 B8R0.28 CC(=O)N/C=C\N(=O)=O MCULE-3763691549 [0,0,0,0,0,1|2,0,1]=4 375 B8R0.28 CC(=O)NC=C[N+](=O)[O-] MCULE-4106299228 [0,0,0,0,0,1|2,0,1]=4 376 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,1|1,0,2]=4 377 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,1|1,0,2]=4 378 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,1|1,0,2]=4 379 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,0,0,0,0,1|2,0,1]=4 380 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,0,0,0,0,1|2,0,1]=4 381 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,0,0,0,0,1|2,0,1]=4 382 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2726508724 [0,0,0,0,0,1|3,0,0]=4 383 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2945466855 [0,0,0,0,0,1|3,0,0]=4 384 B8R0.28 CN(C)CC=CC(=O)O MCULE-5265576987 [0,0,0,0,0,1|3,0,0]=4 385 B8R0.28 CN(C)CC=CC(=O)O MCULE-6262530852 [0,0,0,0,0,1|3,0,0]=4 386 B8R0.28 N/C(=N/N=CC(=O)O)/S MCULE-8699765131 [0,0,0,0,0,1|2,1,0]=4 387 B8R0.28 N=C(N)S/C=C\C(=O)O MCULE-1708035663 [0,0,0,0,0,1|2,0,0]=3 388 B8R0.28 N=C(N)S/C=C\C(=O)O MCULE-2482978602 [0,0,0,0,0,1|2,0,0]=3 389 B8R0.28 N=C(N)SC=CC(=O)O MCULE-5337300674 [0,0,0,0,0,1|2,0,0]=3 390 B8R0.28 N=C(N)SC=CC(=O)O MCULE-6588794853 [0,0,0,0,0,1|2,0,0]=3 391 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,0,1|1,0,2]=4 392 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,1|1,0,2]=4 393 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,0,1|1,0,2]=4 394 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,0,1|1,0,2]=4 395 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,0,0,0,1|1,0,0]=2 396 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,1|1,0,2]=4 397 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,0,0,0,1|2,0,0]=3 398 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,0,1|0,0,0]=1 399 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,0,1|0,0,0]=1 400 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,0,1|0,0,2]=3 401 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,0,1|0,0,2]=3 402 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,0,1|0,0,2]=3 403 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,0,1|0,0,2]=3 404 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,0,1|0,0,3]=4 405 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,0,1|0,0,3]=4 406 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [2,0,0,0,0,0|1,0,1]=4 407 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [2,0,0,0,0,0|1,0,1]=4 408 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [2,0,0,0,0,0|1,0,1]=4 409 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|0,0,1]=3 410 B5R0.1 C=CC=C(C)C MCULE-7590870659 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.1 C=CC=C(Cl)Cl MCULE-3787858961 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [2,0,0,0,0,0|1,0,1]=4 413 B5R0.1 C=CCC(=O)N MCULE-1205335257 [2,0,0,0,0,0|1,0,1]=4 414 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|0,0,1]=3 415 B5R0.1 C=CNC(=O)C MCULE-1260296806 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.1 C=CNC(=O)N MCULE-4235216182 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.1 C=COC(=O)C MCULE-7626795765 [2,0,0,0,0,0|2,0,0]=4 418 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [2,0,0,0,0,0|0,0,2]=4 420 B5R0.1 CC(=CC=O)C MCULE-7002222435 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.1 CC(=CC=O)N MCULE-2659507627 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [2,0,0,0,0,0|1,0,1]=4 426 B5R0.1 CC(=O)C=NO MCULE-5513006918 [2,0,0,0,0,0|2,0,0]=4 427 B5R0.1 CC=CC(=O)C MCULE-4826977340 [2,0,0,0,0,0|1,0,1]=4 428 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [2,0,0,0,0,0|1,0,1]=4 429 B5R0.1 CC=CC(=O)N MCULE-9693879476 [2,0,0,0,0,0|1,0,1]=4 430 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|0,0,1]=3 431 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [2,0,0,0,0,0|2,0,0]=4 432 B5R0.1 NC(=O)C=NO MCULE-6447662753 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [2,0,0,0,0,0|2,0,0]=4 434 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [2,0,0,0,0,0|1,0,0]=3 435 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [2,0,0,0,0,0|1,0,0]=3 436 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [2,0,0,0,0,0|1,0,0]=3 437 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [2,0,0,0,0,0|1,0,0]=3 438 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [2,0,0,0,0,0|1,0,0]=3 439 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [2,0,0,0,0,0|1,0,0]=3 440 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [2,0,0,0,0,0|1,0,0]=3 441 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [2,0,0,0,0,0|1,0,0]=3 442 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [2,0,0,0,0,0|1,0,0]=3 443 B5R0.1 O=C(O)C=CI MCULE-7162332129 [2,0,0,0,0,0|1,0,0]=3 444 B5R0.1 O=C(O)C=NO MCULE-2039309679 [2,0,0,0,0,0|1,0,0]=3 445 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|0,0,2]=4 446 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|1,0,1]=4 447 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [2,0,0,0,0,0|1,0,1]=4 448 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [2,0,0,0,0,0|1,0,1]=4 449 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [2,0,0,0,0,0|2,0,0]=4 450 B5R0.2 C=C/C=C/C=C MCULE-2938938774 [2,0,0,0,0,0|2,0,0]=4 451 B5R0.2 CC/C=C/C=O MCULE-5102906061 [2,0,0,0,0,0|1,0,1]=4 452 B5R0.2 CC=CC=CC MCULE-7702675183 [2,0,0,0,0,0|2,0,0]=4 453 B5R0.2 CCC=CC=O MCULE-1318250395 [2,0,0,0,0,0|1,0,1]=4 454 B5R0.2 O/N=C/C=N/O MCULE-6032089277 [2,0,0,0,0,0|2,0,0]=4 455 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|0,0,2]=4 456 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|0,0,2]=4 457 B5R0.2 O=CNNC=O MCULE-7634212643 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.2 OC/C=C/CO MCULE-4752272005 [2,0,0,0,0,0|0,0,2]=4 459 B5R0.2 OC/C=C\CO MCULE-2695577582 [2,0,0,0,0,0|0,0,2]=4 460 B5R0.2 OCC=CCO MCULE-9559211408 [2,0,0,0,0,0|0,0,2]=4 461 B5R0.2 ON=CC=NO MCULE-4643147888 [2,0,0,0,0,0|2,0,0]=4 462 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [1,1,0,0,0,0|0,0,0]=2 463 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,1,0,0,0,0|1,0,1]=4 465 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [1,1,0,0,0,0|2,0,0]=4 466 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [1,1,0,0,0,0|2,0,0]=4 467 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,1,0,0,0,0|0,0,2]=4 469 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,1,0,0,0,0|1,0,1]=4 470 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [1,1,0,0,0,0|1,0,1]=4 471 B7R0.3 C=CC=CC(=O)OC MCULE-1940821537 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [1,1,0,0,0,0|1,0,1]=4 473 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [1,1,0,0,0,0|1,0,1]=4 474 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.3 CCC(O)C=CC=O MCULE-4385008411 [1,1,0,0,0,0|1,0,1]=4 477 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [1,1,0,0,0,0|1,0,1]=4 478 B7R0.3 CO/C=C/C(=O)OC MCULE-8858181328 [1,1,0,0,0,0|2,0,0]=4 479 B7R0.3 COC(=O)/C=C/CBr MCULE-5511432414 [1,1,0,0,0,0|1,0,1]=4 480 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [1,1,0,0,0,0|1,0,1]=4 481 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [1,1,0,0,0,0|1,0,1]=4 482 B7R0.3 COC(=O)/C=C\CBr MCULE-5925439397 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [1,1,0,0,0,0|0,0,0]=2 484 B7R0.3 COC(=O)C=CCBr MCULE-1558782396 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,1,0,0,0,0|0,0,2]=4 489 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.3 COC=CC(=O)OC MCULE-3167643214 [1,1,0,0,0,0|2,0,0]=4 491 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [1,1,0,0,0,0|1,0,0]=3 494 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-2438491537 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-8550303604 [1,1,0,0,0,0|1,0,1]=4 496 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [1,1,0,0,0,0|1,0,0]=3 497 B7R0.4 C=CC=COC(=O)C MCULE-8556263077 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.4 CC=CC=CC(=O)C MCULE-1781846029 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.4 CC=CC=CC(=O)Cl MCULE-7711381941 [1,1,0,0,0,0|2,0,0]=4 500 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [1,1,0,0,0,0|1,0,0]=3 501 B7R0.4 CC=CC=CC(=O)[O-] MCULE-4983552708 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.4 CC=CC=CC(=O)[O-] MCULE-7794252065 [1,1,0,0,0,0|1,0,1]=4 503 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|1,0,1]=4 505 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [1,1,0,0,0,0|0,0,1]=3 509 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [1,1,0,0,0,0|0,0,1]=3 510 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,1,0,0,0,0|0,1,1]=4 511 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|0,0,2]=4 513 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,1,0,0,0,0|0,0,2]=4 514 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [1,1,0,0,0,0|1,0,0]=3 515 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,1,0,0,0,0|1,0,1]=4 518 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [1,1,0,0,0,0|1,0,1]=4 521 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,1,0,0,0,0|1,0,1]=4 523 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,1,0|1,0,1]=4 524 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,1,0,0,1,0|1,0,1]=4 525 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,1,0,0,1,0|0,0,0]=2 526 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,1,0|2,0,0]=4 527 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,1,0|2,0,0]=4 528 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,1,0|2,0,0]=4 529 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,1,0|2,0,0]=4 530 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,1,0|2,0,0]=4 531 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,1,0|0,0,1]=3 532 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,1,0|0,0,1]=3 533 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl MCULE-4004262160 [0,1,0,0,1,0|2,0,0]=4 534 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,1,0,0,1,0|0,0,0]=2 535 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,1,0|0,0,1]=3 536 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,1,0|0,0,1]=3 537 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,1,0|0,0,1]=3 538 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-3642448111 [0,1,0,0,1,0|0,0,2]=4 539 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-7835235837 [0,1,0,0,1,0|0,0,2]=4 540 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [0,1,0,0,0,1|0,0,2]=4 541 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [0,1,0,0,0,1|0,0,2]=4 542 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [0,1,0,0,0,1|0,0,2]=4 543 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [0,1,0,0,0,1|0,0,2]=4 544 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [0,1,0,0,0,1|0,0,2]=4 545 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [0,1,0,0,0,1|0,0,2]=4 546 B9R0.7 C/C(=N/NC(=O)N)/C(=O)O MCULE-9321060192 [0,1,0,0,0,1|2,0,0]=4 547 B9R0.7 C/C(=N\NC(=O)N)/C(=O)O MCULE-7459723879 [0,1,0,0,0,1|2,0,0]=4 548 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,0,0,0,1|0,0,1]=3 549 B9R0.7 CC(=NNC(=O)N)C(=O)O MCULE-9419629764 [0,1,0,0,0,1|2,0,0]=4 550 B9R0.7 CC(=O)NN=C(C)C(=O)O MCULE-4949211950 [0,1,0,0,0,1|2,0,0]=4 551 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,0,1|0,0,2]=4 552 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,0,1|0,0,2]=4 553 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,1,0,0,0,1|0,0,2]=4 554 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,1,0,0,0,1|0,0,2]=4 555 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,1,0,0,0,1|0,0,2]=4 556 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,0,1|0,0,2]=4 557 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,0,1|0,0,2]=4 558 