0 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 C=C(C)CNC(=S)N MCULE-3514300945 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.6 CC(=O)NN=C(C)C MCULE-9759901228 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.6 CC(=O)NNC(=S)N MCULE-4923078693 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,0|0,0,2]=2 51 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,0|0,0,2]=2 52 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,0,0,0,0,0|2,0,1]=3 53 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,0|1,0,1]=2 55 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,0|1,0,1]=2 56 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,0|3,0,0]=3 64 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,0|2,0,0]=2 65 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,0,0,0,0,0|2,0,1]=3 66 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,0|1,0,1]=2 68 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.6 NC(=O)NNC(=S)N MCULE-4551414784 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,0|2,0,0]=2 71 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,0|1,0,1]=2 72 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,0,0|4,0,0]=4 73 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,0|4,0,0]=4 83 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,0|3,0,0]=3 84 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,0|3,0,0]=3 85 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,0|4,0,0]=4 87 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,0|3,0,0]=3 90 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,0,0|3,0,1]=4 91 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,0|3,0,0]=3 92 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.6 O=C([O-])N=NC(=O)[O-] MCULE-3382785265 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.4 C=CCNC(=S)N MCULE-4099442157 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.4 C=CCSC(=N)N MCULE-8236628420 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.4 C=CCSC(=[NH2+])N MCULE-7174450469 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|1,0,2]=4 121 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|1,0,2]=4 122 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|1,0,2]=4 131 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|1,0,2]=4 132 B6R0.4 N#N=NCC(=O)N MCULE-8839477322 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|1,0,1]=3 134 B6R0.4 N=C(N)NCCO MCULE-5114367892 [1,0,0,0,0,0|0,0,3]=4 135 B6R0.4 N=C(N)NCCO MCULE-6389092248 [1,0,0,0,0,0|0,0,3]=4 136 B6R0.4 N=C(N)SCCO MCULE-5563309692 [1,0,0,0,0,0|1,0,2]=4 137 B6R0.4 N=C(N)SCCO MCULE-5671847690 [1,0,0,0,0,0|1,0,2]=4 138 B6R0.4 NC(=NCCO)N MCULE-5043697998 [1,0,0,0,0,0|0,0,1]=2 139 B6R0.4 NC(=NCCS)N MCULE-4111802244 [1,0,0,0,0,0|0,1,1]=3 140 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.4 NC(=O)CN=C=S MCULE-1111706944 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|1,0,2]=4 143 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.4 NC(=S)NCCO MCULE-9343742573 [1,0,0,0,0,0|1,0,2]=4 146 B6R0.4 NC(=S)NNC=O MCULE-5309261345 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,0,0,0,0,0|1,0,2]=4 148 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,0,0,0,0,0|1,0,2]=4 149 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,0,0,0,0,0|1,0,2]=4 150 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,0,0,0,0,0|1,0,2]=4 151 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|1,0,1]=3 156 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|1,0,1]=3 157 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|2,0,0]=3 158 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|1,0,2]=4 165 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|1,0,1]=3 167 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,1,0,0,0,0|2,0,1]=4 173 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,1,0,0,0,0|2,0,1]=4 174 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,0|2,0,1]=4 176 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,0|1,0,1]=3 184 B8R0.9 COC(=O)/C=C/C(=O)N MCULE-9155646828 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,0|3,0,0]=4 186 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,1,0,0,0,0|3,0,0]=4 187 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,0|3,0,0]=4 189 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,1,0,0,0,0|2,0,0]=3 190 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.9 COC(=O)CSC(=N)N MCULE-5721573915 [0,1,0,0,0,0|1,0,1]=3 192 B8R0.9 COC(=O)CSC(=N)N MCULE-8534299006 [0,1,0,0,0,0|1,0,1]=3 193 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,0|2,0,0]=3 195 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,0|2,0,0]=3 196 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,0|2,0,0]=3 197 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,0|1,0,1]=3 199 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,0|1,0,1]=3 200 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,0|1,0,1]=3 201 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,0|1,0,1]=3 202 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,0|1,0,1]=3 203 B8R0.9 NNC(=O)CCC(=O)N MCULE-9710004878 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,0|2,0,0]=3 205 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,0|2,0,0]=3 206 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,1,0,0,0,0|1,0,1]=3 208 B8R0.9 NNC(=S)NCC(=O)N MCULE-6705086685 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,0|3,0,0]=4 212 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,1,0,0,0,0|2,0,0]=3 213 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,0|3,0,0]=4 215 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,0,0|3,0,0]=4 217 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,0,0|3,0,0]=4 218 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,0,0|3,0,0]=4 219 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,0|3,0,0]=4 224 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,0,0|3,0,0]=4 230 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,1,0,0,0,0|1,0,1]=3 232 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,0|3,0,0]=4 246 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,0|3,0,0]=4 247 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,0|3,0,0]=4 248 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,0|3,0,0]=4 249 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,0|3,0,0]=4 250 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,0|3,0,0]=4 251 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,0|2,0,0]=3 252 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,0|3,0,0]=4 253 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,0|3,0,0]=4 254 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,1,0,0,0,0|0,0,2]=3 