0 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,0,0,0,0,0|3,0,0]=3 17 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,0,0,0,0,0|3,0,0]=3 18 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.7 CC(=O)SCC(C)C(=O)N MCULE-5520753765 [0,0,0,0,0,0|3,0,0]=3 21 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,0,0,0,0,0|3,0,0]=3 27 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,0,0,0,0,0|3,0,0]=3 28 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,0,0,0,0,0|2,0,0]=2 38 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,0,0,0,0,0|2,0,0]=2 39 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-5148332124 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-6459126538 [0,0,0,0,0,0|4,0,0]=4 41 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,0,0,0,0,0|3,0,0]=3 43 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,0,0,0,0,0|3,0,0]=3 44 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,0,0,0,0,0|3,0,0]=3 45 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,0,0,0,0,0|4,0,0]=4 47 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,0,0,0,0,0|4,0,0]=4 48 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,0,0,0,0,0|3,0,0]=3 49 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,0,0,0,0,0|3,0,0]=3 50 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,0,0,0,0,0|3,0,0]=3 51 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,0,0,0,0,0|3,0,0]=3 52 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,0,0,0,0,0|3,0,0]=3 53 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,0,0,0,0,0|3,0,0]=3 54 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,0,0,0,0,0|2,0,0]=2 55 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,0,0,0,0,0|2,0,0]=2 56 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,0,0,0,0,0|2,0,0]=2 57 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,0,0,0,0,0|3,0,0]=3 59 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,0,0,0,0,0|3,0,0]=3 60 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,0,0,0,0,0|4,0,0]=4 61 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,0,0,0,0,0|4,0,0]=4 62 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,0,0,0,0,0|4,0,0]=4 63 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,0,0,0,0,0|4,0,0]=4 64 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,0,0,0,0,0|4,0,0]=4 65 B9R0.7 C[S+](C)CCC(N)C(=O)[O-] MCULE-6795236117 [0,0,0,0,0,0|4,0,0]=4 66 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,0,0,0,0,0|4,0,0]=4 67 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,0,0,0,0,0|4,0,0]=4 68 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,0,0,0,0,0|4,0,0]=4 69 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,0,0,0,0,0|4,0,0]=4 71 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,0,0,0,0,0|4,0,0]=4 72 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,0,0,0,0,0|4,0,0]=4 73 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,0,0,0,0,0|4,0,0]=4 74 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,0,0,0,0,0|4,0,0]=4 76 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,0,0,0,0,0|4,0,0]=4 77 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,0,0,0,0,0|4,0,0]=4 78 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,0,0,0,0,0|4,0,0]=4 79 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,0,0,0,0,0|4,0,0]=4 80 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,0,0,0,0,0|4,0,0]=4 81 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,0,0,0,0,0|4,0,0]=4 82 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,0,0,0,0,0|4,0,0]=4 83 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,0,0,0,0,0|0,0,0]=0 84 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,0,0,0,0,0|0,0,0]=0 85 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,0,0,0,0,0|2,0,0]=2 86 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,0,0,0,0,0|1,0,0]=1 87 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,0,0,0,0,0|1,0,0]=1 88 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,0,0,0,0,0|1,0,0]=1 89 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,0,0,0,0,0|1,0,0]=1 90 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,0,0,0,0,0|2,0,0]=2 91 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,0,0,0,0,0|2,0,0]=2 92 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,0,0,0,0,0|1,0,0]=1 93 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,0,0,0,0,0|1,0,0]=1 94 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,0,0,0,0,0|1,0,0]=1 95 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,0,0,0,0,0|1,0,0]=1 96 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,0,0,0,0,0|2,0,0]=2 97 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,0,0,0,0,0|2,0,0]=2 98 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,0,0,0,0,0|3,0,0]=3 99 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,0,0,0,0,0|3,0,0]=3 100 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,0,0,0,0,0|3,0,0]=3 101 B9R0.7 NC(=O)NC[C@H]([NH3+])C(=O)[O-] MCULE-2674726108 [0,0,0,0,0,0|3,0,1]=4 102 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,0,0,0,0,0|3,0,0]=3 103 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,0,0,0,0,0|3,0,0]=3 104 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,0,0,0,0,0|3,0,0]=3 105 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,0,0,0,0,0|0,0,0]=0 106 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,0,0,0,0,0|0,0,0]=0 107 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,0,0,0,0,0|0,0,0]=0 108 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,0,0,0,0,0|0,0,0]=0 109 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,0,0,0,0,0|0,0,0]=0 110 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,0,0,0,0,0|0,0,0]=0 111 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,0,0|1,0,0]=1 112 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,0,0|1,0,0]=1 113 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,0,0|1,0,0]=1 114 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,0,0,0,0,0|1,0,1]=2 115 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,0,0|1,0,0]=1 116 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,0,0|1,0,0]=1 117 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,0,0|1,0,0]=1 118 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,0,0|1,0,0]=1 119 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,0,0|1,0,0]=1 120 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,0,0,0,0,0|1,0,0]=1 121 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,0,0,0,0,0|1,0,2]=3 122 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,0,0,0,0,0|1,0,1]=2 123 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,0,0,0,0,0|1,0,1]=2 124 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,0,0|1,0,0]=1 125 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,0,0|1,0,0]=1 126 B9R0.7 O=C(O)CCC(=C(F)F)F MCULE-4570016016 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,0,0,0,0,0|2,0,1]=3 128 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,0,0,0,0,0|2,0,1]=3 129 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,0,0,0,0,0|2,0,0]=2 130 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,0,0,0,0,0|2,0,0]=2 131 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,0,0,0,0,0|2,0,0]=2 132 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,0,0,0,0,0|2,0,0]=2 133 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,0,0,0,0,0|2,0,0]=2 134 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,0,0,0,0,0|2,0,0]=2 135 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,0,0,0,0,0|2,0,0]=2 136 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,0,0,0,0,0|2,0,0]=2 137 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,0,0,0,0,0|3,0,1]=4 138 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,0,0,0,0,0|2,0,2]=4 139 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-2857630880 [0,0,0,0,0,0|2,0,2]=4 140 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-7607570800 [0,0,0,0,0,0|2,0,2]=4 141 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,0,0,0,0,0|2,0,1]=3 142 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,0,0,0,0,0|2,0,1]=3 143 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,0,0,0,0,0|2,0,1]=3 144 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,0,0,0,0,0|2,0,1]=3 145 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,0,0,0,0,0|2,0,1]=3 146 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,0,0,0,0,0|2,0,1]=3 147 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,0,0,0,0,0|2,0,1]=3 148 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,0,0,0,0,0|2,0,0]=2 149 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,0,0,0,0,0|0,0,0]=0 150 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,0,0|1,0,0]=1 151 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,0,0,0,0,0|3,0,0]=3 152 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,0,0,0,0,0|2,0,0]=2 153 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [0,0,0,0,0,0|1,0,2]=3 154 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [1,0,0,0,0,0|2,0,1]=4 155 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [1,0,0,0,0,0|2,0,1]=4 156 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [1,0,0,0,0,0|2,0,1]=4 157 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [1,0,0,0,0,0|2,0,1]=4 158 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [1,0,0,0,0,0|2,0,1]=4 159 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [1,0,0,0,0,0|2,0,1]=4 160 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [1,0,0,0,0,0|2,0,1]=4 161 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [1,0,0,0,0,0|1,0,1]=3 162 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [1,0,0,0,0,0|1,0,1]=3 163 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [1,0,0,0,0,0|2,0,0]=3 164 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [1,0,0,0,0,0|1,0,0]=2 166 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [1,0,0,0,0,0|1,0,0]=2 167 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [1,0,0,0,0,0|2,0,0]=3 168 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [1,0,0,0,0,0|2,0,0]=3 169 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [1,0,0,0,0,0|2,0,0]=3 170 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [1,0,0,0,0,0|2,0,0]=3 171 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [1,0,0,0,0,0|2,0,0]=3 172 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [1,0,0,0,0,0|2,0,0]=3 173 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [1,0,0,0,0,0|2,0,0]=3 174 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [1,0,0,0,0,0|2,0,0]=3 175 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [1,0,0,0,0,0|2,0,1]=4 176 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [1,0,0,0,0,0|2,0,1]=4 177 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [1,0,0,0,0,0|2,0,1]=4 178 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [1,0,0,0,0,0|2,0,1]=4 179 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [1,0,0,0,0,0|2,0,1]=4 181 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [1,0,0,0,0,0|2,0,1]=4 182 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [1,0,0,0,0,0|2,0,1]=4 183 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [1,0,0,0,0,0|1,0,1]=3 184 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [1,0,0,0,0,0|1,0,1]=3 185 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [1,0,0,0,0,0|1,0,1]=3 186 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [1,0,0,0,0,0|1,0,1]=3 187 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [1,0,0,0,0,0|2,0,1]=4 188 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [1,0,0,0,0,0|2,0,0]=3 190 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [1,0,0,0,0,0|2,0,0]=3 191 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [1,0,0,0,0,0|3,0,0]=4 193 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [1,0,0,0,0,0|2,0,0]=3 195 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [1,0,0,0,0,0|2,0,0]=3 196 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [1,0,0,0,0,0|2,0,0]=3 197 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [1,0,0,0,0,0|2,0,0]=3 198 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [1,0,0,0,0,0|3,0,0]=4 199 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [1,0,0,0,0,0|3,0,0]=4 200 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [1,0,0,0,0,0|3,0,0]=4 202 