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,0,1|0,0,2]=4 559 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,1,0,0,0,1|0,0,2]=4 560 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,1,0,0,0,1|0,0,2]=4 561 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,0,0,0,1|0,0,2]=4 562 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,0,0,0,1|0,0,2]=4 563 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,0,0,0,1|0,0,2]=4 564 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,0,0,0,1|0,0,2]=4 565 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,0,0,0,1|0,0,2]=4 566 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,0,0,0,1|0,0,2]=4 567 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,0,0,0,1|0,0,2]=4 568 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,0,0,0,1|0,0,2]=4 569 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,0,0,0,1|0,0,2]=4 570 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,0,0,0,1|0,0,2]=4 571 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,0,0,0,1|0,0,1]=3 572 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,1,0,0,0,1|0,0,2]=4 573 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,0,0,0,1|0,0,2]=4 574 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,0,1|0,0,2]=4 575 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,0,1|0,0,2]=4 576 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,0,1|0,0,2]=4 577 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,0,0,0,1|0,0,2]=4 578 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,0,0,0,1|0,0,2]=4 579 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,0,0,0,1|0,0,2]=4 580 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,0,1|0,0,2]=4 581 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,1,0,0,0,1|0,0,1]=3 582 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,1,0,0,0,1|0,0,2]=4 583 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,0,0,0,1|0,0,2]=4 584 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,0,1|0,0,2]=4 585 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,1,0,0,0,1|0,0,0]=2 586 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,1,0,0,0,1|0,0,0]=2 587 B9R0.53 CC(=CC(=O)[O-])NC(=O)N MCULE-1665858457 [0,1,0,0,0,1|1,0,1]=4 588 B9R0.53 CC(=CC(=O)[O-])NC(=O)N MCULE-9752039511 [0,1,0,0,0,1|1,0,1]=4 589 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,1,0,0,0,1|0,0,2]=4 590 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,1,0,0,0,1|0,0,2]=4 591 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,1,0,0,0,1|0,0,2]=4 592 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,1,0,0,0,1|0,0,2]=4 593 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,1,0,0,0,1|0,0,2]=4 594 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,1,0,0,0,1|0,0,2]=4 595 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,1,0,0,0,1|0,0,0]=2 596 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,1,0,0,0,1|0,0,1]=3 597 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,1,0,0,0,1|0,0,2]=4 598 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,1,0,0,0,1|0,0,2]=4 599 B9R0.21 COC(=O)C=CS(=O)(=O)Cl MCULE-4423379896 [0,2,0,0,0,0|1,0,1]=4 600 B9R0.21 COC(=O)C=CS(=O)(=O)F MCULE-3726247693 [0,2,0,0,0,0|1,0,1]=4 601 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,2,0,0,0,0|0,0,2]=4 602 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [0,2,0,0,0,0|0,0,1]=3 603 B9R0.23 C=C(NC(=O)C)C(=O)OC MCULE-8995388871 [0,2,0,0,0,0|2,0,0]=4 604 B9R0.23 COC(=O)/C(=C/C(=O)O)/Br MCULE-9236300450 [0,2,0,0,0,0|0,0,0]=2 605 B9R0.23 COC(=O)C(=CC(=O)C)O MCULE-4086335030 [0,2,0,0,0,0|1,0,0]=3 606 B9R0.23 COC(=O)C(=CC(=O)C)[O-] MCULE-6893575885 [0,2,0,0,0,0|1,0,0]=3 607 B9R0.23 COC(=O)C(=CC(=O)O)Br MCULE-7067392588 [0,2,0,0,0,0|0,0,0]=2 608 B9R0.23 COC(=O)C(=O)CC(=O)C MCULE-8074026108 [0,2,0,0,0,0|1,0,1]=4 609 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,2,0,0,0,0|0,0,2]=4 610 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,2,0,0,0,0|0,0,2]=4 611 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [0,2,0,0,0,0|1,0,1]=4 612 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,2,0,0,0,0|0,0,2]=4 613 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,2,0,0,0,0|0,0,2]=4 614 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,2,0,0,0,0|0,0,2]=4 615 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [0,2,0,0,0,0|0,0,2]=4 616 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [0,2,0,0,0,0|0,0,2]=4 617 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,2,0,0,0,0|0,0,2]=4 618 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,2,0,0,0,0|0,0,2]=4 619 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,2,0,0,0,0|0,0,2]=4 620 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [0,2,0,0,0,0|0,0,2]=4 621 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [0,2,0,0,0,0|0,0,2]=4 622 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,2,0,0,0,0|0,0,2]=4 623 B9R0.24 C(=C\C(=O)OC)\C(=O)OC MCULE-9787020384 [0,2,0,0,0,0|0,0,0]=2 624 B9R0.24 COC(=O)/C=C/C(=O)OC MCULE-4208733984 [0,2,0,0,0,0|0,0,0]=2 625 B9R0.24 COC(=O)/N=N/C(=O)OC MCULE-3672642911 [0,2,0,0,0,0|2,0,0]=4 626 B9R0.24 COC(=O)C#CC(=O)OC MCULE-2522916991 [0,2,0,0,0,0|0,0,2]=4 627 B9R0.24 COC(=O)C=CC(=O)OC MCULE-8277820773 [0,2,0,0,0,0|0,0,0]=2 628 B9R0.24 COC(=O)C=CC(O)CO MCULE-8824735317 [0,2,0,0,0,0|0,0,2]=4 629 B9R0.24 COC(=O)CCC(=O)OC MCULE-1133524094 [0,2,0,0,0,0|0,0,2]=4 630 B9R0.24 COC(=O)CNC(=O)OC MCULE-1305795476 [0,2,0,0,0,0|1,0,1]=4 631 B9R0.24 COC(=O)N=NC(=O)OC MCULE-9355928501 [0,2,0,0,0,0|2,0,0]=4 632 B9R0.24 COC(=O)NNC(=O)OC MCULE-3681044847 [0,2,0,0,0,0|2,0,0]=4 633 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,2,0,0,0,0|0,0,2]=4 634 B9R0.42 C=C(CC(=O)NC)C(=O)O MCULE-5432016245 [0,2,0,0,0,0|1,0,1]=4 635 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,2,0,0,0,0|0,0,1]=3 636 B9R0.42 C=C(NC(=O)CCl)C(=O)O MCULE-5735536490 [0,2,0,0,0,0|2,0,0]=4 