255 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,1,0,0,0,0|1,0,1]=3 256 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,0,0|0,0,2]=3 257 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,0,0|0,0,2]=3 258 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,0,0|0,0,2]=3 259 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,0|1,0,1]=3 260 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,0|3,0,0]=4 262 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,0|3,0,0]=4 263 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,0|3,0,0]=4 264 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,0|3,0,0]=4 265 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,1,0,0,0,0|1,0,1]=3 266 B8R0.23 N=C(N=C(N)N)S(=O)O MCULE-4300625520 [0,1,0,0,0,0|1,0,1]=3 267 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,0|2,0,0]=3 268 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,0|2,0,0]=3 269 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,0|2,0,0]=3 270 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,0|3,0,0]=4 271 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,0|2,0,0]=3 272 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,0|2,0,0]=3 273 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,0|3,0,0]=4 274 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,0|3,0,0]=4 275 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,0|3,0,0]=4 276 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,0|2,0,0]=3 278 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,0|2,0,0]=3 279 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,0|1,0,1]=3 280 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,0|2,0,0]=3 281 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,0|2,0,0]=3 282 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,0|2,0,0]=3 283 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,0|2,0,0]=3 284 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,0|2,0,0]=3 285 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,0|2,0,0]=3 286 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,0|3,0,0]=4 287 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,0|3,0,0]=4 288 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,0|3,0,0]=4 289 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,0|3,0,0]=4 290 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,0|3,0,0]=4 291 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,0|3,0,0]=4 292 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,0|3,0,0]=4 294 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,0|3,0,0]=4 295 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,0|3,0,0]=4 296 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,1,0,0,0,0|3,0,0]=4 297 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,0,0|3,0,0]=4 298 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,0|3,0,0]=4 299 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,0|3,0,0]=4 300 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,0|3,0,0]=4 301 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,0|3,0,0]=4 302 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,0|3,0,0]=4 303 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,0|3,0,0]=4 304 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,0|3,0,0]=4 305 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,0|3,0,0]=4 306 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,0|3,0,0]=4 307 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,0|3,0,0]=4 308 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,0|3,0,0]=4 309 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,0|3,0,0]=4 310 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,0|3,0,0]=4 311 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,0|3,0,0]=4 312 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,0|3,0,0]=4 313 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,0|3,0,0]=4 314 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,0|3,0,0]=4 315 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,0|3,0,0]=4 316 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,0|1,0,1]=3 317 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,0|3,0,0]=4 318 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [0,1,0,0,0,0|2,0,1]=4 319 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,1,0,0,0,0|3,0,0]=4 321 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,1,0,0,0,0|3,0,0]=4 322 B8R1.3 NC1=CC=C(C=N1)O MCULE-1264393961 [0,0,0,1,0,0|2,0,1]=4 323 B8R1.3 NC1=CC=C(C=N1)O MCULE-2411032340 [0,0,0,1,0,0|2,0,1]=4 324 B8R1.3 NC1=CC=C(C=N1)O MCULE-8871525849 [0,0,0,1,0,0|2,0,1]=4 325 B8R1.3 NC1=NC=C(C=C1)O MCULE-2997414318 [0,0,0,1,0,0|2,0,1]=4 326 B8R1.3 NC1=NC=C(C=C1)O MCULE-4193221796 [0,0,0,1,0,0|2,0,1]=4 327 B8R1.3 NC1=NC=C(C=N1)O MCULE-6151508479 [0,0,0,1,0,0|1,0,2]=4 328 B8R1.3 NC1=NC=C(C=N1)O MCULE-6843895620 [0,0,0,1,0,0|1,0,2]=4 329 B8R1.3 NC1=NC=C(N=C1)O MCULE-7288284365 [0,0,0,1,0,0|2,0,1]=4 330 B8R1.3 NC1=NCC(CN1)O MCULE-3531969759 [0,0,0,1,0,0|1,0,1]=3 331 B8R1.3 NC1=NN=C(C=C1)O MCULE-6431022261 [0,0,0,1,0,0|3,0,0]=4 332 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,0,0|3,0,0]=4 333 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,1,0,0|3,0,0]=4 334 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,0|3,0,0]=4 335 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,0|2,0,1]=4 336 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,0|3,0,0]=4 337 B8R1.3 O=C1N=CC(=CN1)O MCULE-9708220927 [0,0,0,1,0,0|2,0,1]=4 338 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,0|2,0,0]=3 339 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,0|3,0,0]=4 340 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,1,0,0|2,0,1]=4 341 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,1,0,0|2,0,1]=4 342 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,1,0,0|2,0,1]=4 343 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,1,0,0|2,0,1]=4 344 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,1,0,0|2,0,1]=4 345 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,1,0,0|2,0,1]=4 346 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,1,0,0|2,0,1]=4 347 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,1,0,0|2,0,1]=4 348 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,1,0,0|2,0,1]=4 349 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,0|3,0,0]=4 350 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,0|2,0,0]=3 351 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,0|3,0,0]=4 352 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,0|2,0,0]=3 353 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,0|2,0,0]=3 354 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,0|2,0,0]=3 