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [1,0,0,0,0,0|2,0,0]=3 205 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [1,0,0,0,0,0|2,0,0]=3 206 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [1,0,0,0,0,0|2,0,0]=3 207 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [1,0,0,0,0,0|2,0,0]=3 208 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [1,0,0,0,0,0|3,0,0]=4 209 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [1,0,0,0,0,0|3,0,0]=4 210 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [1,0,0,0,0,0|3,0,0]=4 211 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [1,0,0,0,0,0|3,0,0]=4 214 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [1,0,0,0,0,0|1,0,1]=3 215 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [1,0,0,0,0,0|2,0,1]=4 216 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [1,0,0,0,0,0|2,0,1]=4 217 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [1,0,0,0,0,0|2,0,1]=4 218 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [1,0,0,0,0,0|2,0,1]=4 224 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [1,0,0,0,0,0|2,0,1]=4 225 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [1,0,0,0,0,0|2,0,1]=4 226 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [1,0,0,0,0,0|2,0,1]=4 227 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [1,0,0,0,0,0|2,0,1]=4 228 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [1,0,0,0,0,0|2,0,1]=4 229 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [1,0,0,0,0,0|2,0,1]=4 230 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [1,0,0,0,0,0|2,0,1]=4 231 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [1,0,0,0,0,0|3,0,0]=4 232 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [1,0,0,0,0,0|3,0,0]=4 233 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [1,0,0,0,0,0|3,0,0]=4 234 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [1,0,0,0,0,0|3,0,0]=4 235 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [1,0,0,0,0,0|1,0,1]=3 236 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [1,0,0,0,0,0|1,0,1]=3 237 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [1,0,0,0,0,0|2,0,1]=4 238 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [1,0,0,0,0,0|2,0,1]=4 239 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [1,0,0,0,0,0|2,0,0]=3 240 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [1,0,0,0,0,0|3,0,0]=4 241 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [1,0,0,0,0,0|1,0,0]=2 242 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [1,0,0,0,0,0|1,0,0]=2 243 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [1,0,0,0,0,0|1,0,0]=2 244 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [1,0,0,0,0,0|1,0,0]=2 245 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [1,0,0,0,0,0|1,0,0]=2 246 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [1,0,0,0,0,0|1,0,2]=4 247 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [1,0,0,0,0,0|2,0,1]=4 248 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [1,0,0,0,0,0|1,0,1]=3 249 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [1,0,0,0,0,0|1,0,1]=3 250 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [1,0,0,0,0,0|2,0,1]=4 251 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [1,0,0,0,0,0|3,0,0]=4 252 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [1,0,0,0,0,0|3,0,0]=4 253 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [1,0,0,0,0,0|1,0,2]=4 254 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [1,0,0,0,0,0|1,0,2]=4 255 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [1,0,0,0,0,0|1,0,2]=4 256 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [1,0,0,0,0,0|0,0,1]=2 257 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [1,0,0,0,0,0|0,0,1]=2 258 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [1,0,0,0,0,0|0,0,1]=2 259 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [1,0,0,0,0,0|2,0,1]=4 260 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [1,0,0,0,0,0|2,0,1]=4 261 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [1,0,0,0,0,0|0,0,2]=3 262 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [1,0,0,0,0,0|0,0,2]=3 263 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [1,0,0,0,0,0|2,0,0]=3 264 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [1,0,0,0,0,0|2,0,0]=3 265 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [1,0,0,0,0,0|2,0,0]=3 266 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [1,0,0,0,0,0|2,0,1]=4 267 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [1,0,0,0,0,0|1,0,2]=4 268 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [1,0,0,0,0,0|2,0,0]=3 269 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [1,0,0,0,0,0|1,0,0]=2 270 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [1,0,0,0,0,0|1,0,0]=2 271 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [1,0,0,0,0,0|3,0,0]=4 273 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [1,0,0,0,0,0|2,0,0]=3 274 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [1,0,0,0,0,0|2,0,0]=3 275 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [1,0,0,0,0,0|2,0,0]=3 276 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [1,0,0,0,0,0|3,0,0]=4 277 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [1,0,0,0,0,0|2,0,0]=3 278 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [1,0,0,0,0,0|2,0,1]=4 279 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,0,0,0,0,0|1,0,2]=4 280 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [1,0,0,0,0,0|2,0,1]=4 281 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [1,0,0,0,0,0|3,0,0]=4 282 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [1,0,0,0,0,0|3,0,0]=4 283 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [1,0,0,0,0,0|2,0,0]=3 284 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [1,0,0,0,0,0|2,0,0]=3 285 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [1,0,0,0,0,0|2,0,0]=3 286 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [1,0,0,0,0,0|1,1,1]=4 287 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [1,0,0,0,0,0|1,0,0]=2 288 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [1,0,0,0,0,0|0,0,0]=1 289 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [1,0,0,0,0,0|1,0,1]=3 290 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [1,0,0,0,0,0|2,0,0]=3 291 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [1,0,0,0,0,0|1,0,0]=2 292 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [1,0,0,0,0,0|1,0,0]=2 293 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [1,0,0,0,0,0|2,0,0]=3 294 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [1,0,0,0,0,0|1,0,0]=2 295 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [1,0,0,0,0,0|1,0,2]=4 296 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [1,0,0,0,0,0|1,0,0]=2 297 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [1,0,0,0,0,0|3,0,0]=4 298 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [1,0,0,0,0,0|2,0,1]=4 299 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [1,0,0,0,0,0|1,1,0]=3 300 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [1,0,0,0,0,0|2,0,0]=3 301 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [1,0,0,0,0,0|3,0,0]=4 302 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [1,0,0,0,0,0|1,0,2]=4 303 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [1,0,0,0,0,0|1,0,2]=4 304 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [1,0,0,0,0,0|1,0,0]=2 305 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [1,0,0,0,0,0|2,0,0]=3 307 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [1,0,0,0,0,0|2,0,0]=3 308 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [1,0,0,0,0,0|2,0,0]=3 309 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [1,0,0,0,0,0|2,0,0]=3 310 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [1,0,0,0,0,0|1,0,1]=3 311 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [1,0,0,0,0,0|2,0,1]=4 312 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [1,0,0,0,0,0|2,0,0]=3 313 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [1,0,0,0,0,0|2,0,0]=3 314 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [1,0,0,0,0,0|2,0,0]=3 315 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,1,0,0,0,0|2,0,0]=3 316 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-2960070749 [0,1,0,0,0,0|3,0,0]=4 317 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-7223559986 [0,1,0,0,0,0|3,0,0]=4 318 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-3196057448 [0,1,0,0,0,0|3,0,0]=4 319 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-4987228190 [0,1,0,0,0,0|3,0,0]=4 320 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-8785750681 [0,1,0,0,0,0|3,0,0]=4 321 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-9094583167 [0,1,0,0,0,0|3,0,0]=4 322 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,1,0,0,0,0|1,0,0]=2 323 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,1,0,0,0,0|1,0,0]=2 324 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,1,0,0,0,0|1,0,0]=2 325 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,1,0,0,0,0|1,0,0]=2 326 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,1,0,0,0,0|1,0,0]=2 327 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,1,0,0,0,0|1,0,0]=2 328 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,1,0,0,0,0|2,0,0]=3 329 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,1,0,0,0,0|2,0,0]=3 330 B10R0.43 CC(=O)C(C)(C)CCC(=O)O MCULE-2019736202 [0,1,0,0,0,0|2,0,0]=3 331 B10R0.43 CC(=O)CCC(C)(C)C(=O)O MCULE-7949244890 [0,1,0,0,0,0|3,0,0]=4 332 B10R0.43 CC(C)(CCC(=O)O)C(=O)O MCULE-3722680536 [0,1,0,0,0,0|2,0,0]=3 333 B10R0.43 CC(C)(CCC(=O)O)N(=O)=O MCULE-3681024480 [0,1,0,0,0,0|3,0,0]=4 334 B10R0.43 CC(C)(SCC(=O)O)C(=O)O MCULE-9761119610 [0,1,0,0,0,0|3,0,0]=4 335 B10R0.43 CC(C)CCC(C)(N)C(=O)N MCULE-8584816462 [0,1,0,0,0,0|2,0,1]=4 336 B10R0.43 CC(N)(CCC(=O)O)C(=O)O MCULE-3734637690 [0,1,0,0,0,0|1,0,0]=2 337 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O MCULE-5201150112 [0,1,0,0,0,0|1,0,0]=2 338 B10R0.43 O=C(O)CCC(F)(F)C(=O)O MCULE-3909124499 [0,1,0,0,0,0|2,0,0]=3 339 B10R0.57 C(N)(CCC(=O)O)C(=O)OC MCULE-6082605624 [0,1,0,0,0,0|1,0,0]=2 340 B10R0.57 CC[C@@H](C)[C@H](N)CCC(=O)O MCULE-6163799872 [0,1,0,0,0,0|2,0,1]=4 341 B10R0.57 CC[C@@H](C)[C@H](N)CCC(=O)O MCULE-8974084013 [0,1,0,0,0,0|2,0,1]=4 342 B10R0.57 CNC(=O)[C@@H](N)CCC(C)C MCULE-7741553597 [0,1,0,0,0,0|2,0,1]=4 343 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-3871381696 [0,1,0,0,0,0|2,0,0]=3 344 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-6424537354 [0,1,0,0,0,0|2,0,0]=3 345 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-3294558028 [0,1,0,0,0,0|1,0,0]=2 346 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-4645787805 [0,1,0,0,0,0|1,0,0]=2 347 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-8573479107 [0,1,0,0,0,0|1,0,0]=2 348 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-2647128583 [0,1,0,0,0,0|2,0,0]=3 349 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-3301910394 [0,1,0,0,0,0|2,0,0]=3 350 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-6377888321 [0,1,0,0,0,0|2,0,0]=3 351 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-8642069122 [0,1,0,0,0,0|2,0,0]=3 352 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3694424519 [0,1,0,0,0,0|1,0,0]=2 353 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3908913342 [0,1,0,0,0,0|1,0,0]=2 354 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-3332396919 [0,1,0,0,0,0|2,0,0]=3 355 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-4801234666 [0,1,0,0,0,0|2,0,0]=3 356 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-5791932848 [0,1,0,0,0,0|2,0,0]=3 357 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-7827323262 [0,1,0,0,0,0|2,0,0]=3 358 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-4899971591 [0,1,0,0,0,0|1,0,0]=2 359 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-5340713177 [0,1,0,0,0,0|1,0,0]=2 360 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-6573369964 [0,1,0,0,0,0|1,0,0]=2 361 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-9402335659 [0,1,0,0,0,0|1,0,0]=2 362 B10R0.57 NCC(=O)C(N)CCC(=O)O MCULE-6909697909 [0,1,0,0,0,0|0,0,0]=1 363 B10R0.82 CNC(=O)CCC(N)C(=O)O MCULE-2815144960 [0,1,0,0,0,0|2,0,0]=3 364 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-2008488408 [0,1,0,0,0,0|0,0,0]=1 