637 B9R0.42 C=C(NC(=O)CN)C(=O)O MCULE-8924892837 [0,2,0,0,0,0|2,0,0]=4 638 B9R0.42 COC(=O)C=C(N)C(=O)N MCULE-5883616486 [0,2,0,0,0,0|1,0,0]=3 639 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [0,2,0,0,0,0|0,0,1]=3 640 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,2,0,0,0,0|0,0,2]=4 641 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,2,0,0,0,0|0,0,2]=4 642 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,2,0,0,0,0|0,0,2]=4 643 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,2,0,0,0,0|0,0,2]=4 644 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,2,0,0,0,0|0,0,2]=4 645 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,2,0,0,0,0|0,0,2]=4 646 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,2,0,0,0,0|0,0,2]=4 647 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,2,0,0,0,0|0,0,2]=4 648 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,2,0,0,0,0|0,0,2]=4 649 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,2,0,0,0,0|0,0,2]=4 650 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,2,0,0,0,0|0,0,2]=4 651 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,2,0,0,0,0|0,0,2]=4 652 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,2,0,0,0,0|0,0,2]=4 653 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,2,0,0,0,0|0,0,2]=4 654 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,2,0,0,0,0|0,0,2]=4 655 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,2,0,0,0,0|0,0,2]=4 656 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,2,0,0,0,0|0,0,2]=4 657 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,2,0,0,0,0|0,0,2]=4 658 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,2,0,0,0,0|0,0,2]=4 659 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,2,0,0,0,0|0,0,2]=4 660 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [0,2,0,0,0,0|1,0,1]=4 661 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [0,2,0,0,0,0|1,0,1]=4 662 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [0,2,0,0,0,0|1,0,1]=4 663 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,2,0,0,0,0|0,0,2]=4 664 B9R0.43 COC(/C=C/C(=O)O)OC MCULE-9922370689 [0,2,0,0,0,0|0,0,2]=4 665 B9R0.48 C=C(C)C=CC(=O)OCC MCULE-4545651414 [0,2,0,0,0,0|2,0,0]=4 666 B9R0.48 CCNC(=O)C=CC(=O)O MCULE-3469131343 [0,2,0,0,0,0|1,0,0]=3 667 B9R0.48 CCOC(=O)/C=C/C(=O)C MCULE-1277426448 [0,2,0,0,0,0|1,0,0]=3 668 B9R0.48 CCOC(=O)/C=C/C(=O)O MCULE-2354207944 [0,2,0,0,0,0|0,0,0]=2 669 B9R0.48 CCOC(=O)/C=C/N(=O)=O MCULE-2776366889 [0,2,0,0,0,0|1,0,1]=4 670 B9R0.48 CCOC(=O)/C=C\C(=O)O MCULE-9139116808 [0,2,0,0,0,0|0,0,0]=2 671 B9R0.48 CCOC(=O)C=CB(O)O MCULE-3769461803 [0,2,0,0,0,0|1,0,1]=4 672 B9R0.48 CCOC(=O)C=CC(=O)C MCULE-7029387078 [0,2,0,0,0,0|1,0,0]=3 673 B9R0.48 CCOC(=O)C=CC(=O)Cl MCULE-9896065168 [0,2,0,0,0,0|1,0,0]=3 674 B9R0.48 CCOC(=O)C=CC(=O)O MCULE-7475947730 [0,2,0,0,0,0|0,0,0]=2 675 B9R0.48 CCOC(=O)C=CC(=O)[O-] MCULE-3490373917 [0,2,0,0,0,0|0,0,1]=3 676 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [0,2,0,0,0,0|0,0,2]=4 677 B9R0.48 CCOC(=O)NCC(=O)O MCULE-6050328577 [0,2,0,0,0,0|1,0,1]=4 678 B9R0.48 COCC(=O)NCC(=O)O MCULE-2679622476 [0,2,0,0,0,0|1,0,1]=4 679 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,2,0,0,0,0|0,0,2]=4 680 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,2,0,0,0,0|0,0,2]=4 681 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,2,0,0,0,0|0,0,2]=4 682 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,2,0,0,0,0|0,0,2]=4 683 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,2,0,0,0,0|0,0,2]=4 684 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,2,0,0,0,0|0,0,2]=4 685 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,2,0,0,0,0|0,0,2]=4 686 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,2,0,0,0,0|0,0,2]=4 687 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,2,0,0,0,0|0,0,2]=4 688 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,2,0,0,0,0|0,0,2]=4 689 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,2,0,0,0,0|0,0,1]=3 690 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,2,0,0,0,0|0,0,2]=4 691 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,2,0,0,0,0|0,0,2]=4 692 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,2,0,0,0,0|0,0,2]=4 693 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,2,0,0,0,0|0,0,2]=4 694 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,2,0,0,0,0|0,0,2]=4 695 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,2,0,0,0,0|0,0,2]=4 696 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,2,0,0,0,0|0,0,2]=4 697 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,2,0,0,0,0|0,0,2]=4 698 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,2,0,0,0,0|0,0,2]=4 699 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,2,0,0,0,0|0,0,2]=4 700 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,2,0,0,0,0|0,0,2]=4 701 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,2,0,0,0,0|1,0,1]=4 702 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,2,0,0,0,0|0,0,2]=4 703 B9R0.57 C=C(OP(=O)(O)O)C(=O)O MCULE-3602390360 [0,2,0,0,0,0|2,0,0]=4 704 B9R0.57 C=C(OP(=O)(O)O)C(=O)O MCULE-8044116150 [0,2,0,0,0,0|2,0,0]=4 705 B9R0.79 CC(=C(C)C(=O)O)C(=O)O MCULE-7892331868 [0,2,0,0,0,0|0,0,0]=2 706 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,2,0,0,0,0|0,0,2]=4 707 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,2,0,0,0,0|0,0,2]=4 708 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,2,0,0,0,0|0,0,2]=4 709 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,2,0,0,0,0|0,0,2]=4 710 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,2,0,0,0,0|0,0,2]=4 711 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,2,0,0,0,0|0,0,2]=4 712 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,2,0,0,0,0|0,0,2]=4 713 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,2,0,0,0,0|0,0,2]=4 714 