355 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,0|2,0,0]=3 356 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,1,0|3,0,0]=4 357 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,1,0|2,0,0]=3 358 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,1,0|2,0,0]=3 359 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,1,0|2,0,1]=4 360 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,1,0|2,0,1]=4 361 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,1,0|2,0,1]=4 362 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,1,0|1,0,1]=3 363 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,1,0|2,0,1]=4 364 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,1,0|2,0,1]=4 365 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,1,0|2,0,1]=4 366 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,1,0|2,0,1]=4 367 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,1,0|3,0,0]=4 368 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,1,0|2,0,0]=3 369 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,1,0|2,0,0]=3 370 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,1,0|2,0,1]=4 371 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,1,0|2,0,1]=4 372 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,1,0|2,0,1]=4 373 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,1,0|2,0,1]=4 374 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,1,0|2,0,1]=4 375 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,1,0|2,0,1]=4 376 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,0,0,0,1,0|1,0,2]=4 377 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,1,0|2,0,1]=4 378 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,0,0,0,1,0|2,0,1]=4 379 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,1,0|2,0,1]=4 380 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,1,0|2,0,1]=4 381 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,1,0|2,0,1]=4 382 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,1,0|2,0,1]=4 383 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,1,0|2,0,1]=4 384 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,1,0|2,0,1]=4 385 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,1,0|1,0,1]=3 386 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,1,0|1,0,1]=3 387 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,1,0|1,0,1]=3 388 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,1,0|1,0,1]=3 389 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,1,0|2,0,1]=4 390 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,1,0|2,0,1]=4 391 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,1,0|2,0,1]=4 392 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,1,0|3,0,0]=4 393 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,1,0|3,0,0]=4 394 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,1,0|1,0,1]=3 395 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,1,0|1,0,1]=3 396 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,1,0|1,0,1]=3 397 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,1,0|1,0,1]=3 398 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,1,0|2,0,1]=4 399 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,1,0|2,0,1]=4 400 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,1,0|2,0,1]=4 401 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,1,0|2,0,1]=4 402 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,1,0|1,0,1]=3 403 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,1,0|1,0,1]=3 404 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,1,0|1,0,1]=3 405 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,1,0|1,0,1]=3 406 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,1,0|2,0,1]=4 407 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,1,0|2,0,1]=4 408 B6R0.2 N=C(N)CC(=N)N MCULE-4863741442 [0,0,0,0,1,0|2,0,1]=4 409 B6R0.2 N=C(N)CC(=N)N MCULE-8523596922 [0,0,0,0,1,0|2,0,1]=4 410 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,1,0|1,0,1]=3 411 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,0,0,0,1,0|1,0,2]=4 412 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,0,0,0,1,0|1,0,2]=4 413 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,0,0,0,1,0|1,0,2]=4 414 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,0,0,0,1,0|1,0,2]=4 415 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,1,0|1,0,2]=4 416 B6R0.2 NC(=CN(=O)=O)N MCULE-9629386307 [0,0,0,0,1,0|1,0,2]=4 417 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,1,0|2,0,0]=3 418 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,1,0|1,0,0]=2 419 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,1,0|2,0,0]=3 420 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,1,0|2,0,1]=4 421 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,1,0|2,0,1]=4 422 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,1,0|2,0,1]=4 423 B6R0.2 NC(=S)CC(=S)N MCULE-2555051271 [0,0,0,0,1,0|2,1,0]=4 424 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,1,0|1,0,1]=3 425 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,1,0|1,0,1]=3 426 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,1,0|3,0,0]=4 427 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,1,0|2,0,1]=4 428 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,1,0|2,0,1]=4 429 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,1,0|3,0,0]=4 430 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,1,0|2,0,0]=3 431 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,1,0|2,0,1]=4 432 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,1,0|3,0,0]=4 433 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,1,0|2,0,1]=4 434 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,1,0|2,0,1]=4 435 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,0,1|3,0,0]=4 436 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,1|3,0,0]=4 437 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,0,1|3,0,0]=4 438 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,1|3,0,0]=4 439 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,0,1|3,0,0]=4 440 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,1|3,0,0]=4 441 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,0,1|3,0,0]=4 442 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,1|2,0,1]=4 443 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,1|3,0,0]=4 444 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,1|3,0,0]=4 445 B8R0.28 N/C(=N/N=CC(=O)O)/S MCULE-8699765131 [0,0,0,0,0,1|1,0,1]=3 446 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,0,1|0,0,2]=3 447 B8R0.28 N=C(N)S/C=C\C(=O)O MCULE-1708035663 [0,0,0,0,0,1|1,0,2]=4 448 B8R0.28 N=C(N)S/C=C\C(=O)O MCULE-2482978602 [0,0,0,0,0,1|1,0,2]=4 449 B8R0.28 N=C(N)SC=CC(=O)O MCULE-5337300674 [0,0,0,0,0,1|1,0,2]=4 450 B8R0.28 N=C(N)SC=CC(=O)O MCULE-6588794853 [0,0,0,0,0,1|1,0,2]=4 451 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,0,1|1,0,1]=3 452 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,0,1|1,0,1]=3 453 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,0,0,0,1|1,0,2]=4 454 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,0,1|3,0,0]=4 455 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,0,1|2,0,0]=3 456 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,0,0,0,1|2,0,1]=4 457 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,1|1,0,1]=3 458 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,0,1|2,0,0]=3 459 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,0,0,0,1|3,0,0]=4 460 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,0,1|2,0,0]=3 461 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,0,0,0,1|1,0,2]=4 462 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,1|1,0,1]=3 463 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [0,0,0,0,0,1|2,0,1]=4 464 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,0,0,0,1|1,0,1]=3 465 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,0,1|2,0,0]=3 466 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,0,1|3,0,0]=4 467 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,0,1|3,0,0]=4 468 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,0,1|3,0,0]=4 469 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,0,1|2,0,1]=4 470 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,0,1|3,0,0]=4 471 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,0,1|3,0,0]=4 472 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,0,1|3,0,0]=4 473 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,0,1|3,0,0]=4 474 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,0,0,0,0,1|2,0,1]=4 475 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|1,0,1]=4 476 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|1,0,1]=4 477 B5R0.1 C=CCC(=N)N MCULE-6305125234 [2,0,0,0,0,0|1,0,1]=4 478 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [2,0,0,0,0,0|2,0,0]=4 479 B5R0.1 C=CCC(=O)N MCULE-1205335257 [2,0,0,0,0,0|2,0,0]=4 480 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|1,0,0]=3 481 B5R0.1 C=NCC(=O)N MCULE-7609497329 [2,0,0,0,0,0|1,0,0]=3 482 B5R0.1 C=NCC(=S)N MCULE-6261527142 [2,0,0,0,0,0|1,1,0]=4 483 B5R0.1 CC(=CC=O)N MCULE-2659507627 [2,0,0,0,0,0|1,0,1]=4 484 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|1,0,1]=4 485 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|1,0,1]=4 486 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|1,0,1]=4 487 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|1,0,1]=4 488 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [2,0,0,0,0,0|1,0,1]=4 489 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [2,0,0,0,0,0|1,0,1]=4 490 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|0,0,2]=4 491 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|0,0,2]=4 492 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|1,0,1]=4 493 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,1]=4 494 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|0,0,2]=4 495 B5R0.1 N#CN=C(N)N MCULE-3951314719 [2,0,0,0,0,0|1,0,1]=4 496 B5R0.1 N=C(N)CCO MCULE-4567824707 [2,0,0,0,0,0|0,0,2]=4 497 B5R0.1 N=C(N)CCO MCULE-7139693715 [2,0,0,0,0,0|0,0,2]=4 498 B5R0.1 N=C(N)NC=O MCULE-2702198735 [2,0,0,0,0,0|0,0,2]=4 499 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|1,0,1]=4 500 B5R0.1 NC(=O)NCO MCULE-7403641101 [2,0,0,0,0,0|1,0,1]=4 501 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|1,0,1]=4 502 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|1,0,1]=4 503 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|1,0,1]=4 504 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|0,0,1]=3 505 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|0,0,1]=3 506 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|0,0,1]=3 507 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|0,0,2]=4 508 B5R0.1 NCCP(=O)O MCULE-7093964616 [2,0,0,0,0,0|1,0,1]=4 509 B5R0.1 NCCS(=O)O MCULE-4372248641 [2,0,0,0,0,0|1,0,1]=4 510 B5R0.1 NNCC(=O)N MCULE-2794619708 [2,0,0,0,0,0|1,0,1]=4 511 B5R0.1 NNCC(=O)N MCULE-6773156087 [2,0,0,0,0,0|1,0,1]=4 512 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|0,0,1]=3 513 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|0,0,1]=3 514 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|1,0,0]=3 515 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|1,0,0]=3 516 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|1,0,0]=3 517 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [2,0,0,0,0,0|1,0,1]=4 518 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [2,0,0,0,0,0|1,0,1]=4 519 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [2,0,0,0,0,0|1,0,1]=4 520 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [2,0,0,0,0,0|1,0,1]=4 521 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [2,0,0,0,0,0|1,0,1]=4 522 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [2,0,0,0,0,0|1,0,1]=4 523 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [2,0,0,0,0,0|1,0,1]=4 524 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [2,0,0,0,0,0|1,0,1]=4 525 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [2,0,0,0,0,0|1,0,1]=4 526 B5R0.1 O=C(O)C=CI MCULE-7162332129 [2,0,0,0,0,0|1,0,1]=4 527 B5R0.1 O=C(O)C=NO MCULE-2039309679 [2,0,0,0,0,0|1,0,1]=4 528 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,1]=4 529 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,1]=4 530 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,1]=4 531 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,1]=4 532 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|1,0,1]=4 533 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|1,0,1]=4 534 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|1,0,1]=4 535 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|2,0,0]=4 536 B5R0.2 N#N=NCC=O MCULE-8370335984 [2,0,0,0,0,0|1,0,1]=4 537 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|2,0,0]=4 538 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|2,0,0]=4 539 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,1,0,0,0,0|1,0,1]=4 540 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,1,0,0,0,0|2,0,0]=4 541 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [1,1,0,0,0,0|2,0,0]=4 542 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [1,1,0,0,0,0|2,0,0]=4 545 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [1,1,0,0,0,0|2,0,0]=4 546 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [1,1,0,0,0,0|1,0,1]=4 547 