365 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-4056733947 [0,1,0,0,0,0|0,0,0]=1 366 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1417445261 [0,1,0,0,0,0|1,0,0]=2 367 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1495018790 [0,1,0,0,0,0|1,0,0]=2 368 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-3233905582 [0,1,0,0,0,0|1,0,0]=2 369 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-4870656159 [0,1,0,0,0,0|1,0,0]=2 370 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-4563541396 [0,1,0,0,0,0|0,0,0]=1 371 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5542631622 [0,1,0,0,0,0|0,0,0]=1 372 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5671338567 [0,1,0,0,0,0|0,0,0]=1 373 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-7766792787 [0,1,0,0,0,0|0,0,0]=1 374 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-1607830290 [0,1,0,0,0,0|1,0,0]=2 375 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7380350089 [0,1,0,0,0,0|1,0,0]=2 376 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7654158848 [0,1,0,0,0,0|1,0,0]=2 377 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-8680968839 [0,1,0,0,0,0|1,0,0]=2 378 B10R0.82 NC(CCC(=O)NO)C(=O)O MCULE-9353366308 [0,1,0,0,0,0|1,0,0]=2 379 B10R0.82 NC(CCP(=O)CO)C(=O)O MCULE-2901685887 [0,1,0,0,0,0|2,0,0]=3 380 B10R0.82 NC(CCP(=O)CO)C(=O)[O-] MCULE-4812114882 [0,1,0,0,0,0|2,0,0]=3 381 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6064290143 [0,1,0,0,0,0|2,0,1]=4 382 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6546706417 [0,1,0,0,0,0|2,0,1]=4 383 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-4925093695 [0,1,0,0,0,0|2,0,1]=4 384 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-7103430731 [0,1,0,0,0,0|2,0,1]=4 385 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-1390178110 [0,1,0,0,0,0|2,0,1]=4 386 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-7788161688 [0,1,0,0,0,0|2,0,1]=4 387 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,1,0,0,0,0|3,0,0]=4 388 B10R0.84 CCC(CCC(=O)Cl)C(=O)Cl MCULE-9973212610 [0,1,0,0,0,0|3,0,0]=4 389 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [0,1,0,0,0,0|1,0,0]=2 390 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [0,1,0,0,0,0|1,0,0]=2 391 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [0,1,0,0,0,0|2,0,0]=3 392 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [0,1,0,0,0,0|1,0,0]=2 393 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [0,1,0,0,0,0|1,0,0]=2 394 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [0,1,0,0,0,0|2,0,0]=3 395 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [0,1,0,0,0,0|1,0,0]=2 396 B10R0.84 NN=C(CCC(=O)O)C(=O)O MCULE-4661582416 [0,1,0,0,0,0|1,0,1]=3 397 B10R0.92 CC(C)(C)CCC(N)C(=O)N MCULE-1396813261 [0,1,0,0,0,0|2,0,1]=4 398 B10R0.92 CC(C)(C)CCC(N)C(=O)N MCULE-2019136789 [0,1,0,0,0,0|2,0,1]=4 399 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,1,0,0,0,0|2,0,0]=3 400 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,1,0,0,0,0|2,0,0]=3 401 B10R0.92 CP(=O)([O-])CCC(N)C(=O)[O-] MCULE-3285075792 [0,1,0,0,0,0|2,0,1]=4 402 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2268954465 [0,1,0,0,0,0|3,0,0]=4 403 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2804558075 [0,1,0,0,0,0|3,0,0]=4 404 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-7485004955 [0,1,0,0,0,0|3,0,0]=4 405 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(=O)O MCULE-3997574746 [0,1,0,0,0,0|3,0,0]=4 406 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-1068341907 [0,1,0,0,0,0|3,0,0]=4 407 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-3093123817 [0,1,0,0,0,0|3,0,0]=4 408 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N MCULE-2040686966 [0,1,0,0,0,0|1,0,1]=3 409 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N MCULE-6821893612 [0,1,0,0,0,0|1,0,1]=3 410 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MCULE-8107053430 [0,1,0,0,0,0|2,0,1]=4 411 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-1126326759 [0,1,0,0,0,0|2,0,1]=4 412 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-3558725435 [0,1,0,0,0,0|2,0,1]=4 413 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-2269540933 [0,1,0,0,0,0|2,0,1]=4 414 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-4203364916 [0,1,0,0,0,0|2,0,1]=4 415 B10R0.92 NC(=O)C(N)CCC(F)(F)F MCULE-1933292877 [0,1,0,0,0,0|2,0,1]=4 416 B10R0.92 NC(=O)C(N)CCC(F)(F)F MCULE-6105448950 [0,1,0,0,0,0|2,0,1]=4 417 B10R0.92 NC(=O)C(N)CCC(F)(F)F MCULE-8287327698 [0,1,0,0,0,0|2,0,1]=4 418 B10R0.92 NC(=O)C(N)CCC(F)(F)F MCULE-8376186987 [0,1,0,0,0,0|2,0,1]=4 419 B10R0.92 NC(=O)[C@H](N)CCC(F)(F)F MCULE-2502695195 [0,1,0,0,0,0|2,0,1]=4 420 B10R0.92 NC(=O)[C@H](N)CCC(F)(F)F MCULE-2562862608 [0,1,0,0,0,0|2,0,1]=4 421 B10R0.92 NC(=O)[C@H](N)CCC(F)(F)F MCULE-3245569946 [0,1,0,0,0,0|2,0,1]=4 422 B10R0.92 NC(=O)[C@H](N)CCC(F)(F)F MCULE-6158419745 [0,1,0,0,0,0|2,0,1]=4 423 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,1,0,0,0,0|2,0,0]=3 424 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,1,0,0,0,0|2,0,0]=3 425 B10R0.92 NC(COP(=O)(O)O)C(=O)O MCULE-1695816394 [0,1,0,0,0,0|3,0,0]=4 426 B10R0.92 NC(COS(=O)(=O)O)C(=O)O MCULE-5049646882 [0,1,0,0,0,0|3,0,0]=4 427 B10R0.92 NC(CSS(=O)(=O)O)C(=O)[O-] MCULE-4046079265 [0,1,0,0,0,0|3,0,0]=4 428 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,1,0,0,0,0|2,0,0]=3 429 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,1,0,0,0,0|2,0,0]=3 430 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,1,0,0,0,0|2,0,0]=3 431 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-3199737084 [0,1,0,0,0,0|3,0,0]=4 432 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-4907212979 [0,1,0,0,0,0|3,0,0]=4 433 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-3746813647 [0,1,0,0,0,0|3,0,0]=4 434 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-9474608832 [0,1,0,0,0,0|3,0,0]=4 435 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O MCULE-5127296011 [0,1,0,0,0,0|3,0,0]=4 436 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-1017024868 [0,1,0,0,0,0|3,0,0]=4 437 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-7847954389 [0,1,0,0,0,0|3,0,0]=4 438 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,1,0,0,0,0|2,0,0]=3 439 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,1,0,0,0,0|2,0,0]=3 440 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-4002733556 [0,1,0,0,0,0|3,0,0]=4 441 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-5554704102 [0,1,0,0,0,0|3,0,0]=4 442 B10R0.92 [C@H](N)(CSS(=O)(=O)O)C(=O)O MCULE-9668444815 [0,1,0,0,0,0|3,0,0]=4 443 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,1,0,0,0,0|2,0,0]=3 444 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,1,0,0,0,0|1,0,0]=2 445 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O MCULE-6318508526 [0,1,0,0,0,0|3,0,0]=4 446 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,1,0,0,0,0|1,0,0]=2 447 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,1,0,0,0,0|1,0,0]=2 448 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,1,0,0,0,0|1,0,0]=2 449 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,1,0,0,0,0|1,0,0]=2 450 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,1,0,0,0,0|1,0,0]=2 451 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,1,0,0,0,0|1,0,0]=2 452 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,1,0,0,0,0|1,0,0]=2 453 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,1,0,0,0,0|1,0,0]=2 454 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,1,0,0,0,0|1,0,0]=2 455 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,1,0,0,0,0|1,0,0]=2 456 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,1,0,0,0,0|1,0,0]=2 457 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,1,0,0,0,0|1,0,0]=2 458 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,1,0,0,0,0|1,0,0]=2 459 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,1,0,0,0,0|1,0,0]=2 460 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,1,0,0,0,0|1,0,0]=2 461 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,1,0,0,0,0|1,0,0]=2 462 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,1,0,0,0,0|1,0,0]=2 463 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,1,0,0,0,0|1,0,0]=2 464 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,1,0,0,0,0|1,0,0]=2 465 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,1,0,0,0,0|1,0,0]=2 466 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,1,0,0,0,0|1,0,0]=2 467 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,1,0,0,0,0|1,0,0]=2 468 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,1,0,0,0,0|1,0,0]=2 469 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,1,0,0,0,0|1,0,0]=2 470 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,1,0,0,0,0|1,0,0]=2 471 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,1,0,0,0,0|1,0,0]=2 472 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,1,0,0,0,0|1,0,0]=2 473 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,1,0,0,0,0|1,0,0]=2 474 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,1,0,0,0,0|2,0,0]=3 475 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.13 NC(=O)C1=NNC(=O)CC1 MCULE-3762382528 [0,0,0,1,0,0|1,0,2]=4 477 B10R1.13 NC(=O)C1CCC(=O)CC1 MCULE-8335948190 [0,0,0,1,0,0|2,0,0]=3 478 B10R1.13 NC(=O)C1CCC(CC1)O MCULE-9699134683 [0,0,0,1,0,0|2,0,1]=4 479 B10R1.13 NC(=O)N1CCC(=O)CC1 MCULE-3885416966 [0,0,0,1,0,0|3,0,0]=4 480 B10R1.13 NC(=O)[C@H]1CC[C@@H](CC1)O MCULE-6564995524 [0,0,0,1,0,0|2,0,1]=4 481 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-3204705068 [0,0,0,1,0,0|2,0,1]=4 482 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-7178398033 [0,0,0,1,0,0|2,0,1]=4 483 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1384355113 [0,0,0,1,0,0|2,0,1]=4 484 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1678351091 [0,0,0,1,0,0|2,0,1]=4 485 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-5287470680 [0,0,0,1,0,0|2,0,1]=4 486 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-7907264464 [0,0,0,1,0,0|2,0,1]=4 487 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-2425882122 [0,0,0,1,0,0|2,0,1]=4 488 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3071319870 [0,0,0,1,0,0|2,0,1]=4 489 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3130571634 [0,0,0,1,0,0|2,0,1]=4 490 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-4156067811 [0,0,0,1,0,0|2,0,1]=4 491 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-6185299507 [0,0,0,1,0,0|2,0,1]=4 492 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-8875046289 [0,0,0,1,0,0|2,0,1]=4 493 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-2267551829 [0,0,0,1,0,0|2,0,1]=4 494 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7339394632 [0,0,0,1,0,0|2,0,1]=4 495 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7777420620 [0,0,0,1,0,0|2,0,1]=4 496 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-9629486094 [0,0,0,1,0,0|2,0,1]=4 497 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-3991583469 [0,0,0,1,0,0|2,0,1]=4 498 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8329848691 [0,0,0,1,0,0|2,0,1]=4 499 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8730600296 [0,0,0,1,0,0|2,0,1]=4 500 B10R1.13 O=C1CCC(CC1)C(=O)Cl MCULE-9307268152 [0,0,0,1,0,0|3,0,0]=4 501 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [0,0,0,1,0,0|3,0,0]=4 502 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [0,0,0,1,0,0|3,0,0]=4 503 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-4067834062 [0,0,0,1,0,0|2,0,0]=3 504 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-8147757527 [0,0,0,1,0,0|2,0,0]=3 505 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [0,0,0,1,0,0|3,0,0]=4 506 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [0,0,0,1,0,0|3,0,0]=4 507 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-4350301488 [0,0,0,1,0,0|2,0,0]=3 508 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-6122427477 [0,0,0,1,0,0|2,0,0]=3 509 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-7864506900 [0,0,0,1,0,0|2,0,0]=3 510 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-8690683788 [0,0,0,1,0,0|2,0,0]=3 511 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [0,0,0,1,0,0|3,0,0]=4 512 