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,2,0,0,0,0|0,0,2]=4 715 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,2,0,0,0,0|0,0,2]=4 716 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,2,0,0,0,0|0,0,2]=4 717 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,2,0,0,0,0|0,0,2]=4 718 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,2,0,0,0,0|0,0,2]=4 719 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,2,0,0,0,0|0,0,0]=2 720 B9R0.79 O=C(O)C(=C(Br)C(=O)O)Br MCULE-6375677777 [0,2,0,0,0,0|0,0,0]=2 721 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,2,0,0,0,0|0,0,0]=2 722 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,2,0,0,0,0|0,0,2]=4 723 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,2,0,0,0,0|0,0,2]=4 724 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,2,0,0,0,0|0,0,2]=4 725 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,2,0,0,0,0|0,0,2]=4 726 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,2,0,0,0,0|0,0,2]=4 727 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,2,0,0,0,0|0,0,2]=4 728 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,2,0,0,0,0|0,0,2]=4 729 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,2,0,0,0,0|0,0,2]=4 730 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,2,0,0,0,0|0,0,2]=4 731 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,2,0,0,0,0|0,0,2]=4 732 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,2,0,0,0,0|0,0,2]=4 733 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,2,0,0,0,0|0,0,2]=4 734 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,2,0,0,0,0|0,0,2]=4 735 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,2,0,0,0,0|0,0,2]=4 736 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,2,0,0,0,0|0,0,2]=4 737 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,2,0,0,0,0|0,0,2]=4 738 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,2,0,0,0,0|0,0,2]=4 739 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,2,0,0,0,0|0,0,2]=4 740 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,2,0,0,0,0|0,0,2]=4 741 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,2,0,0,0,0|0,0,2]=4 742 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,2,0,0,0,0|0,0,2]=4 743 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,2,0,0,0,0|0,0,2]=4 744 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,2,0,0,0,0|0,0,2]=4 745 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,2,0,0,0,0|0,0,2]=4 746 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,2,0,0,0,0|0,0,2]=4 747 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,2,0,0,0,0|0,0,2]=4 748 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,2,0,0,0,0|0,0,2]=4 749 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,2,0,0,0,0|0,0,2]=4 750 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,2,0,0,0,0|0,0,2]=4 751 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,2,0,0,0,0|0,0,2]=4 752 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,2,0,0,0,0|0,0,2]=4 753 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,2,0,0,0,0|0,0,2]=4 754 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,2,0,0,0,0|0,0,2]=4 755 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,2,0,0,0,0|0,0,2]=4 756 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,2,0,0,0,0|0,0,2]=4 757 B7R1.2 BrC1=CC=C(O1)Br MCULE-3006502201 [1,0,0,1,0,0|2,0,0]=4 758 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [1,0,0,1,0,0|1,0,0]=3 759 B7R1.2 CC1=CC=C(O1)Br MCULE-2815956180 [1,0,0,1,0,0|2,0,0]=4 760 B7R1.2 CC1=CC=C(O1)C MCULE-2776549830 [1,0,0,1,0,0|2,0,0]=4 761 B7R1.2 CC1=CC=C(O1)N MCULE-5583871788 [1,0,0,1,0,0|2,0,0]=4 762 B7R1.2 CC1=CC=C(S1)O MCULE-7587913788 [1,0,0,1,0,0|1,1,0]=4 763 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,0,0,1,0,0|1,0,1]=4 764 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,0,0,1,0,0|1,0,1]=4 765 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [1,0,0,1,0,0|1,0,1]=4 766 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [1,0,0,1,0,0|1,0,0]=3 767 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [1,0,0,1,0,0|1,0,0]=3 768 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [1,0,0,1,0,0|0,0,0]=2 769 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [1,0,0,1,0,0|1,0,1]=4 770 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [1,0,0,1,0,0|1,0,1]=4 771 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [1,0,0,1,0,0|0,0,1]=3 772 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [1,0,0,1,0,0|1,0,1]=4 773 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [1,0,0,1,0,0|1,0,1]=4 774 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [1,0,0,1,0,0|2,0,0]=4 775 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [1,0,0,1,0,0|0,0,2]=4 776 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [1,0,0,1,0,0|1,0,1]=4 777 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [1,0,0,1,0,0|2,0,0]=4 778 B7R1.2 OC1=CC=C(S1)Br MCULE-2888788322 [1,0,0,1,0,0|1,1,0]=4 779 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [1,0,0,1,0,0|1,0,0]=3 780 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [1,0,0,1,0,0|1,0,1]=4 781 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [1,0,0,1,0,0|1,0,1]=4 782 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [1,0,0,1,0,0|1,0,1]=4 783 B7R1.3 OC1=CC=CC=C1 MCULE-9943948107 [1,0,0,1,0,0|2,0,0]=4 784 B7R1.3 OC1=CN=CC=C1 MCULE-3642491076 [1,0,0,1,0,0|2,0,0]=4 785 B7R1.3 OC1=NC=CC=C1 MCULE-2999696825 [1,0,0,1,0,0|2,0,0]=4 786 B7R1.3 OC1=NC=CC=C1 MCULE-3754843987 [1,0,0,1,0,0|2,0,0]=4 787 B7R1.3 OC1=NN=CC=C1 MCULE-6627322308 [1,0,0,1,0,0|2,0,0]=4 788 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|1,0,1]=4 789 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,1,0,0|1,0,1]=4 790 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [1,0,0,1,0,0|1,0,1]=4 791 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,1|0,0,2]=4 792 B9R1.35 