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,1,0,0,0,0|1,0,1]=4 549 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [1,1,0,0,0,0|1,0,1]=4 550 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [1,1,0,0,0,0|1,0,1]=4 551 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,1,0,0,0,0|1,0,1]=4 553 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,1,0,0,0,0|1,0,1]=4 554 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,1,0,0,0,0|1,0,1]=4 559 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,1,0,0,0,0|1,0,1]=4 560 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,1,0,0,0,0|1,0,1]=4 561 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,1,0,0,0,0|1,0,1]=4 562 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,1,0,0,0,0|1,0,1]=4 563 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [1,1,0,0,0,0|2,0,0]=4 566 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,1,0,0,0,0|2,0,0]=4 567 B7R0.3 COC(=O)CCCN MCULE-2399653885 [1,1,0,0,0,0|1,0,1]=4 568 B7R0.3 COC(=O)CCCN MCULE-7745643244 [1,1,0,0,0,0|1,0,1]=4 569 B7R0.3 COC(=O)CN=C=O MCULE-4495056254 [1,1,0,0,0,0|1,0,1]=4 570 B7R0.3 COC(=O)CN=C=S MCULE-6944178765 [1,1,0,0,0,0|1,0,1]=4 571 B7R0.3 COC(=O)CN=N#N MCULE-8257278223 [1,1,0,0,0,0|1,0,1]=4 572 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [1,1,0,0,0,0|1,0,1]=4 573 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,1,0,0,0,0|2,0,0]=4 576 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,1,0,0,0,0|1,0,1]=4 577 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,1,0,0,0,0|1,0,1]=4 578 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|2,0,0]=4 582 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,1,0,0,0,0|1,0,1]=4 583 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,1,0,0,0,0|1,0,1]=4 584 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,1,0,0,0,0|1,0,1]=4 585 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,1,0,0,0,0|1,0,1]=4 586 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,1,0,0,0,0|1,0,1]=4 587 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,1,0,0,0,0|1,0,1]=4 588 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,1,0,0,0,0|1,0,1]=4 589 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,1,0,0,0,0|0,0,2]=4 590 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,1,0,0,0,0|0,0,2]=4 591 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,1,0,0,0,0|1,0,1]=4 592 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,1,0,0,0,0|1,0,1]=4 593 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,1,0,0,0,0|1,0,1]=4 594 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,1,0,0,0,0|1,0,1]=4 595 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,1,0,0,0,0|1,0,1]=4 596 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,1,0,0,0,0|1,0,1]=4 597 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,1,0,0,0,0|2,0,0]=4 598 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|2,0,0]=4 599 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,1,0,0,0,0|2,0,0]=4 600 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,1,0,0,0,0|2,0,0]=4 602 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,1,0,0,0,0|2,0,0]=4 603 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,1,0,0,0,0|2,0,0]=4 605 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,1,0,0,0,0|2,0,0]=4 606 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,1,0,0,0,0|2,0,0]=4 607 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,1,0,0,0,0|2,0,0]=4 608 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,1,0,0,0,0|2,0,0]=4 609 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,1,0,0,0,0|2,0,0]=4 610 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,1,0,0,0,0|2,0,0]=4 611 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,1,0,0,0,0|2,0,0]=4 612 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,1,0,0,0,0|2,0,0]=4 613 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,1,0,0,0,0|2,0,0]=4 614 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,1,0,0,0,0|2,0,0]=4 615 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,1,0,0,0,0|1,0,1]=4 616 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,1,0,0,0,0|1,0,1]=4 617 B7R0.5 CC(N=N#N)C(=O)O MCULE-1449528032 [1,1,0,0,0,0|1,0,1]=4 618 B7R0.5 CC(N=N#N)C(=O)O MCULE-6367123914 [1,1,0,0,0,0|1,0,1]=4 619 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,1,0,0,0,0|1,0,1]=4 620 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,1,0,0,0,0|2,0,0]=4 621 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,1,0,0,0,0|2,0,0]=4 622 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-2214426945 [1,1,0,0,0,0|1,0,1]=4 623 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-6124505236 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-3591368470 [1,1,0,0,0,0|1,0,1]=4 625 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-5109353470 [1,1,0,0,0,0|1,0,1]=4 626 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-6277841083 [1,1,0,0,0,0|1,0,1]=4 627 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-7843278634 [1,1,0,0,0,0|1,0,1]=4 628 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,1,0,0,0,0|1,0,1]=4 629 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,1,0,0,0,0|1,0,1]=4 630 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,1,0,0,0,0|1,0,1]=4 631 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,1,0,0,0,0|1,0,1]=4 632 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,1,0,0,0,0|1,0,1]=4 633 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,1,0,0,0,0|1,0,1]=4 634 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,1,0,0,0,0|1,0,1]=4 635 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,1,0,0,0,0|1,0,1]=4 636 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,1,0,0,0,0|1,0,1]=4 637 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,1,0,0,0,0|1,0,1]=4 638 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,1,0,0,0,0|1,0,1]=4 639 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,1,0,0,0,0|1,0,1]=4 640 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,1,0,0,0,0|1,0,1]=4 641 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,1,0,0,0,0|1,0,1]=4 642 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,1,0,0,0,0|1,0,1]=4 643 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,1,0,0,0,0|1,0,1]=4 644 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,1,0,0,0,0|1,0,1]=4 645 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,1,0,0,0,0|1,0,1]=4 646 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,1,0,0,0,0|1,0,1]=4 647 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,1,0,0,0,0|1,0,1]=4 648 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,1,0,0,0,0|1,0,1]=4 649 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,1,0,0,0,0|1,0,1]=4 