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-2845724258 [0,0,0,1,0,0|2,0,0]=3 513 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-4534690891 [0,0,0,1,0,0|2,0,0]=3 514 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-5755683417 [0,0,0,1,0,0|2,0,0]=3 515 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-6015971784 [0,0,0,1,0,0|2,0,0]=3 516 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-1011618274 [0,0,0,1,0,0|3,0,0]=4 517 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-9345081526 [0,0,0,1,0,0|3,0,0]=4 518 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-1270509503 [0,0,0,1,0,0|3,0,0]=4 519 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-5912128916 [0,0,0,1,0,0|3,0,0]=4 520 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-6974754540 [0,0,0,1,0,0|3,0,0]=4 521 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-9137341829 [0,0,0,1,0,0|3,0,0]=4 522 B10R1.13 O=C1CN[C@H](CN1)C(=O)O MCULE-8928326150 [0,0,0,1,0,0|3,0,0]=4 523 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1423621462 [0,0,0,1,0,0|2,0,1]=4 524 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1814136074 [0,0,0,1,0,0|2,0,1]=4 525 B10R1.58 CN1CC(CC1=O)C(=O)O MCULE-2604682023 [0,0,0,1,0,0|3,0,0]=4 526 B10R1.58 CN1CC(NC1=O)C(=O)O MCULE-5672121272 [0,0,0,1,0,0|2,0,0]=3 527 B10R1.58 CN1CC(OC1=O)C(=O)O MCULE-1158187923 [0,0,0,1,0,0|3,0,0]=4 528 B10R1.58 CN1C[C@@H](CC1=O)C(=O)O MCULE-4410278134 [0,0,0,1,0,0|3,0,0]=4 529 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-2436172057 [0,0,0,1,0,0|2,0,0]=3 530 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-8618404133 [0,0,0,1,0,0|2,0,0]=3 531 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-2019095795 [0,0,0,1,0,0|1,0,2]=4 532 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-7012514700 [0,0,0,1,0,0|1,0,2]=4 533 B10R1.58 O=C(O)C1CC(=O)N(C1)O MCULE-1951815385 [0,0,0,1,0,0|3,0,0]=4 534 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-3594620408 [0,0,0,1,0,0|1,0,0]=2 535 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-7616817872 [0,0,0,1,0,0|1,0,0]=2 536 B10R1.58 O=C1NC(CC1F)C(=O)O MCULE-5782471146 [0,0,0,1,0,0|1,0,0]=2 537 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-5667846232 [0,0,0,1,0,0|1,0,0]=2 538 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-8319847079 [0,0,0,1,0,0|1,0,0]=2 539 B10R1.83 CC1(C(CC1C(=O)O)N)C MCULE-1760692606 [0,0,0,1,0,0|2,0,1]=4 540 B10R1.83 CC1(C(CC1C(=O)O)N)C MCULE-6477382898 [0,0,0,1,0,0|2,0,1]=4 541 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-1367965106 [0,0,0,1,0,0|2,0,1]=4 542 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-5181157821 [0,0,0,1,0,0|2,0,1]=4 543 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-9629419450 [0,0,0,1,0,0|2,0,1]=4 544 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-1255189062 [0,0,0,1,0,0|2,0,1]=4 545 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-1573159970 [0,0,0,1,0,0|2,0,1]=4 546 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-3597897261 [0,0,0,1,0,0|2,0,1]=4 547 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-5950701932 [0,0,0,1,0,0|2,0,1]=4 548 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-6764578128 [0,0,0,1,0,0|2,0,1]=4 549 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-8635317976 [0,0,0,1,0,0|2,0,1]=4 550 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-2623468295 [0,0,0,1,0,0|2,0,1]=4 551 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-4157898594 [0,0,0,1,0,0|2,0,1]=4 552 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-8831652749 [0,0,0,1,0,0|2,0,1]=4 553 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-8994723547 [0,0,0,1,0,0|2,0,1]=4 554 B10R1.349 CC(=O)N1CC(C1)C(=O)O MCULE-3908865552 [0,0,0,1,0,0|3,0,0]=4 555 B10R1.349 NC(=O)N1CC(C1)C(=O)O MCULE-3854559032 [0,0,0,1,0,0|2,0,0]=3 556 B10R1.349 O=C(O)C1CC(C1)C(=O)O MCULE-7515334695 [0,0,0,1,0,0|2,0,0]=3 557 B10R1.349 O=C(O)C1CC(N1)C(=O)O MCULE-2441047831 [0,0,0,1,0,0|1,0,0]=2 558 B10R1.349 O=C(O)[C@H]1C[C@@H](C1)C(=O)O MCULE-7021077384 [0,0,0,1,0,0|2,0,0]=3 559 B10R1.349 O=C(O)[C@H]1C[C@H](C1)C(=O)O MCULE-2423808428 [0,0,0,1,0,0|2,0,0]=3 560 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 MCULE-5768819085 [0,0,0,1,0,0|2,0,1]=4 561 B10R1.360 C=C(C)C1(CC1C(=O)O)C MCULE-5145834120 [0,0,0,1,0,0|3,0,0]=4 562 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,0,0,1,0,0|2,0,0]=3 563 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,0,0,1,0,0|3,0,0]=4 564 B10R1.470 CC1(CCC(=O)N1)C(=O)O MCULE-6271364258 [0,0,0,1,0,0|3,0,0]=4 565 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,0,0,1,0,0|2,0,0]=3 566 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-6399167225 [0,0,0,1,0,0|3,0,0]=4 567 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-7144294782 [0,0,0,1,0,0|3,0,0]=4 568 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6153592913 [0,0,0,1,0,0|3,0,0]=4 569 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6971506580 [0,0,0,1,0,0|3,0,0]=4 570 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,0,0,0,1,0|3,0,0]=4 571 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,0,0,0,1,0|3,0,0]=4 572 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,0,0,0,1,0|3,0,0]=4 573 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,0,0,0,1,0|3,0,0]=4 574 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,0,0,0,1,0|3,0,0]=4 575 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,0,0,0,1,0|3,0,0]=4 576 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,0,0,0,1,0|2,0,0]=3 577 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,0,0,0,1,0|3,0,0]=4 578 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,0,0,0,1,0|3,0,0]=4 579 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,0,0,0,1,0|3,0,0]=4 580 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,0,0,0,1,0|3,0,0]=4 581 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,0,0,0,1,0|3,0,0]=4 582 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,0,0,0,1,0|2,0,1]=4 583 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,0,0,0,1,0|3,0,0]=4 584 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,0,0,0,1,0|3,0,0]=4 585 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,0,0,0,1,0|2,0,0]=3 586 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,0,0,0,1,0|1,0,0]=2 587 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,0,0,0,1,0|3,0,0]=4 588 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,0,0,0,1,0|2,0,0]=3 589 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,0,0,0,1,0|2,0,0]=3 590 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,0,0,0,1,0|3,0,0]=4 591 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,0,0,0,1,0|3,0,0]=4 592 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,0,0,0,1,0|3,0,0]=4 593 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,0,0,0,1,0|3,0,0]=4 594 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,0,0,0,1,0|3,0,0]=4 595 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,0,0,0,1,0|2,0,1]=4 596 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,0,0,0,1,0|2,0,1]=4 597 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,0,0,0,1,0|2,0,1]=4 598 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,0,0,0,1,0|2,0,1]=4 599 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [0,0,0,0,1,0|2,0,1]=4 600 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [0,0,0,0,1,0|2,0,1]=4 601 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [0,0,0,0,1,0|2,0,1]=4 602 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [0,0,0,0,1,0|2,0,1]=4 603 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [0,0,0,0,1,0|2,0,1]=4 604 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [0,0,0,0,1,0|2,0,1]=4 605 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [0,0,0,0,1,0|2,0,1]=4 606 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,0,0,0,1,0|2,0,1]=4 607 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,0,0,0,1,0|2,0,1]=4 608 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,0,0,0,1,0|2,0,1]=4 609 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,0,0,0,1,0|2,0,1]=4 610 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,0,0,0,1,0|2,0,1]=4 611 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,0,0,0,1,0|2,0,1]=4 612 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,0,0,0,1,0|2,0,1]=4 613 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,0,0,0,1,0|2,0,1]=4 614 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,0,0,0,1,0|3,0,0]=4 615 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,0,0,0,1,0|3,0,0]=4 616 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,0,0,0,1,0|2,0,0]=3 617 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,0,0,0,1,0|2,0,0]=3 618 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,0,0,0,1,0|1,0,2]=4 619 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,0,0,0,1,0|1,0,2]=4 620 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,0,0,0,1,0|3,0,0]=4 621 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,0,0,0,1,0|3,0,0]=4 622 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,0,0,0,1,0|3,0,0]=4 623 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,0,0,0,1,0|2,0,0]=3 624 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,0,0,0,1,0|3,0,0]=4 625 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,0,0,0,1,0|3,0,0]=4 626 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,0,0,0,1,0|3,0,0]=4 627 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,0,0,0,1,0|2,0,0]=3 628 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,0,0,0,1,0|2,0,0]=3 629 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,0,0,0,1,0|1,0,2]=4 630 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,0,0,0,1,0|1,0,2]=4 631 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,0,0,0,1,0|1,0,2]=4 632 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,0,0,0,1,0|1,0,2]=4 633 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,0,0,0,1,0|1,0,2]=4 634 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,0,0,0,1,0|1,0,2]=4 635 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,0,0,0,1,0|2,0,0]=3 636 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,0,0,0,1,0|2,0,0]=3 637 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,0,0,0,1,0|1,0,2]=4 638 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,0,0,0,1,0|3,0,0]=4 639 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,0,0,0,1,0|0,0,0]=1 640 B8R0.23 NC(=O)C=C(N)C(=O)N MCULE-1435081726 [0,0,0,0,1,0|1,0,2]=4 641 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,0,0,0,1,0|3,0,0]=4 642 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,0,0,0,1,0|2,0,0]=3 643 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,0,0,0,1,0|1,0,0]=2 644 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,0,0,0,1,0|2,0,0]=3 645 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,0,0,0,1,0|2,0,0]=3 646 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,0,0,0,1,0|1,0,0]=2 647 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,0,0,0,1,0|1,0,0]=2 648 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,0,0,0,1,0|1,0,0]=2 649 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,0,0,0,1,0|1,0,0]=2 650 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,0,0,0,1,0|2,0,0]=3 651 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,0,0,0,1,0|2,0,0]=3 652 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,0,0,0,1,0|1,0,0]=2 653 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,0,0,0,1,0|0,0,0]=1 654 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,0,0,0,1,0|0,0,0]=1 655 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,0,0,0,1,0|0,0,0]=1 656 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,0,0,0,1,0|0,0,0]=1 657 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,0,0,0,1,0|0,0,0]=1 658 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,0,0,0,1,0|0,0,0]=1 659 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,0,0,0,1,0|1,0,0]=2 660 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,0,0,0,1,0|1,0,0]=2 661 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,0,0,0,1,0|1,0,0]=2 662 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,0,0,0,1,0|1,0,0]=2 663 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,0,0,0,1,0|1,0,1]=3 664 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,0,0,0,1,0|1,0,1]=3 665 