CC(=O)C1=CC=C(O1)Br MCULE-1389197223 [0,0,0,1,0,1|2,0,0]=4 793 B9R1.35 CC(=O)C1=CC=C(O1)C MCULE-9973272981 [0,0,0,1,0,1|2,0,0]=4 794 B9R1.35 CC(=O)C1=CN=C(O1)N MCULE-3094522836 [0,0,0,1,0,1|2,0,0]=4 795 B9R1.35 CC(=O)N1C=CC(=N1)O MCULE-4892767932 [0,0,0,1,0,1|2,0,0]=4 796 B9R1.35 CC1=CC(=CN1)C(=O)O MCULE-4982775315 [0,0,0,1,0,1|2,0,0]=4 797 B9R1.35 CC1=CC(=CO1)C(=O)O MCULE-3833413693 [0,0,0,1,0,1|2,0,0]=4 798 B9R1.35 CC1=CC(=CS1)C(=O)O MCULE-5909428849 [0,0,0,1,0,1|2,0,0]=4 799 B9R1.35 CC1=CC=C(N1)C(=O)O MCULE-6987274204 [0,0,0,1,0,1|2,0,0]=4 800 B9R1.35 CC1=CC=C(O1)C(=O)Cl MCULE-1498862196 [0,0,0,1,0,1|2,0,0]=4 801 B9R1.35 CC1=CC=C(O1)C(=O)N MCULE-8746023630 [0,0,0,1,0,1|2,0,0]=4 802 B9R1.35 CC1=CC=C(O1)C(=O)O MCULE-6590848957 [0,0,0,1,0,1|1,0,0]=3 803 B9R1.35 CC1=CC=C(S1)C(=O)O MCULE-6715993492 [0,0,0,1,0,1|1,1,0]=4 804 B9R1.35 CC1=CN=C(O1)C(=O)O MCULE-5426414000 [0,0,0,1,0,1|1,0,0]=3 805 B9R1.35 CC1=CN=C(O1)C(=O)[O-] MCULE-8127904610 [0,0,0,1,0,1|1,0,1]=4 806 B9R1.35 CC1=CN=C(O1)C(=O)[O-] MCULE-8932616993 [0,0,0,1,0,1|1,0,1]=4 807 B9R1.35 CC1=CN=C(S1)C(=O)O MCULE-9124687390 [0,0,0,1,0,1|1,1,0]=4 808 B9R1.35 CC1=CNC(=C1)C(=O)O MCULE-7059587168 [0,0,0,1,0,1|2,0,0]=4 809 B9R1.35 CC1=CNC(=N1)C(=O)O MCULE-4906334606 [0,0,0,1,0,1|2,0,0]=4 810 B9R1.35 CC1=CNC(=N1)C(=O)O MCULE-7347586263 [0,0,0,1,0,1|2,0,0]=4 811 B9R1.35 CC1=COC(=C1)C(=O)O MCULE-9747579066 [0,0,0,1,0,1|2,0,0]=4 812 B9R1.35 CC1=COC(=N1)C(=O)O MCULE-1328462517 [0,0,0,1,0,1|2,0,0]=4 813 B9R1.35 CC1=CSC(=C1)C(=O)O MCULE-6801775447 [0,0,0,1,0,1|2,0,0]=4 814 B9R1.35 CC1=CSC(=N1)C(=O)O MCULE-5377335783 [0,0,0,1,0,1|2,0,0]=4 815 B9R1.35 CC1=NC(=CN1)C(=O)O MCULE-9687548902 [0,0,0,1,0,1|2,0,0]=4 816 B9R1.35 CC1=NC(=CO1)C(=O)O MCULE-5941440614 [0,0,0,1,0,1|2,0,0]=4 817 B9R1.35 CC1=NC(=CS1)C(=O)O MCULE-2302425661 [0,0,0,1,0,1|2,0,0]=4 818 B9R1.35 CC1=NC(=CS1)C(=O)O MCULE-5100080967 [0,0,0,1,0,1|2,0,0]=4 819 B9R1.35 CC1=NC(=CS1)C(=O)O MCULE-8354893803 [0,0,0,1,0,1|2,0,0]=4 820 B9R1.35 CC1=NC=C(O1)C(=O)N MCULE-1951896352 [0,0,0,1,0,1|2,0,0]=4 821 B9R1.35 CC1=NC=C(O1)C(=O)O MCULE-6374752093 [0,0,0,1,0,1|1,0,0]=3 822 B9R1.35 CC1=NC=C(S1)C(=O)O MCULE-1715629651 [0,0,0,1,0,1|1,1,0]=4 823 B9R1.35 CC1=NN=C(O1)C(=O)O MCULE-7165747305 [0,0,0,1,0,1|2,0,0]=4 824 B9R1.35 NC(=O)C1=CC=C(O1)Br MCULE-7532932219 [0,0,0,1,0,1|2,0,0]=4 825 B9R1.35 NC(=O)C1=CC=C(O1)I MCULE-1266825193 [0,0,0,1,0,1|2,0,0]=4 826 B9R1.35 NC(=O)C1=CN=C(O1)N MCULE-3769650861 [0,0,0,1,0,1|2,0,0]=4 827 B9R1.35 NC1=CC(=CS1)C(=O)O MCULE-2963920308 [0,0,0,1,0,1|2,0,0]=4 828 B9R1.35 NC1=CC(=CS1)C(=O)O MCULE-5571428862 [0,0,0,1,0,1|2,0,0]=4 829 B9R1.35 NC1=CC=C(N1)C(=O)O MCULE-5208029782 [0,0,0,1,0,1|2,0,0]=4 830 B9R1.35 NC1=CN=C(S1)C(=O)O MCULE-3559963123 [0,0,0,1,0,1|1,1,0]=4 831 B9R1.35 NC1=CN=C(S1)C(=O)O MCULE-6535850000 [0,0,0,1,0,1|1,1,0]=4 832 B9R1.35 NC1=CNC(=C1)C(=O)O MCULE-5415250073 [0,0,0,1,0,1|2,0,0]=4 833 B9R1.35 NC1=CNC(=N1)C(=O)O MCULE-4133970235 [0,0,0,1,0,1|2,0,0]=4 834 B9R1.35 NC1=CSC(=C1)C(=O)O MCULE-4848582549 [0,0,0,1,0,1|2,0,0]=4 835 B9R1.35 NC1=CSC(=C1)C(=O)O MCULE-7512029277 [0,0,0,1,0,1|2,0,0]=4 836 B9R1.35 NC1=NC(=CN1)C(=O)O MCULE-1485966557 [0,0,0,1,0,1|2,0,0]=4 837 B9R1.35 NC1=NC(=CO1)C(=O)O MCULE-7591773620 [0,0,0,1,0,1|2,0,0]=4 838 B9R1.35 NC1=NC(=CS1)C(=O)O MCULE-2940184015 [0,0,0,1,0,1|2,0,0]=4 839 B9R1.35 NC1=NC(=CS1)C(=O)O MCULE-6733274164 [0,0,0,1,0,1|2,0,0]=4 840 B9R1.35 NC1=NC(=CS1)C(=O)O MCULE-8372887078 [0,0,0,1,0,1|2,0,0]=4 841 B9R1.35 NC1=NC=C(O1)C(=O)O MCULE-9746785354 [0,0,0,1,0,1|1,0,0]=3 842 B9R1.35 NC1=NC=C(S1)C(=O)O MCULE-7626123830 [0,0,0,1,0,1|1,1,0]=4 843 B9R1.35 NC1=NN=C(O1)C(=O)O MCULE-6520978340 [0,0,0,1,0,1|2,0,0]=4 844 B9R1.35 O=C(Cl)C1=CC=C(O1)Br MCULE-4822647716 [0,0,0,1,0,1|2,0,0]=4 845 B9R1.35 O=C(Cl)C1=CC=C(O1)Cl MCULE-8350215092 [0,0,0,1,0,1|2,0,0]=4 846 B9R1.35 O=C(O)C1=CC(=CN1)Br MCULE-5413993794 [0,0,0,1,0,1|2,0,0]=4 847 B9R1.35 O=C(O)C1=CC(=CN1)Cl MCULE-3563331543 [0,0,0,1,0,1|2,0,0]=4 848 B9R1.35 O=C(O)C1=CC(=CN1)F MCULE-5396770825 [0,0,0,1,0,1|2,0,0]=4 849 B9R1.35 O=C(O)C1=CC(=CN1)I MCULE-6663353052 [0,0,0,1,0,1|2,0,0]=4 850 B9R1.35 O=C(O)C1=CC(=CO1)Br MCULE-8874165183 [0,0,0,1,0,1|2,0,0]=4 851 B9R1.35 O=C(O)C1=CC(=CO1)Cl MCULE-2755887010 [0,0,0,1,0,1|2,0,0]=4 852 B9R1.35 O=C(O)C1=CC(=CS1)Br MCULE-3215230238 [0,0,0,1,0,1|2,0,0]=4 853 B9R1.35 O=C(O)C1=CC(=CS1)Cl MCULE-5391563592 [0,0,0,1,0,1|2,0,0]=4 854 B9R1.35 O=C(O)C1=CC(=CS1)F MCULE-6565971084 [0,0,0,1,0,1|2,0,0]=4 855 B9R1.35 O=C(O)C1=CC(=CS1)O MCULE-4772728495 [0,0,0,1,0,1|1,0,0]=3 856 B9R1.35 O=C(O)C1=CC(=NO1)O MCULE-4091331329 [0,0,0,1,0,1|2,0,0]=4 857 B9R1.35 O=C(O)C1=CC=C(N1)Br MCULE-7394837443 [0,0,0,1,0,1|2,0,0]=4 858 B9R1.35 O=C(O)C1=CC=C(N1)Cl MCULE-5770211324 [0,0,0,1,0,1|2,0,0]=4 859 B9R1.35 O=C(O)C1=CC=C(O1)Br MCULE-6194417885 [0,0,0,1,0,1|1,0,0]=3 860 B9R1.35 O=C(O)C1=CC=C(O1)Cl MCULE-1354138883 [0,0,0,1,0,1|1,0,0]=3 861 B9R1.35 O=C(O)C1=CC=C(O1)F MCULE-1270135272 [0,0,0,1,0,1|1,0,0]=3 862 B9R1.35 O=C(O)C1=CC=C(O1)I MCULE-9691222760 [0,0,0,1,0,1|1,0,0]=3 863 B9R1.35 O=C(O)C1=CC=C(S1)Br MCULE-4848894693 [0,0,0,1,0,1|1,1,0]=4 864 B9R1.35 O=C(O)C1=CC=C(S1)Cl MCULE-5610315272 [0,0,0,1,0,1|1,1,0]=4 865 B9R1.35 O=C(O)C1=CC=C(S1)F MCULE-9715640662 [0,0,0,1,0,1|1,1,0]=4 866 B9R1.35 O=C(O)C1=CC=C(S1)I MCULE-2454892500 [0,0,0,1,0,1|1,1,0]=4 867 B9R1.35 O=C(O)C1=CN=C(N1)Br MCULE-4474261991 [0,0,0,1,0,1|2,0,0]=4 868 B9R1.35 O=C(O)C1=CN=C(N1)Cl MCULE-4622360113 [0,0,0,1,0,1|2,0,0]=4 869 B9R1.35 O=C(O)C1=CN=C(O1)Br MCULE-1205835335 [0,0,0,1,0,1|1,0,0]=3 870 B9R1.35 O=C(O)C1=CN=C(O1)Cl MCULE-3783515083 [0,0,0,1,0,1|1,0,0]=3 871 B9R1.35 O=C(O)C1=CN=C(S1)Br MCULE-1848481035 [0,0,0,1,0,1|1,1,0]=4 872 B9R1.35 O=C(O)C1=CN=C(S1)Cl MCULE-4005312484 [0,0,0,1,0,1|1,1,0]=4 873 B9R1.35 O=C(O)C1=CN=C(S1)I MCULE-3187988111 [0,0,0,1,0,1|1,1,0]=4 874 B9R1.35 O=C(O)C1=CNC(=C1)Br MCULE-7070022577 [0,0,0,1,0,1|2,0,0]=4 875 B9R1.35 O=C(O)C1=CNC(=C1)Cl