650 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,1,0,0,0,0|1,0,1]=4 651 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,1,0,0,0,0|1,0,1]=4 652 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,1,0,0,0,0|1,0,1]=4 653 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,1,0,0,0,0|1,0,1]=4 654 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,1,0,0,0,0|1,0,1]=4 655 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,1,0,0,0,0|1,0,1]=4 656 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,1,0,0,0,0|1,0,1]=4 657 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,1,0,0,0,0|2,0,0]=4 658 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,0,0,1,0|1,0,1]=4 659 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,0,0,1,0|1,0,1]=4 660 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,0,0,1,0|1,0,1]=4 661 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,1,0,0,1,0|2,0,0]=4 662 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,1,0|2,0,0]=4 663 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,1,0|2,0,0]=4 664 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,1,0|2,0,0]=4 665 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,1,0|2,0,0]=4 666 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,1,0|2,0,0]=4 667 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,1,0|2,0,0]=4 668 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,1,0|2,0,0]=4 669 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,1,0|2,0,0]=4 670 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,1,0,0,1,0|2,0,0]=4 671 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,1,0|2,0,0]=4 672 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,1,0|2,0,0]=4 673 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,1,0|1,0,1]=4 674 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,1,0|1,0,1]=4 675 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,1,0|1,0,1]=4 676 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,1,0|1,0,1]=4 677 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,1,0|1,0,1]=4 678 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,1,0|1,0,1]=4 679 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,1,0|1,0,1]=4 680 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,1,0|1,0,1]=4 681 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,1,0|1,0,1]=4 682 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,1,0|1,0,1]=4 683 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,1,0|1,0,1]=4 684 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,1,0,0,1,0|2,0,0]=4 685 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,1,0|2,0,0]=4 686 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,1,0|2,0,0]=4 687 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,1,0|2,0,0]=4 688 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,1,0|2,0,0]=4 689 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,1,0|2,0,0]=4 690 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,1,0,0,0,1|2,0,0]=4 691 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [0,1,0,0,0,1|2,0,0]=4 692 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [0,1,0,0,0,1|1,0,1]=4 693 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [0,1,0,0,0,1|2,0,0]=4 694 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [0,1,0,0,0,1|1,0,1]=4 695 B9R0.1 CS/C(=N\N=CC(=O)O)/N MCULE-1736406040 [0,1,0,0,0,1|1,0,1]=4 696 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,1,0,0,0,1|2,0,0]=4 697 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,1,0,0,0,1|2,0,0]=4 698 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [0,1,0,0,0,1|1,0,1]=4 699 B9R0.7 C/C(=N/NC(=O)N)/C(=O)O MCULE-9321060192 [0,1,0,0,0,1|1,0,1]=4 700 B9R0.7 C/C(=N\NC(=O)N)/C(=O)O MCULE-7459723879 [0,1,0,0,0,1|1,0,1]=4 701 B9R0.7 CC(=NN=C(N)N)C(=O)O MCULE-8715560607 [0,1,0,0,0,1|0,0,1]=3 702 B9R0.7 CC(=NNC(=O)N)C(=O)O MCULE-9419629764 [0,1,0,0,0,1|1,0,1]=4 703 B9R0.7 CC(=NNC(=S)N)C(=O)O MCULE-9863705232 [0,1,0,0,0,1|1,0,1]=4 704 B9R0.7 CC(=NOC(C)C(=O)O)C MCULE-2667021953 [0,1,0,0,0,1|2,0,0]=4 705 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,1,0,0,0,1|1,0,1]=4 706 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,1,0,0,0,1|0,0,2]=4 707 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,1,0,0,0,1|0,0,2]=4 708 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,1,0,0,0,1|0,0,2]=4 709 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,1,0,0,0,1|0,0,2]=4 710 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,1,0,0,0,1|0,0,2]=4 711 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,1,0,0,0,1|0,0,2]=4 712 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,1,0,0,0,1|0,0,2]=4 713 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,1,0,0,0,1|0,0,2]=4 714 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,0,0,0,1|2,0,0]=4 715 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,0,0,0,1|2,0,0]=4 716 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,0,0,0,1|2,0,0]=4 717 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,0,0,0,1|2,0,0]=4 718 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,0,0,0,1|2,0,0]=4 719 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,0,0,0,1|2,0,0]=4 720 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,0,0,0,1|2,0,0]=4 721 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,1,0,0,0,1|1,0,1]=4 722 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,1,0,0,0,1|1,0,1]=4 723 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,1,0,0,0,1|1,0,1]=4 724 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,1,0,0,0,1|2,0,0]=4 725 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,1,0,0,0,1|2,0,0]=4 726 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,1,0,0,0,1|2,0,0]=4 727 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,0,0,0,1|2,0,0]=4 728 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,0,0,0,1|2,0,0]=4 729 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,0,0,0,1|2,0,0]=4 730 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,0,0,0,1|2,0,0]=4 731 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,0,0,0,1|2,0,0]=4 732 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,0,0,0,1|2,0,0]=4 733 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,0,0,0,1|2,0,0]=4 734 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,1,0,0,0,1|1,0,1]=4 735 B9R0.23 CN(CC(=O)O)C(=O)CN MCULE-9356220331 [0,2,0,0,0,0|1,0,1]=4 736 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [0,2,0,0,0,0|2,0,0]=4 738 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [0,2,0,0,0,0|2,0,0]=4 739 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [0,2,0,0,0,0|2,0,0]=4 740 