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,0,0,0,1,0|1,0,1]=3 666 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,0,0,0,1,0|1,0,0]=2 667 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,0,0,0,1,0|1,0,0]=2 668 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,0,0,0,1,0|1,0,0]=2 669 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,0,0,0,1,0|1,0,1]=3 670 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,0,0,0,1,0|1,0,1]=3 671 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,0,0,0,1,0|1,0,1]=3 672 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,0,0,0,1,0|1,0,1]=3 673 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,0,0,0,1,0|1,0,1]=3 674 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,0,0,0,1,0|1,0,1]=3 675 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,0,0,0,1,0|2,0,0]=3 676 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,0,0,0,1,0|2,0,0]=3 677 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,0,0,0,1,0|1,0,0]=2 678 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,0,0,0,1,0|2,0,1]=4 679 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,0,0,0,1,0|2,0,0]=3 680 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,0,0,0,1,0|2,0,0]=3 681 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,0,0,0,1,0|2,0,0]=3 682 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,0,0,0,1,0|2,0,0]=3 683 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,0,0,0,1,0|2,0,0]=3 684 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,0,0,0,1,0|2,0,0]=3 685 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,0,0,0,1,0|2,0,0]=3 686 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,0,0,0,1,0|2,0,0]=3 687 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,0,0,0,1,0|2,0,0]=3 688 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,0,0,0,1,0|2,0,0]=3 689 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,0,0,0,1,0|2,0,0]=3 690 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,0,0,0,1,0|2,0,0]=3 691 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,0,0,0,1,0|2,0,0]=3 692 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,0,0,0,1,0|2,0,0]=3 693 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,0,0,0,1,0|2,0,0]=3 694 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,0,0,0,1,0|2,0,0]=3 695 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,0,0,0,1,0|2,0,0]=3 696 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,0,0,0,1,0|2,0,0]=3 697 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,0,0,0,1,0|1,0,0]=2 698 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,0,0,0,1,0|1,0,0]=2 699 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [0,0,0,0,1,0|2,0,1]=4 700 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [0,0,0,0,1,0|2,0,1]=4 701 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [0,0,0,0,1,0|2,0,1]=4 702 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,0,0,0,1,0|3,0,0]=4 703 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,0,0,0,1,0|1,0,2]=4 704 B10R0.96 CC(=O)CC(=O)CCC(=O)O MCULE-6445854186 [0,0,0,0,0,1|2,0,1]=4 705 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,0,0,0,0,1|2,0,0]=3 706 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,0,0,0,0,1|2,0,0]=3 707 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,0,0,0,0,1|2,0,0]=3 708 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,0,0,0,0,1|2,0,0]=3 709 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,0,0,0,0,1|2,0,0]=3 710 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,0,0,0,0,1|2,0,0]=3 711 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,0,0,0,0,1|2,0,0]=3 712 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,0,0,0,0,1|2,0,0]=3 713 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,0,0,0,0,1|2,0,0]=3 714 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,0,0,0,0,1|2,0,0]=3 715 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,0,0,0,0,1|2,0,0]=3 716 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,0,0,0,0,1|1,0,0]=2 717 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,0,0,0,0,1|1,0,0]=2 718 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,0,0,0,0,1|1,0,0]=2 719 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,0,0,0,0,1|1,0,0]=2 720 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,0,0,0,0,1|1,0,0]=2 721 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,0,0,0,0,1|1,0,0]=2 722 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,0,0,0,0,1|1,0,0]=2 723 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,0,0,0,0,1|1,0,0]=2 724 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,0,0,0,0,1|3,0,0]=4 725 B10R0.98 CC(=O)N(C)CCCC(=O)O MCULE-1764265267 [0,0,0,0,0,1|3,0,0]=4 726 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,0,0,0,0,1|2,0,0]=3 727 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,0,0,0,0,1|2,0,0]=3 728 B10R0.98 CC(=O)OCCC(Cl)C(=O)C MCULE-5825336009 [0,0,0,0,0,1|3,0,0]=4 729 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,0,0,0,0,1|2,0,0]=3 730 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,0,0,0,0,1|2,0,0]=3 731 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,0,0,0,0,1|2,0,0]=3 732 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,0,0,0,0,1|2,0,0]=3 733 B10R0.98 CC(CCCC(=O)Cl)C(=O)Cl MCULE-7532082954 [0,0,0,0,0,1|3,0,0]=4 734 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,0,0,0,0,1|3,0,0]=4 735 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,0,0,0,0,1|3,0,0]=4 736 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,0,0,0,0,1|3,0,0]=4 737 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,0,0,0,0,1|3,0,0]=4 738 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,0,0,0,0,1|1,0,0]=2 739 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,0,0,0,0,1|1,0,0]=2 740 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,0,0,0,0,1|1,0,0]=2 741 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,0,0,0,0,1|1,0,0]=2 742 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,0,0,0,0,1|1,0,0]=2 743 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,0,0,0,0,1|1,0,0]=2 744 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,0,0,0,0,1|1,0,0]=2 745 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,0,0,0,0,1|1,0,0]=2 746 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,0,0,0,0,1|1,0,0]=2 747 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,0,0,0,0,1|1,0,0]=2 748 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,0,0,0,0,1|2,0,1]=4 749 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,0,0,0,0,1|2,0,0]=3 750 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,0,0,0,0,1|2,0,0]=3 751 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] MCULE-7990606586 [0,0,0,0,0,1|2,0,1]=4 752 B7R0.3 C=CCCC(N)CN MCULE-3448579919 [2,0,0,0,0,0|1,0,1]=4 753 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [2,0,0,0,0,0|1,0,1]=4 754 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [2,0,0,0,0,0|1,0,1]=4 755 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [2,0,0,0,0,0|2,0,0]=4 756 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [2,0,0,0,0,0|1,0,0]=3 757 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [2,0,0,0,0,0|2,0,0]=4 758 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [2,0,0,0,0,0|2,0,0]=4 759 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [2,0,0,0,0,0|2,0,0]=4 760 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [2,0,0,0,0,0|2,0,0]=4 761 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [2,0,0,0,0,0|1,0,1]=4 762 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [2,0,0,0,0,0|2,0,0]=4 763 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [2,0,0,0,0,0|2,0,0]=4 764 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [2,0,0,0,0,0|1,0,1]=4 765 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [2,0,0,0,0,0|1,0,1]=4 766 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [2,0,0,0,0,0|1,0,1]=4 767 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [2,0,0,0,0,0|2,0,0]=4 768 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [2,0,0,0,0,0|2,0,0]=4 769 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [2,0,0,0,0,0|2,0,0]=4 770 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [2,0,0,0,0,0|2,0,0]=4 771 B7R0.4 COCCCC(=O)O MCULE-3165881573 [2,0,0,0,0,0|2,0,0]=4 772 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [2,0,0,0,0,0|2,0,0]=4 773 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [2,0,0,0,0,0|0,0,2]=4 774 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [2,0,0,0,0,0|1,0,1]=4 775 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [2,0,0,0,0,0|1,0,1]=4 776 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [2,0,0,0,0,0|0,0,1]=3 777 B7R0.4 NC(=O)COCCO MCULE-3158372920 [2,0,0,0,0,0|1,0,1]=4 778 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [2,0,0,0,0,0|1,0,1]=4 779 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [2,0,0,0,0,0|1,0,1]=4 780 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [2,0,0,0,0,0|1,0,1]=4 781 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [2,0,0,0,0,0|1,0,1]=4 782 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [2,0,0,0,0,0|0,0,1]=3 783 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [2,0,0,0,0,0|0,0,1]=3 784 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [2,0,0,0,0,0|0,0,1]=3 785 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [2,0,0,0,0,0|0,0,1]=3 786 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [2,0,0,0,0,0|1,0,1]=4 787 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [2,0,0,0,0,0|1,0,1]=4 788 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [2,0,0,0,0,0|1,0,1]=4 789 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [2,0,0,0,0,0|1,0,1]=4 790 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [2,0,0,0,0,0|1,0,1]=4 791 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [2,0,0,0,0,0|1,0,1]=4 792 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [2,0,0,0,0,0|1,0,0]=3 793 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [2,0,0,0,0,0|1,0,0]=3 794 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [2,0,0,0,0,0|1,0,1]=4 795 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [2,0,0,0,0,0|1,0,1]=4 796 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [2,0,0,0,0,0|1,0,1]=4 797 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [2,0,0,0,0,0|0,0,2]=4 798 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [2,0,0,0,0,0|0,1,1]=4 799 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [2,0,0,0,0,0|1,0,1]=4 800 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [2,0,0,0,0,0|0,0,0]=2 801 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [2,0,0,0,0,0|1,0,1]=4 802 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [2,0,0,0,0,0|1,0,1]=4 803 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [2,0,0,0,0,0|1,0,1]=4 804 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [2,0,0,0,0,0|1,0,1]=4 805 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [2,0,0,0,0,0|1,0,1]=4 806 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [2,0,0,0,0,0|1,0,1]=4 807 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [2,0,0,0,0,0|1,0,1]=4 808 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [2,0,0,0,0,0|1,0,1]=4 809 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [2,0,0,0,0,0|1,0,1]=4 810 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [2,0,0,0,0,0|1,0,1]=4 811 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [2,0,0,0,0,0|1,0,1]=4 812 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [2,0,0,0,0,0|1,0,1]=4 813 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [2,0,0,0,0,0|2,0,0]=4 814 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [2,0,0,0,0,0|2,0,0]=4 815 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [2,0,0,0,0,0|1,0,0]=3 816 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [2,0,0,0,0,0|2,0,0]=4 817 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [2,0,0,0,0,0|2,0,0]=4 818 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [2,0,0,0,0,0|1,0,1]=4 819 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [2,0,0,0,0,0|0,0,1]=3 820 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [2,0,0,0,0,0|0,0,1]=3 821 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [2,0,0,0,0,0|1,0,1]=4 822 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [2,0,0,0,0,0|1,0,1]=4 