MCULE-3108565697 [0,0,0,1,0,1|2,0,0]=4 876 B9R1.35 O=C(O)C1=CNC(=N1)S MCULE-8206263153 [0,0,0,1,0,1|1,1,0]=4 877 B9R1.35 O=C(O)C1=COC(=C1)Br MCULE-1089920498 [0,0,0,1,0,1|2,0,0]=4 878 B9R1.35 O=C(O)C1=COC(=C1)Cl MCULE-2469235944 [0,0,0,1,0,1|2,0,0]=4 879 B9R1.35 O=C(O)C1=COC(=N1)Br MCULE-2675592853 [0,0,0,1,0,1|2,0,0]=4 880 B9R1.35 O=C(O)C1=COC(=N1)Cl MCULE-9123994881 [0,0,0,1,0,1|2,0,0]=4 881 B9R1.35 O=C(O)C1=COC(=N1)I MCULE-9039043557 [0,0,0,1,0,1|2,0,0]=4 882 B9R1.35 O=C(O)C1=CSC(=C1)Br MCULE-5219101423 [0,0,0,1,0,1|2,0,0]=4 883 B9R1.35 O=C(O)C1=CSC(=C1)Cl MCULE-4675960369 [0,0,0,1,0,1|2,0,0]=4 884 B9R1.35 O=C(O)C1=CSC(=C1)F MCULE-4657799890 [0,0,0,1,0,1|2,0,0]=4 885 B9R1.35 O=C(O)C1=CSC(=C1)I MCULE-1455425367 [0,0,0,1,0,1|2,0,0]=4 886 B9R1.35 O=C(O)C1=CSC(=N1)Br MCULE-6978306709 [0,0,0,1,0,1|2,0,0]=4 887 B9R1.35 O=C(O)C1=CSC(=N1)Cl MCULE-6782548401 [0,0,0,1,0,1|2,0,0]=4 888 B9R1.35 O=C(O)C1=CSC(=N1)I MCULE-7322672763 [0,0,0,1,0,1|2,0,0]=4 889 B9R1.35 O=C(O)C1=NC(=CN1)Br MCULE-1751560893 [0,0,0,1,0,1|2,0,0]=4 890 B9R1.35 O=C(O)C1=NC(=CN1)Br MCULE-2466935848 [0,0,0,1,0,1|2,0,0]=4 891 B9R1.35 O=C(O)C1=NC(=CN1)Cl MCULE-7638142763 [0,0,0,1,0,1|2,0,0]=4 892 B9R1.35 O=C(O)C1=NC(=CN1)I MCULE-4446782521 [0,0,0,1,0,1|2,0,0]=4 893 B9R1.35 O=C(O)C1=NC(=CO1)Br MCULE-7910036298 [0,0,0,1,0,1|2,0,0]=4 894 B9R1.35 O=C(O)C1=NC(=CO1)Cl MCULE-6405842038 [0,0,0,1,0,1|2,0,0]=4 895 B9R1.35 O=C(O)C1=NC(=CS1)Br MCULE-4432964769 [0,0,0,1,0,1|2,0,0]=4 896 B9R1.35 O=C(O)C1=NC(=CS1)Cl MCULE-5777610128 [0,0,0,1,0,1|2,0,0]=4 897 B9R1.35 O=C(O)C1=NC=C(O1)Br MCULE-7919798812 [0,0,0,1,0,1|1,0,0]=3 898 B9R1.35 O=C(O)C1=NC=C(O1)Cl MCULE-8432156268 [0,0,0,1,0,1|1,0,0]=3 899 B9R1.35 O=C(O)C1=NC=C(S1)Br MCULE-8751254247 [0,0,0,1,0,1|1,1,0]=4 900 B9R1.35 O=C(O)C1=NC=C(S1)Cl MCULE-3460227817 [0,0,0,1,0,1|1,1,0]=4 901 B9R1.35 O=C(O)C1=NNC(=N1)O MCULE-2701424429 [0,0,0,1,0,1|2,0,0]=4 902 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,1,0,1|1,0,1]=4 903 B9R1.35 O=C1C=C(NN1)C(=O)O MCULE-2820101826 [0,0,0,1,0,1|2,0,0]=4 904 B9R1.35 O=C1CC(=NN1)C(=O)O MCULE-2135539733 [0,0,0,1,0,1|2,0,0]=4 905 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,1|0,0,2]=4 906 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,1|0,0,2]=4 907 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,1|0,0,2]=4 908 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,1|0,0,2]=4 909 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,1|0,0,2]=4 910 B9R1.35 O=C1NC(=CO1)C(=O)O MCULE-2610586771 [0,0,0,1,0,1|1,0,0]=3 911 B9R1.35 O=C1NC(=CS1)C(=O)O MCULE-6848220699 [0,0,0,1,0,1|1,0,0]=3 912 B9R1.35 O=C1NC(=NO1)C(=O)O MCULE-5897124585 [0,0,0,1,0,1|2,0,0]=4 913 B9R1.35 O=C1NC=C(N1)C(=O)O MCULE-2879870126 [0,0,0,1,0,1|1,0,0]=3 914 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,0,0,1,0,1|0,0,0]=2 915 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,1,0,1|0,0,2]=4 916 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,1,0,1|0,0,2]=4 917 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,1,0,1|0,0,2]=4 918 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,1|0,0,2]=4 919 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,0,1,0,1|0,0,2]=4 920 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,0,0,1,0,1|0,0,2]=4 921 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,0,1,0,1|0,0,2]=4 922 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,0,1,0,1|0,0,2]=4 923 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,0,1,0,1|0,0,2]=4 924 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,0,0,1,0,1|0,0,2]=4 925 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,0,0,1,0,1|0,0,2]=4 926 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,0,1,0,1|0,0,2]=4 927 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,0,1,0,1|0,0,2]=4 928 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,0,1,0,1|0,0,2]=4 929 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,0,0,1,0,1|0,0,2]=4 930 B9R1.1 COC1=CC=C(C=C1)O MCULE-7494596350 [0,1,0,1,0,0|2,0,0]=4 931 B9R1.1 COC1=CN=C(C=C1)O MCULE-7721559771 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.1 COC1=NC=C(C=C1)O MCULE-8018598355 [0,1,0,1,0,0|2,0,0]=4 933 B9R1.1 COC1=NNC(=O)C=C1 MCULE-3763017253 [0,1,0,1,0,0|2,0,0]=4 934 B9R1.1 N#CC1=COC(=O)C=C1 MCULE-4221608627 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.1 O=C1C=CC(=NO)C=C1 MCULE-4869501073 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.1 O=CC1=CC=C(C=C1)O MCULE-3788300475 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.1 O=CC1=CC=C(C=N1)O MCULE-6399734120 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.1 O=CC1=CC=C(N=N1)O MCULE-3141603763 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.1 O=CC1=CN=C(C=C1)O MCULE-6313045326 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.1 O=NC1=CC=C(C=C1)O MCULE-4969576661 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.1 OCC1=CC=C(C=C1)O MCULE-8377025602 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.1 OCC1=CC=C(N=C1)O MCULE-2368909464 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.1 OCC1=NC=C(C=C1)O MCULE-1938065199 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.1 OCC1=NN=C(C=C1)O MCULE-9072809673 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.69 CC1=C(C=C(C=C1)O)O MCULE-2408715752 [0,1,0,1,0,0|2,0,0]=4 946 B9R1.69 CC1=C(C=CC(=C1)O)O MCULE-7035325950 [0,1,0,1,0,0|2,0,0]=4 947 B9R1.69 CC1=CC(=COC1=O)Br MCULE-6085127770 [0,1,0,1,0,0|2,0,0]=4 948 B9R1.69 CC1=CC(=O)C(=CO1)O MCULE-1008730092 [0,1,0,1,0,0|2,0,0]=4 949 B9R1.69 CC1=CC(=O)C=CC1=O MCULE-9650878933 [0,1,0,1,0,0|2,0,0]=4 950 B9R1.69 CC1=CC(=O)N=NC1=O MCULE-7254554797 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.69 CC1=CC(=O)NNC1=O MCULE-6634066970 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.69 CN1C=C(C=CC1=O)O MCULE-9715288226 [0,1,0,1,0,0|2,0,0]=4 953 B9R1.69 CN1N=C(C=CC1=O)O MCULE-8163221889 [0,1,0,1,0,0|2,0,0]=4 