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [0,2,0,0,0,0|2,0,0]=4 742 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [0,2,0,0,0,0|2,0,0]=4 743 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [0,2,0,0,0,0|2,0,0]=4 744 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [0,2,0,0,0,0|2,0,0]=4 746 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [0,2,0,0,0,0|2,0,0]=4 747 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [0,2,0,0,0,0|2,0,0]=4 748 B9R0.24 COC(=O)CNC(=O)CN MCULE-8016204677 [0,2,0,0,0,0|1,0,1]=4 749 B9R0.24 COC(=O)CNC(=O)CN MCULE-8572365948 [0,2,0,0,0,0|1,0,1]=4 750 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [0,2,0,0,0,0|1,0,1]=4 751 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,2,0,0,0,0|2,0,0]=4 753 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,2,0,0,0,0|2,0,0]=4 754 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,2,0,0,0,0|2,0,0]=4 755 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,2,0,0,0,0|2,0,0]=4 756 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,2,0,0,0,0|2,0,0]=4 757 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [0,2,0,0,0,0|1,0,1]=4 758 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,2,0,0,0,0|2,0,0]=4 759 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,2,0,0,0,0|2,0,0]=4 761 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [0,2,0,0,0,0|1,0,1]=4 762 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [0,2,0,0,0,0|2,0,0]=4 763 B9R0.48 CCNC(=S)NCC(=O)O MCULE-3996581742 [0,2,0,0,0,0|1,0,1]=4 764 B9R0.48 CCOC(=O)CCC(=N)N MCULE-2941069504 [0,2,0,0,0,0|1,0,1]=4 765 B9R0.48 CCOC(=O)CCC(=O)N MCULE-4243878001 [0,2,0,0,0,0|2,0,0]=4 766 B9R0.48 CCOC(=O)CNC(=O)N MCULE-5545074396 [0,2,0,0,0,0|1,0,1]=4 767 B9R0.48 CCOC(=O)CSC(=N)N MCULE-5750771970 [0,2,0,0,0,0|1,0,1]=4 768 B9R0.48 CCOC(=O)CSC(=N)N MCULE-8209227673 [0,2,0,0,0,0|1,0,1]=4 769 B9R0.48 CCOC(=O)CSC(=N)N MCULE-9311468671 [0,2,0,0,0,0|1,0,1]=4 770 B9R0.48 N#C/C=C(\N)/CCC(=O)O MCULE-9325480359 [0,2,0,0,0,0|1,0,1]=4 771 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [0,2,0,0,0,0|1,0,1]=4 772 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [0,2,0,0,0,0|1,0,1]=4 773 B9R0.11 CC(C)(NC(=O)N)C(=O)O MCULE-3780805662 [0,2,0,0,0,0|1,0,1]=4 774 B9R0.11 CC(F)(NC(=O)N)C(=O)O MCULE-5893224532 [0,2,0,0,0,0|1,0,1]=4 775 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,2,0,0,0,0|2,0,0]=4 776 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,2,0,0,0,0|2,0,0]=4 777 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [0,2,0,0,0,0|1,0,1]=4 778 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,2,0,0,0,0|2,0,0]=4 779 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,2,0,0,0,0|2,0,0]=4 780 B9R0.39 N=C(N)N[C@@H](CS)C(=O)O MCULE-8761842896 [0,2,0,0,0,0|0,0,2]=4 781 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [0,2,0,0,0,0|1,0,1]=4 782 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [0,2,0,0,0,0|1,0,1]=4 783 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [0,2,0,0,0,0|1,0,1]=4 784 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [1,0,0,1,0,0|2,0,0]=4 785 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,0,0,1,0,0|2,0,0]=4 786 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,0,0,1,0,0|2,0,0]=4 787 B7R1.2 CC1=CN=C(N1)N MCULE-5849111364 [1,0,0,1,0,0|1,0,1]=4 788 B7R1.2 CC1=CN=C(N1)N MCULE-9885122590 [1,0,0,1,0,0|1,0,1]=4 789 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [1,0,0,1,0,0|1,0,1]=4 790 B7R1.2 CC1=NN=C(N1)N MCULE-5689037308 [1,0,0,1,0,0|2,0,0]=4 791 B7R1.2 CC1=NN=C(O1)N MCULE-4286573489 [1,0,0,1,0,0|2,0,0]=4 792 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [1,0,0,1,0,0|2,0,0]=4 793 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [1,0,0,1,0,0|1,0,1]=4 794 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [1,0,0,1,0,0|1,0,1]=4 795 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [1,0,0,1,0,0|2,0,0]=4 796 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [1,0,0,1,0,0|2,0,0]=4 797 B7R1.2 NC1=NC(=O)C=N1 MCULE-2020007120 [1,0,0,1,0,0|0,0,2]=4 798 B7R1.2 NC1=NC(=O)C=N1 MCULE-3303233815 [1,0,0,1,0,0|0,0,2]=4 799 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [1,0,0,1,0,0|1,0,1]=4 800 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [1,0,0,1,0,0|1,0,1]=4 801 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [1,0,0,1,0,0|1,0,1]=4 802 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [1,0,0,1,0,0|0,0,0]=2 803 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [1,0,0,1,0,0|0,0,0]=2 804 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [1,0,0,1,0,0|0,1,0]=3 805 B7R1.2 NC1=NN=C(N1)N MCULE-3092785488 [1,0,0,1,0,0|2,0,0]=4 806 B7R1.2 NC1=NN=C(S1)O MCULE-9726286357 [1,0,0,1,0,0|1,1,0]=4 807 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [1,0,0,1,0,0|2,0,0]=4 808 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [1,0,0,1,0,0|1,0,0]=3 809 B7R1.2 NC1=NOC(=N1)O MCULE-4783377241 [1,0,0,1,0,0|1,0,1]=4 810 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [1,0,0,1,0,0|1,0,1]=4 811 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [1,0,0,1,0,0|1,0,1]=4 812 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [1,0,0,1,0,0|1,0,1]=4 813 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [1,0,0,1,0,0|2,0,0]=4 814 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [1,0,0,1,0,0|2,0,0]=4 815 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,0,0,1,0,0|1,0,1]=4 816 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [1,0,0,1,0,0|1,0,1]=4 817 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [1,0,0,1,0,0|1,0,1]=4 818 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [1,0,0,1,0,0|2,0,0]=4 819 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [1,0,0,1,0,0|2,0,0]=4 820 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [1,0,0,1,0,0|2,0,0]=4 821 B7R1.2 O=C1NN=C(N1)Br MCULE-1124720587 [1,0,0,1,0,0|2,0,0]=4 822 B7R1.2 O=C1NN=C(N1)Cl MCULE-5593292847 [1,0,0,1,0,0|2,0,0]=4 823 B7R1.3 NC1=NCCCN1 MCULE-1407334516 [1,0,0,1,0,0|1,0,1]=4 824 B7R1.3 NC1=NCCCN1 MCULE-1674112662 [1,0,0,1,0,0|1,0,1]=4 825 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,0,0,1,0,0|2,0,0]=4 826 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|2,0,0]=4 827 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|1,0,1]=4 828 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|1,0,1]=4 829 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|1,0,1]=4 830 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|1,0,1]=4 831 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|1,0,1]=4 832 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|1,0,1]=4 833 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|1,0,1]=4 834 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|1,0,1]=4 