823 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [2,0,0,0,0,0|1,0,1]=4 824 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [2,0,0,0,0,0|1,0,1]=4 825 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [2,0,0,0,0,0|1,0,1]=4 826 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [2,0,0,0,0,0|1,0,1]=4 827 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [2,0,0,0,0,0|0,0,1]=3 828 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [2,0,0,0,0,0|0,0,1]=3 829 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [2,0,0,0,0,0|0,0,1]=3 830 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [2,0,0,0,0,0|0,0,1]=3 831 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [2,0,0,0,0,0|1,0,1]=4 832 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [2,0,0,0,0,0|1,0,1]=4 833 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [2,0,0,0,0,0|1,0,1]=4 834 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [2,0,0,0,0,0|1,0,1]=4 835 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [2,0,0,0,0,0|1,0,1]=4 836 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [2,0,0,0,0,0|2,0,0]=4 837 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [2,0,0,0,0,0|2,0,0]=4 838 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [2,0,0,0,0,0|2,0,0]=4 839 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [2,0,0,0,0,0|2,0,0]=4 840 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [2,0,0,0,0,0|2,0,0]=4 841 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [2,0,0,0,0,0|1,0,0]=3 842 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [2,0,0,0,0,0|1,0,0]=3 843 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [2,0,0,0,0,0|1,1,0]=4 844 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [2,0,0,0,0,0|1,1,0]=4 845 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [2,0,0,0,0,0|2,0,0]=4 846 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [2,0,0,0,0,0|2,0,0]=4 847 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [2,0,0,0,0,0|2,0,0]=4 848 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [2,0,0,0,0,0|2,0,0]=4 849 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [2,0,0,0,0,0|2,0,0]=4 850 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [2,0,0,0,0,0|2,0,0]=4 851 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [2,0,0,0,0,0|2,0,0]=4 852 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [2,0,0,0,0,0|2,0,0]=4 853 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [2,0,0,0,0,0|2,0,0]=4 854 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [2,0,0,0,0,0|2,0,0]=4 855 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [2,0,0,0,0,0|2,0,0]=4 856 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [2,0,0,0,0,0|2,0,0]=4 857 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [2,0,0,0,0,0|2,0,0]=4 858 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [2,0,0,0,0,0|2,0,0]=4 859 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [2,0,0,0,0,0|2,0,0]=4 860 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [2,0,0,0,0,0|2,0,0]=4 861 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [2,0,0,0,0,0|2,0,0]=4 862 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [2,0,0,0,0,0|2,0,0]=4 863 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [2,0,0,0,0,0|2,0,0]=4 864 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [2,0,0,0,0,0|2,0,0]=4 865 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [2,0,0,0,0,0|2,0,0]=4 866 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [2,0,0,0,0,0|2,0,0]=4 867 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [2,0,0,0,0,0|2,0,0]=4 868 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [2,0,0,0,0,0|2,0,0]=4 869 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [2,0,0,0,0,0|2,0,0]=4 870 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [2,0,0,0,0,0|1,0,0]=3 871 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [2,0,0,0,0,0|1,0,0]=3 872 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [2,0,0,0,0,0|1,1,0]=4 873 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [2,0,0,0,0,0|1,1,0]=4 874 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [2,0,0,0,0,0|2,0,0]=4 875 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [2,0,0,0,0,0|2,0,0]=4 876 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [2,0,0,0,0,0|1,0,0]=3 877 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [2,0,0,0,0,0|1,0,0]=3 878 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [2,0,0,0,0,0|1,1,0]=4 879 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [2,0,0,0,0,0|1,1,0]=4 880 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [2,0,0,0,0,0|2,0,0]=4 881 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [2,0,0,0,0,0|1,0,1]=4 882 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [2,0,0,0,0,0|1,0,1]=4 883 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [2,0,0,0,0,0|1,0,1]=4 884 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [2,0,0,0,0,0|1,0,1]=4 885 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [2,0,0,0,0,0|1,0,1]=4 886 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [2,0,0,0,0,0|1,0,1]=4 887 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [2,0,0,0,0,0|0,0,1]=3 888 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [2,0,0,0,0,0|0,0,1]=3 889 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [2,0,0,0,0,0|1,0,1]=4 890 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [2,0,0,0,0,0|1,0,1]=4 891 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [2,0,0,0,0,0|2,0,0]=4 892 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [2,0,0,0,0,0|0,0,1]=3 893 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [2,0,0,0,0,0|0,0,1]=3 894 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [2,0,0,0,0,0|0,0,1]=3 895 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [2,0,0,0,0,0|0,0,1]=3 896 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [2,0,0,0,0,0|0,0,1]=3 897 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [2,0,0,0,0,0|0,0,1]=3 898 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [2,0,0,0,0,0|1,0,1]=4 899 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [2,0,0,0,0,0|0,0,1]=3 900 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [2,0,0,0,0,0|1,0,1]=4 901 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [2,0,0,0,0,0|1,0,1]=4 902 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|1,0,1]=4 903 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|1,0,1]=4 904 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [2,0,0,0,0,0|2,0,0]=4 905 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [2,0,0,0,0,0|2,0,0]=4 906 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [2,0,0,0,0,0|1,0,1]=4 907 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9372602528 [1,1,0,0,0,0|2,0,0]=4 908 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9719986161 [1,1,0,0,0,0|2,0,0]=4 909 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-3612140892 [1,1,0,0,0,0|2,0,0]=4 910 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-5468588566 [1,1,0,0,0,0|2,0,0]=4 911 B9R0.13 CCCCC(NC)C(=O)N MCULE-5960268514 [1,1,0,0,0,0|1,0,1]=4 912 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [1,1,0,0,0,0|1,0,1]=4 913 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [1,1,0,0,0,0|2,0,0]=4 914 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [1,1,0,0,0,0|2,0,0]=4 915 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [1,1,0,0,0,0|2,0,0]=4 916 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [1,1,0,0,0,0|2,0,0]=4 917 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [1,1,0,0,0,0|2,0,0]=4 918 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [1,1,0,0,0,0|2,0,0]=4 919 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [1,1,0,0,0,0|2,0,0]=4 920 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [1,1,0,0,0,0|2,0,0]=4 921 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [1,1,0,0,0,0|2,0,0]=4 922 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [1,1,0,0,0,0|2,0,0]=4 923 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [1,1,0,0,0,0|2,0,0]=4 924 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [1,1,0,0,0,0|2,0,0]=4 925 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [1,1,0,0,0,0|2,0,0]=4 926 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [1,1,0,0,0,0|2,0,0]=4 927 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [1,1,0,0,0,0|2,0,0]=4 928 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [1,1,0,0,0,0|1,0,1]=4 929 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [1,1,0,0,0,0|1,0,1]=4 930 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [1,1,0,0,0,0|1,0,1]=4 931 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [1,1,0,0,0,0|1,0,1]=4 932 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [1,1,0,0,0,0|1,0,1]=4 933 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [1,1,0,0,0,0|1,0,1]=4 934 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [1,1,0,0,0,0|1,0,1]=4 935 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [1,1,0,0,0,0|1,0,1]=4 936 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [1,1,0,0,0,0|1,0,1]=4 937 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [1,1,0,0,0,0|1,0,1]=4 938 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [1,1,0,0,0,0|1,0,1]=4 939 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [1,1,0,0,0,0|1,0,1]=4 940 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [1,1,0,0,0,0|1,0,1]=4 941 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [1,1,0,0,0,0|1,0,1]=4 942 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [1,1,0,0,0,0|2,0,0]=4 943 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [1,1,0,0,0,0|1,0,1]=4 944 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [1,1,0,0,0,0|1,0,1]=4 945 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [1,1,0,0,0,0|2,0,0]=4 946 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [1,1,0,0,0,0|2,0,0]=4 947 B9R0.24 CCC(N)CCC(=O)OC MCULE-8096200173 [1,1,0,0,0,0|1,0,1]=4 948 B9R0.24 CCC(N)CCC(=O)OC MCULE-9735533305 [1,1,0,0,0,0|1,0,1]=4 949 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [1,1,0,0,0,0|1,0,1]=4 950 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [1,1,0,0,0,0|1,0,1]=4 951 B9R0.48 N#C/C=C(\N)/CCC(=O)O MCULE-9325480359 [1,1,0,0,0,0|0,0,2]=4 952 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [1,1,0,0,0,0|2,0,0]=4 953 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [1,1,0,0,0,0|2,0,0]=4 954 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [1,1,0,0,0,0|1,0,0]=3 955 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [1,1,0,0,0,0|2,0,0]=4 956 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [1,1,0,0,0,0|2,0,0]=4 957 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [1,1,0,0,0,0|0,0,0]=2 958 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [1,1,0,0,0,0|1,0,0]=3 959 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [1,1,0,0,0,0|1,0,0]=3 960 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [1,1,0,0,0,0|1,0,0]=3 961 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [1,1,0,0,0,0|1,0,0]=3 962 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [1,1,0,0,0,0|1,0,0]=3 963 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [1,1,0,0,0,0|0,1,0]=3 964 B9R0.1 COC(=O)CCCN(=O)=O MCULE-6885475719 [1,1,0,0,0,0|2,0,0]=4 965 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [1,1,0,0,0,0|2,0,0]=4 966 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [1,1,0,0,0,0|1,0,0]=3 967 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [1,1,0,0,0,0|2,0,0]=4 968 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [1,1,0,0,0,0|2,0,0]=4 969 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [1,1,0,0,0,0|2,0,0]=4 970 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [1,1,0,0,0,0|2,0,0]=4 971 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [1,1,0,0,0,0|2,0,0]=4 972 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [1,1,0,0,0,0|2,0,0]=4 973 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [1,1,0,0,0,0|0,0,0]=2 974 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [1,1,0,0,0,0|0,0,0]=2 975 B9R0.1 NCC(=O)NCCC(=O)N MCULE-3860393064 [1,1,0,0,0,0|2,0,0]=4 976 B9R0.1 NCC(=O)NCCC(=O)N MCULE-8788981043 [1,1,0,0,0,0|2,0,0]=4 977 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [1,1,0,0,0,0|2,0,0]=4 978 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [1,1,0,0,0,0|2,0,0]=4 