954 B9R1.69 NC1=C(C=C(C=C1)O)O MCULE-5551823921 [0,1,0,1,0,0|2,0,0]=4 955 B9R1.69 NC1=C(C=C(C=C1)O)O MCULE-6173842597 [0,1,0,1,0,0|2,0,0]=4 956 B9R1.69 NC1=C(C=CC(=N1)O)O MCULE-8231172232 [0,1,0,1,0,0|2,0,0]=4 957 B9R1.69 NC1=CC(=CC=C1O)O MCULE-1966420290 [0,1,0,1,0,0|2,0,0]=4 958 B9R1.69 NC1=CC(=CC=C1O)O MCULE-2745404604 [0,1,0,1,0,0|2,0,0]=4 959 B9R1.69 O=C1C=CC(=O)C(=C1)Br MCULE-5586115628 [0,1,0,1,0,0|2,0,0]=4 960 B9R1.69 O=C1C=CC(=O)C(=C1)Cl MCULE-1579895781 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.69 O=C1C=CC(=O)C(=C1)I MCULE-1220508693 [0,1,0,1,0,0|2,0,0]=4 962 B9R1.69 O=C1NC(=CC=C1O)Cl MCULE-7098135447 [0,1,0,1,0,0|2,0,0]=4 963 B9R1.69 O=C1OC=C(C=C1Br)Br MCULE-8458560788 [0,1,0,1,0,0|2,0,0]=4 964 B9R1.69 OC1=CC(=C(C=C1)Cl)O MCULE-3501750597 [0,1,0,1,0,0|2,0,0]=4 965 B9R1.69 OC1=CC(=C(C=C1)F)O MCULE-2864916454 [0,1,0,1,0,0|2,0,0]=4 966 B9R1.69 OC1=CC(=C(C=C1)O)Br MCULE-7894538628 [0,1,0,1,0,0|2,0,0]=4 967 B9R1.69 OC1=CC(=C(C=C1)O)Cl MCULE-1544406646 [0,1,0,1,0,0|2,0,0]=4 968 B9R1.69 OC1=CC(=C(C=C1)O)F MCULE-7342403868 [0,1,0,1,0,0|2,0,0]=4 969 B9R1.69 OC1=CC(=C(C=C1)O)O MCULE-7246728993 [0,1,0,1,0,0|1,0,1]=4 970 B9R1.69 OC1=CC(=C(N=N1)O)Br MCULE-1785056960 [0,1,0,1,0,0|2,0,0]=4 971 B9R1.69 OC1=CC=C(C(=C1)O)Br MCULE-4293278885 [0,1,0,1,0,0|2,0,0]=4 972 B9R1.69 OC1=CC=C(C(=C1)S)O MCULE-4223537116 [0,1,0,1,0,0|1,1,0]=4 973 B9R1.69 OC1=NN=C(C(=C1)Cl)O MCULE-2672137288 [0,1,0,1,0,0|2,0,0]=4 974 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,2,0|2,0,0]=4 975 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,2,0|2,0,0]=4 976 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,2,0|2,0,0]=4 977 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,2,0|2,0,0]=4 978 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,2,0|2,0,0]=4 979 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,2,0|2,0,0]=4 980 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,2,0|2,0,0]=4 981 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,2,0|1,0,0]=3 982 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,2,0|1,0,1]=4 983 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,2,0|1,0,1]=4 984 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,2,0|1,0,1]=4 985 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,2,0|1,0,1]=4 986 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,2,0|1,0,1]=4 987 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,2,0|1,0,1]=4 988 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,2,0|1,0,1]=4 989 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,2,0|1,0,1]=4 990 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,2,0|1,0,1]=4 991 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,2,0|2,0,0]=4 992 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,2,0|1,0,0]=3 993 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,2,0|1,0,1]=4 994 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,2,0|1,0,1]=4 995 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,2,0|1,0,1]=4 996 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,0,0,2,0|2,0,0]=4 997 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,0,0,2,0|2,0,0]=4 998 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,2,0|0,0,0]=2 999 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,2,0|0,0,0]=2 1000 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,2,0|0,0,0]=2 1001 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,2,0|0,0,0]=2 1002 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,2,0|0,0,0]=2 1003 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,2,0|0,0,0]=2 1004 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,2,0|0,0,0]=2 1005 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,2,0|0,0,0]=2 1006 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,2,0|0,0,0]=2 1007 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,2,0|0,0,0]=2 1008 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,2,0|0,0,0]=2 1009 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,0,0,0,2,0|0,0,2]=4 1010 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,0,0,2,0|0,0,2]=4 1011 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,0,0,2,0|0,0,2]=4 1012 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,0,0,2,0|0,0,2]=4 1013 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,0,0,2,0|0,0,2]=4 1014 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,0,0,2,0|0,0,2]=4 1015 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,0,0,2,0|0,0,2]=4 1016 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,0,0,2,0|0,0,2]=4 1017 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,0,0,2,0|0,0,2]=4 1018 B9R0.55 O=C(O)/C=C/C=C/C(=O)O MCULE-6385818003 [0,0,0,0,0,2|0,0,0]=2 1019 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,0,0,0,0,2|0,0,0]=2 1020 B9R0.55 O=C(O)/C=C\C=C/C(=O)O MCULE-3782370049 [0,0,0,0,0,2|0,0,0]=2 1021 B9R0.55 O=C(O)/C=C\C=C\C(=O)O MCULE-1285367069 [0,0,0,0,0,2|0,0,0]=2 1022 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [0,0,0,0,0,2|0,0,0]=2 1023 B9R0.55 O=C(O)C=CC=CC(=O)O MCULE-7565238801 [0,0,0,0,0,2|0,0,0]=2 1024 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,0,0,0,0,2|0,0,0]=2 1025 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [0,0,0,0,0,2|0,0,0]=2 1026 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,0,0,0,0,2|0,0,2]=4 1027 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,0,0,0,0,2|0,0,2]=4 1028 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,0,0,0,0,2|0,0,2]=4 1029 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,0,0,0,0,2|0,0,2]=4 1030 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,0,0,0,0,2|0,0,2]=4 1031 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [0,0,0,0,0,2|0,0,2]=4 1032 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,0,0,0,0,2|0,0,2]=4 1033 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,0,0,0,0,2|0,0,2]=4