835 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|1,0,1]=4 836 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|1,0,1]=4 837 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|1,0,1]=4 838 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|1,0,1]=4 839 B7R1.20 NC(=NC1CC1)N MCULE-4635451272 [1,0,0,1,0,0|1,0,1]=4 840 B9R1.35 CC(=O)C1=CN=C(N1)N MCULE-4678587309 [0,0,0,1,0,1|1,0,1]=4 841 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [0,0,0,1,0,1|2,0,0]=4 842 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [0,0,0,1,0,1|2,0,0]=4 843 B9R1.35 NC1=CC(=NN1)C(=O)O MCULE-9614770025 [0,0,0,1,0,1|1,0,1]=4 844 B9R1.35 NC1=CC=C(N1)C(=O)O MCULE-5208029782 [0,0,0,1,0,1|1,0,1]=4 845 B9R1.35 NC1=CN=C(S1)C(=O)O MCULE-3559963123 [0,0,0,1,0,1|1,0,1]=4 846 B9R1.35 NC1=CN=C(S1)C(=O)O MCULE-6535850000 [0,0,0,1,0,1|1,0,1]=4 847 B9R1.35 NC1=NC(CS1)C(=O)O MCULE-3669823666 [0,0,0,1,0,1|1,0,1]=4 848 B9R1.35 NC1=NC=C(O1)C(=O)O MCULE-9746785354 [0,0,0,1,0,1|1,0,1]=4 849 B9R1.35 NC1=NC=C(S1)C(=O)O MCULE-7626123830 [0,0,0,1,0,1|1,0,1]=4 850 B9R1.35 NC1=NN=C(O1)C(=O)O MCULE-6520978340 [0,0,0,1,0,1|1,0,1]=4 851 B9R1.35 NC1=NN=C(S1)C(=O)O MCULE-9742352474 [0,0,0,1,0,1|1,0,1]=4 852 B9R1.35 NC1=NNC(=C1)C(=O)O MCULE-3685279381 [0,0,0,1,0,1|1,0,1]=4 853 B9R1.35 NC1=NNC(N1)C(=O)O MCULE-8622860614 [0,0,0,1,0,1|0,0,0]=2 854 B9R1.35 NC1=NOC(=C1)C(=O)O MCULE-6813059933 [0,0,0,1,0,1|1,0,1]=4 855 B9R1.35 NC1=N[C@@H](CS1)C(=O)O MCULE-6192179870 [0,0,0,1,0,1|1,0,1]=4 856 B9R1.35 NC1=N[C@H](CS1)C(=O)O MCULE-7308504151 [0,0,0,1,0,1|1,0,1]=4 857 B9R1.35 O=C(O)C1=CN=C(N1)Br MCULE-4474261991 [0,0,0,1,0,1|1,0,1]=4 858 B9R1.35 O=C(O)C1=CN=C(N1)Cl MCULE-4622360113 [0,0,0,1,0,1|1,0,1]=4 859 B9R1.35 O=C(O)C1CC(=NO1)Br MCULE-8217813426 [0,0,0,1,0,1|2,0,0]=4 860 B9R1.35 O=C(O)C1CSC(=S)N1 MCULE-1769481962 [0,0,0,1,0,1|2,0,0]=4 861 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-3331947152 [0,0,0,1,0,1|2,0,0]=4 862 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-7575485678 [0,0,0,1,0,1|2,0,0]=4 863 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,1|2,0,0]=4 864 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,1|2,0,0]=4 865 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,1|2,0,0]=4 866 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,1|2,0,0]=4 867 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,1|2,0,0]=4 868 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,1|2,0,0]=4 869 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,1|2,0,0]=4 870 B9R1.35 O=C1NC(=NO1)C(=O)O MCULE-5897124585 [0,0,0,1,0,1|1,0,1]=4 871 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,1|2,0,0]=4 872 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,1,0,1|2,0,0]=4 873 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,1,0,1|1,0,1]=4 874 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,1,0,1|1,0,1]=4 875 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,1,0,1|1,0,1]=4 876 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,1,0,1|1,0,1]=4 877 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,1,0,1|1,0,1]=4 878 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,1|2,0,0]=4 879 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,1|2,0,0]=4 880 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,1,0,1|2,0,0]=4 881 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,1,0,1|2,0,0]=4 882 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,1|2,0,0]=4 883 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,1|2,0,0]=4 884 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,1,0,1|2,0,0]=4 885 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,0,0,1,0,1|2,0,0]=4 886 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,0,0,1,0,1|2,0,0]=4 887 B9R1.69 NC1=CN=C(NC1=O)N MCULE-2464173889 [0,1,0,1,0,0|1,0,1]=4 888 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,2,0|2,0,0]=4 889 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,2,0|2,0,0]=4 890 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,2,0|2,0,0]=4 891 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,2,0|2,0,0]=4 892 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,2,0|2,0,0]=4 893 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,2,0|2,0,0]=4 894 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,0,0,0,2,0|2,0,0]=4 895 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,2,0|1,0,1]=4 896 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,2,0|1,0,1]=4 897 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,2,0|1,0,1]=4 898 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,2,0|1,0,1]=4 899 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,2,0|1,0,1]=4 900 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,2,0|1,0,1]=4 901 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,2,0|1,0,1]=4 902 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,2,0|1,0,1]=4 903 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,2,0|1,0,1]=4 904 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,2,0|1,0,1]=4 905 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,0,0,0,2,0|1,0,1]=4 906 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,2,0|2,0,0]=4 907 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,2,0|1,0,0]=3 908 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,2,0|1,0,1]=4 909 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,2,0|1,0,1]=4 910 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,2,0|1,0,1]=4 911 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,2,0|2,0,0]=4 912 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,2,0|2,0,0]=4 913 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,2,0|2,0,0]=4 914 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,2,0|2,0,0]=4 915 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,2,0|2,0,0]=4 916 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,2,0|2,0,0]=4 917 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,2,0|2,0,0]=4 918 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,2,0|2,0,0]=4 919 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,2,0|2,0,0]=4 920 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,2,0|2,0,0]=4 921 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,2,0|2,0,0]=4 922 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,0,0,0,0,2|0,0,2]=4 923 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,0,0,0,0,2|2,0,0]=4 924 B9R0.55 NC(=O)CCCN=C(N)N MCULE-3216497199 [0,0,0,0,0,2|1,0,0]=3 925 B9R0.55 NC(=O)CCCN=C(N)N MCULE-6570668893 [0,0,0,0,0,2|1,0,0]=3 926 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,0,0,0,0,2|2,0,0]=4 927 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,0,0,0,0,2|1,0,1]=4