979 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [1,1,0,0,0,0|2,0,0]=4 980 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [1,1,0,0,0,0|2,0,0]=4 981 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [1,1,0,0,0,0|2,0,0]=4 982 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [1,1,0,0,0,0|1,0,0]=3 983 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,1,0,0,0,0|1,0,0]=3 984 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [1,1,0,0,0,0|1,0,0]=3 985 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [1,1,0,0,0,0|2,0,0]=4 986 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [1,1,0,0,0,0|2,0,0]=4 987 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [1,1,0,0,0,0|1,0,0]=3 988 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [1,1,0,0,0,0|1,0,0]=3 989 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [1,1,0,0,0,0|2,0,0]=4 990 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [1,1,0,0,0,0|1,0,1]=4 991 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [1,1,0,0,0,0|1,0,0]=3 992 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [1,1,0,0,0,0|2,0,0]=4 993 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [1,1,0,0,0,0|2,0,0]=4 994 B9R0.56 NC(=O)NCCS(=O)(=O)O MCULE-6567400181 [1,1,0,0,0,0|2,0,0]=4 995 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [1,1,0,0,0,0|1,0,0]=3 996 B9R0.56 NS(=O)(=O)NCCC(=O)O MCULE-7564527970 [1,1,0,0,0,0|2,0,0]=4 997 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [1,1,0,0,0,0|2,0,0]=4 998 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-2432744381 [0,1,0,0,1,0|2,0,0]=4 999 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-7800105371 [0,1,0,0,1,0|2,0,0]=4 1000 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,1,0,0,1,0|2,0,0]=4 1001 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,1,0,0,1,0|2,0,0]=4 1002 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,1,0,0,1,0|1,0,0]=3 1003 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,1,0,0,1,0|1,0,0]=3 1004 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,1,0,0,1,0|2,0,0]=4 1005 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,1,0,0,1,0|1,0,0]=3 1006 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,1,0,0,1,0|1,0,0]=3 1007 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,1,0,0,1,0|2,0,0]=4 1008 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,1,0,0,1,0|2,0,0]=4 1009 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,1,0,0,1,0|1,0,0]=3 1010 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,1,0,0,1,0|2,0,0]=4 1011 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,1,0,0,1,0|2,0,0]=4 1012 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,1,0,0,1,0|2,0,0]=4 1013 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,1,0,0,1,0|2,0,0]=4 1014 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,1,0,0,1,0|1,0,0]=3 1015 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,1,0,0,1,0|2,0,0]=4 1016 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,1,0,0,1,0|1,0,0]=3 1017 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,1,0,0,1,0|1,0,0]=3 1018 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,1,0,0,1,0|1,0,0]=3 1019 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,1,0,0,1,0|2,0,0]=4 1020 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,1,0,0,1,0|1,0,0]=3 1021 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,1,0,0,1,0|1,0,0]=3 1022 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,1,0,0,1,0|1,0,0]=3 1023 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,1,0,0,1,0|2,0,0]=4 1024 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,1,0,0,1,0|1,0,0]=3 1025 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,1,0,0,1,0|1,0,0]=3 1026 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,1,0,0,1,0|2,0,0]=4 1027 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,1,0,0,1,0|2,0,0]=4 1028 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,1,0,0,1,0|2,0,0]=4 1029 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,1,0,0,1,0|2,0,0]=4 1030 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,1,0,0,1,0|2,0,0]=4 1031 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,1,0,0,1,0|2,0,0]=4 1032 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,1,0,0,1,0|2,0,0]=4 1033 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,1,0,0,1,0|2,0,0]=4 1034 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,1,0,0,1,0|2,0,0]=4 1035 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,1,0,0,1,0|1,0,0]=3 1036 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,1,0,0,1,0|2,0,0]=4 1037 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,1,0,0,1,0|1,0,0]=3 1038 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,1,0,0,1,0|2,0,0]=4 1039 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,1,0,0,1,0|1,0,0]=3 1040 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,1,0,0,1,0|1,0,0]=3 1041 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,1,0,0,1,0|2,0,0]=4 1042 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,1,0,0,1,0|1,0,0]=3 1043 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,1,0,0,1,0|1,0,0]=3 1044 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,1,0,0,1,0|1,0,0]=3 1045 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,1,0,0,1,0|1,0,0]=3 1046 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,1,0,0,1,0|1,0,0]=3 1047 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,1,0,0,1,0|1,0,0]=3 1048 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,1,0,0,1,0|2,0,0]=4 1049 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,1,0,0,1,0|2,0,0]=4 1050 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,1,0,0,1,0|2,0,0]=4 1051 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,1,0,0,1,0|2,0,0]=4 1052 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,1,0,0,1,0|2,0,0]=4 1053 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,1,0,0,1,0|2,0,0]=4 1054 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,1,0,0,1,0|2,0,0]=4 1055 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,1,0,0,1,0|2,0,0]=4 1056 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,1,0,0,1,0|2,0,0]=4 1057 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,1,0,0,1,0|2,0,0]=4 1058 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,1,0,0,1,0|2,0,0]=4 1059 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,1,0,0,1,0|2,0,0]=4 1060 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,1,0,0,1,0|2,0,0]=4 1061 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,1,0,0,1,0|2,0,0]=4 1062 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,1,0,0,1,0|2,0,0]=4 1063 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,1,0,0,1,0|2,0,0]=4 1064 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,1,0,0,1,0|2,0,0]=4 1065 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,1,0,0,1,0|2,0,0]=4 1066 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,1,0,0,1,0|2,0,0]=4 1067 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,1,0,0,1,0|2,0,0]=4 1068 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,1,0,0,1,0|2,0,0]=4 1069 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,1,0,0,1,0|2,0,0]=4 1070 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,1,0,0,1,0|2,0,0]=4 1071 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,1,0,0,1,0|2,0,0]=4 1072 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,1,0,0,1,0|2,0,0]=4 1073 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,1,0,0,1,0|2,0,0]=4 1074 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,1,0,0,1,0|2,0,0]=4 1075 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,1,0,0,1,0|2,0,0]=4 1076 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,1,0,0,1,0|2,0,0]=4 1077 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,1,0,0,1,0|2,0,0]=4 1078 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,1,0,0,1,0|2,0,0]=4 1079 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,1,0,0,1,0|2,0,0]=4 1080 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,1,0,0,1,0|2,0,0]=4 1081 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,1,0,0,1,0|2,0,0]=4 1082 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,1,0,0,1,0|2,0,0]=4 1083 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,1,0,0,1,0|2,0,0]=4 1084 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,1,0,0,1,0|2,0,0]=4 1085 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,1,0,0,1,0|2,0,0]=4 1086 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,1,0,0,1,0|2,0,0]=4 1087 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,1,0,0,1,0|2,0,0]=4 1088 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,1,0,0,1,0|2,0,0]=4 1089 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,1,0,0,1,0|2,0,0]=4 1090 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O MCULE-8617510469 [0,1,0,0,0,1|1,0,0]=3 1091 B11R0.232 CC(C)(CCC(=O)O)CC(=O)O MCULE-6179333060 [0,1,0,0,0,1|2,0,0]=4 1092 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-6525672180 [0,1,0,0,0,1|1,0,0]=3 1093 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-9595280451 [0,1,0,0,0,1|1,0,0]=3 1094 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-3482420480 [0,1,0,0,0,1|1,0,0]=3 1095 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-4023404585 [0,1,0,0,0,1|1,0,0]=3 1096 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-7929391321 [0,1,0,0,0,1|1,0,0]=3 1097 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-8630961555 [0,1,0,0,0,1|1,0,0]=3 1098 B11R0.109 N/C(=N\CCC(N)C(=O)O)/NO MCULE-3317847954 [0,1,0,0,0,1|2,0,0]=4 1099 B11R0.109 N/C(=N\O)/NCC[C@H](N)C(=O)O MCULE-6818477347 [0,1,0,0,0,1|2,0,0]=4 1100 B11R0.109 N=C(NO)NCCC(N)C(=O)O MCULE-1136835208 [0,1,0,0,0,1|2,0,0]=4 1101 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-1084312846 [0,1,0,0,0,1|2,0,0]=4 1102 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-4376787249 [0,1,0,0,0,1|2,0,0]=4 1103 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-5014640829 [0,1,0,0,0,1|2,0,0]=4 1104 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-5651762446 [0,1,0,0,0,1|2,0,0]=4 1105 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-6461612970 [0,1,0,0,0,1|2,0,0]=4 1106 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-9060251744 [0,1,0,0,0,1|2,0,0]=4 1107 B11R0.150 CC(CCC(C)C(=O)O)C(=O)O MCULE-5912549588 [0,1,0,0,0,1|2,0,0]=4 1108 B11R0.150 NC(=O)C(Br)CCC(Br)C(=O)N MCULE-2705075437 [0,1,0,0,0,1|2,0,0]=4 1109 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,1,0,0,0,1|1,0,0]=3 1110 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,1,0,0,0,1|1,0,0]=3 1111 B11R0.150 NC(CNC(=O)C(=O)O)C(=O)O MCULE-4369517479 [0,1,0,0,0,1|1,0,1]=4 1112 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,1,0,0,0,1|1,0,0]=3 1113 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,1,0,0,0,1|1,0,0]=3 1114 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,1,0,0,0,1|1,0,0]=3 1115 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,1,0,0,0,1|1,0,0]=3 1116 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-6891448368 [0,1,0,0,0,1|1,0,1]=4 1117 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-8386372368 [0,1,0,0,0,1|1,0,1]=4 1118 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,1,0,0,0,1|1,0,0]=3 1119 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O MCULE-1364640997 [0,1,0,0,0,1|2,0,0]=4 1120 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,1,0,0,0,1|2,0,0]=4 1121 B11R0.318 NC(CCCP(=O)(O)O)C(=O)[O-] MCULE-1190482144 [0,1,0,0,0,1|2,0,0]=4 1122 B11R0.318 NC(CCCP(=O)([O-])O)C(=O)O MCULE-7628102703 [0,1,0,0,0,1|2,0,0]=4 1123 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,1,0,0,0,1|2,0,0]=4 1124 B11R0.318 N[C@@H](CCCP(=O)([O-])O)C(=O)O MCULE-2274115416 [0,1,0,0,0,1|2,0,0]=4 1125 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,1,0,0,0,1|2,0,0]=4 1126 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,1,0,0,0,1|2,0,0]=4 1127 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O MCULE-4852574589 [0,2,0,0,0,0|2,0,0]=4 1128 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O MCULE-9496860126 [0,2,0,0,0,0|1,0,0]=3 1129 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O MCULE-6781805828 [0,2,0,0,0,0|1,0,0]=3 1130 B11R0.201 COC(=O)CCC(C)(C)C(=O)O MCULE-8216672018 [0,2,0,0,0,0|2,0,0]=4 1131 B11R0.288 COC(=O)C(C)(C)CCC(=O)O MCULE-4045283037 [0,2,0,0,0,0|2,0,0]=4 1132 B11R0.371 CC[C@](N)(CCC(=O)O)C(=O)O MCULE-5000195468 [0,2,0,0,0,0|1,0,0]=3 1133 B11R0.429 CC(N)(CCP(=O)(O)O)C(=O)O MCULE-2760958330 [0,2,0,0,0,0|2,0,0]=4 1134 B11R0.429 C[C@@](N)(CCP(=O)(O)O)C(=O)O MCULE-1287669186 [0,2,0,0,0,0|2,0,0]=4 1135 B11R0.429 C[C@](N)(CCP(=O)(O)O)C(=O)O MCULE-2264066789 [0,2,0,0,0,0|2,0,0]=4 1136 B11R0.59 CCOC(=O)C(N)CCC(=O)O MCULE-5481835291 [0,2,0,0,0,0|1,0,0]=3 1137 B11R0.59 CCOC(=O)C(N)CCC(=O)O MCULE-5766868801 [0,2,0,0,0,0|1,0,0]=3 1138 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-4237495428 [0,2,0,0,0,0|1,0,0]=3 1139 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-4946507428 [0,2,0,0,0,0|1,0,0]=3 1140 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-5731424801 [0,2,0,0,0,0|1,0,0]=3 1141 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-6354251285 [0,2,0,0,0,0|1,0,0]=3 1142 B11R0.120 COC(=O)CCC(Br)C(=O)OC MCULE-4447535641 [0,2,0,0,0,0|2,0,0]=4 1143 B11R0.120 COC(=O)CCC(C)C(=O)OC MCULE-3821505391 [0,2,0,0,0,0|2,0,0]=4 1144 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-1062487923 [0,2,0,0,0,0|1,0,0]=3 1145 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-5522897343 [0,2,0,0,0,0|1,0,0]=3 1146 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-7739323862 [0,2,0,0,0,0|1,0,0]=3 1147 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-8126985577 [0,2,0,0,0,0|1,0,0]=3 1148 B11R0.120 COC(=O)CC[C@@H](C)C(=O)OC MCULE-2234361542 [0,2,0,0,0,0|2,0,0]=4 1149 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-3575816335 [0,2,0,0,0,0|1,0,0]=3 1150 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-8268535901 [0,2,0,0,0,0|1,0,0]=3 1151 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-8728274804 [0,2,0,0,0,0|1,0,0]=3 1152 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-9773820282 [0,2,0,0,0,0|1,0,0]=3 1153 B11R0.120 COC(=O)CC[C@@H](O)C(=O)OC MCULE-6749008630 [0,2,0,0,0,0|2,0,0]=4 1154 B11R0.120 COC(=O)CC[C@@H](O)C(=O)OC MCULE-7189187238 [0,2,0,0,0,0|2,0,0]=4 1155 B11R0.120 COC(=O)CC[C@H](C)C(=O)OC MCULE-8354376608 [0,2,0,0,0,0|2,0,0]=4 1156 B11R0.120 COC(=O)CC[C@H](C)C(=O)OC MCULE-9923578542 [0,2,0,0,0,0|2,0,0]=4 1157 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-1839997834 [0,2,0,0,0,0|1,0,0]=3 1158 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-5240302694 [0,2,0,0,0,0|1,0,0]=3 1159 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-6781902445 [0,2,0,0,0,0|1,0,0]=3 1160 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-7992732132 [0,2,0,0,0,0|1,0,0]=3 1161 B11R0.120 COC(=O)CC[C@H](O)C(=O)OC MCULE-8679796118 [0,2,0,0,0,0|2,0,0]=4 1162 B11R0.141 CCNC(=O)CCC(N)C(=O)O MCULE-6282658853 [0,2,0,0,0,0|2,0,0]=4 1163 B11R0.141 CCNC(=O)CC[C@@H](N)C(=O)O MCULE-8097322594 [0,2,0,0,0,0|2,0,0]=4 1164 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O MCULE-6143390139 [0,2,0,0,0,0|2,0,0]=4 1165 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O MCULE-9231004806 [0,2,0,0,0,0|2,0,0]=4 1166 B11R0.141 CCOC(=O)CCC(N)C(=O)O MCULE-9823045547 [0,2,0,0,0,0|1,0,0]=3 1167 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O MCULE-8792343648 [0,2,0,0,0,0|1,0,0]=3 1168 B11R0.141 [C@H](N)(CCC(=O)OCC)C(=O)O MCULE-8568738055 [0,2,0,0,0,0|1,0,0]=3 1169 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-4285872078 [0,2,0,0,0,0|1,0,0]=3 1170 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-7706960153 [0,2,0,0,0,0|1,0,0]=3 1171 B11R0.28 CN(C)[C@@H](CCC(=O)O)C(=O)O MCULE-2784771552 [0,2,0,0,0,0|1,0,0]=3 1172 B11R0.28 CN(C)[C@H](CCC(=O)N)C(=O)O MCULE-2650965426 [0,2,0,0,0,0|2,0,0]=4 1173 B11R0.28 CN(C)[C@H](CCC(=O)O)C(=O)O MCULE-7024104536 [0,2,0,0,0,0|1,0,0]=3 1174 B11R0.146 CCCC(CCC(=O)O)C(=O)C MCULE-2427095523 [0,2,0,0,0,0|2,0,0]=4 1175 B11R0.146 N/C=N/[C@@H](CCC(=O)O)C(=O)O MCULE-1122843385 [0,2,0,0,0,0|1,0,0]=3 1176 B11R0.146 NC(=O)CCC(NC=O)C(=O)O MCULE-5875375171 [0,2,0,0,0,0|2,0,0]=4 1177 B11R0.146 [C@@H](CCC(=O)N)(NCC)C(=O)O MCULE-6210892228 [0,2,0,0,0,0|2,0,0]=4 1178 B11R0.275 CCC(C[C@H](N)C(=O)O)C(=O)O MCULE-1744478562 [0,2,0,0,0,0|1,0,0]=3 1179 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [1,0,0,1,0,0|1,0,1]=4 1180 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [1,0,0,1,0,0|1,0,1]=4 1181 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [1,0,0,1,0,0|1,0,1]=4 1182 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [1,0,0,1,0,0|1,0,1]=4 1183 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [1,0,0,1,0,0|1,0,1]=4 1184 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [1,0,0,1,0,0|1,0,1]=4 1185 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [1,0,0,1,0,0|1,0,1]=4 1186 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [1,0,0,1,0,0|1,0,1]=4 1187 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [1,0,0,1,0,0|1,0,1]=4 1188 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [1,0,0,1,0,0|1,0,1]=4 1189 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [1,0,0,1,0,0|1,0,1]=4 1190 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [1,0,0,1,0,0|1,0,1]=4 1191 B9R1.6 NC(=O)C1CC=CCC1 MCULE-5613786218 [1,0,0,1,0,0|2,0,0]=4 1192 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [1,0,0,1,0,0|1,0,1]=4 1193 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [1,0,0,1,0,0|1,0,1]=4 1194 B9R1.6 NC(=O)C1CCCOC1 MCULE-3754898627 [1,0,0,1,0,0|1,0,1]=4 1195 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [1,0,0,1,0,0|1,0,1]=4 1196 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,1,0,0|2,0,0]=4 1197 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [1,0,0,1,0,0|2,0,0]=4 1198 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [1,0,0,1,0,0|2,0,0]=4 1199 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [1,0,0,1,0,0|0,0,0]=2 1200 B9R1.35 NC(=O)C1CNC(=O)C1 MCULE-2954653092 [1,0,0,1,0,0|2,0,0]=4 1201 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [1,0,0,1,0,0|0,0,0]=2 1202 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [1,0,0,1,0,0|0,0,0]=2 1203 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,1,0,0|2,0,0]=4 1204 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [1,0,0,1,0,0|1,0,0]=3 1205 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [1,0,0,1,0,0|1,0,0]=3 1206 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [1,0,0,1,0,0|1,0,0]=3 1207 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [1,0,0,1,0,0|1,0,0]=3 1208 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [1,0,0,1,0,0|2,0,0]=4 1209 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [1,0,0,1,0,0|2,0,0]=4 1210 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,1,0,0|2,0,0]=4 1211 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,1,0,0|2,0,0]=4 1212 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [1,0,0,1,0,0|1,0,0]=3 1213 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [1,0,0,1,0,0|1,0,0]=3 1214 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [1,0,0,1,0,0|2,0,0]=4 1215 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [1,0,0,1,0,0|2,0,0]=4 1216 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [1,0,0,1,0,0|2,0,0]=4 1217 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,1,0,0|2,0,0]=4 1218 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,1,0,0|2,0,0]=4 1219 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [1,0,0,1,0,0|1,0,0]=3 1220 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [1,0,0,1,0,0|1,0,0]=3 1221 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [1,0,0,1,0,0|1,0,0]=3 1222 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [1,0,0,1,0,0|1,0,0]=3 1223 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [1,0,0,1,0,0|1,0,0]=3 1224 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [1,0,0,1,0,0|2,0,0]=4 1225 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [1,0,0,1,0,0|2,0,0]=4 1226 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [1,0,0,1,0,0|2,0,0]=4 1227 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [1,0,0,1,0,0|2,0,0]=4 1228 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [1,0,0,1,0,0|2,0,0]=4 1229 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [1,0,0,1,0,0|2,0,0]=4 1230 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [1,0,0,1,0,0|2,0,0]=4 1231 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [1,0,0,1,0,0|2,0,0]=4 1232 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [1,0,0,1,0,0|2,0,0]=4 1233 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [1,0,0,1,0,0|2,0,0]=4 1234 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [1,0,0,1,0,0|2,0,0]=4 1235 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [1,0,0,1,0,0|2,0,0]=4 1236 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [1,0,0,1,0,0|2,0,0]=4 1237 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [1,0,0,1,0,0|2,0,0]=4 1238 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [1,0,0,1,0,0|2,0,0]=4 1239 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [1,0,0,1,0,0|2,0,0]=4 1240 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [1,0,0,1,0,0|2,0,0]=4 1241 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [1,0,0,1,0,0|2,0,0]=4 1242 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [1,0,0,1,0,0|2,0,0]=4 1243 B9R1.69 C=C1CCC(=O)NC1=O MCULE-9917847735 [1,0,0,1,0,0|1,0,1]=4 1244 B9R1.69 CC1CCC(=O)CC1=O MCULE-6498795822 [1,0,0,1,0,0|2,0,0]=4 1245 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [1,0,0,1,0,0|1,0,0]=3 1246 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [1,0,0,1,0,0|1,0,1]=4 1247 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [1,0,0,1,0,0|1,0,1]=4 1248 B9R1.69 CN1CCC(=O)NC1=O MCULE-1338210074 [1,0,0,1,0,0|2,0,0]=4 1249 B9R1.69 NC1C=NC(=O)NC1=O MCULE-1490641488 [1,0,0,1,0,0|1,0,1]=4 1250 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [1,0,0,1,0,0|0,0,0]=2 1251 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [1,0,0,1,0,0|0,0,0]=2 1252 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [1,0,0,1,0,0|0,0,0]=2 1253 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [1,0,0,1,0,0|0,0,0]=2 1254 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [1,0,0,1,0,0|0,0,0]=2 1255 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [1,0,0,1,0,0|0,0,0]=2 1256 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [1,0,0,1,0,0|0,0,0]=2 1257 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [1,0,0,1,0,0|0,0,0]=2 1258 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [1,0,0,1,0,0|0,0,0]=2 1259 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [1,0,0,1,0,0|0,0,0]=2 1260 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [1,0,0,1,0,0|0,0,0]=2 1261 B9R1.69 O=C1CCC(C(=O)N1)Br MCULE-2957692520 [1,0,0,1,0,0|1,0,0]=3 1262 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [1,0,0,1,0,0|2,0,0]=4 1263 B9R1.69 O=C1NCC(C(=O)N1)Br MCULE-1399084699 [1,0,0,1,0,0|2,0,0]=4 1264 B9R1.69 O=C1NCC(C(=O)N1)Cl MCULE-3522626760 [1,0,0,1,0,0|2,0,0]=4 1265 B9R1.69 O=C1NCC(C(=O)N1)F MCULE-3119054190 [1,0,0,1,0,0|2,0,0]=4 1266 B9R1.69 [NH3+]C1CCC(=O)NC1=O MCULE-8832573768 [1,0,0,1,0,0|0,0,1]=3 1267 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [1,0,0,1,0,0|2,0,0]=4 1268 B9R1.110 NC(=O)C(N)C1CCC1 MCULE-3518352563 [1,0,0,1,0,0|1,0,1]=4 1269 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-3167502244 [1,0,0,1,0,0|1,0,1]=4 1270 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-8140131300 [1,0,0,1,0,0|1,0,1]=4 1271 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-4142673004 [1,0,0,1,0,0|1,0,1]=4 1272 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-6535973441 [1,0,0,1,0,0|1,0,1]=4 1273 B9R1.163 NC(=O)C1(CCCC1)N MCULE-1603183997 [1,0,0,1,0,0|1,0,1]=4 1274 B9R1.163 NC(=O)C1(CCCC1)N MCULE-6535833155 [1,0,0,1,0,0|1,0,1]=4 1275 B9R1.163 NC(=O)C1(CCSC1)N MCULE-1255795217 [1,0,0,1,0,0|2,0,0]=4 1276 B9R1.1 O=CC1CCC(=O)CC1 MCULE-3607149578 [1,0,0,1,0,0|2,0,0]=4 1277 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [1,0,0,1,0,0|2,0,0]=4 1278 B9R1.125 C=CC1(CCC(=O)O1)C MCULE-6337213328 [1,0,0,1,0,0|2,0,0]=4 1279 B9R1.53 CC(=O)OC1CC(=O)N1 MCULE-7042794483 [1,0,0,1,0,0|2,0,0]=4 1280 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [1,0,0,1,0,0|1,0,1]=4 1281 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [1,0,0,1,0,0|1,0,1]=4 1282 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [1,0,0,1,0,0|1,0,1]=4 1283 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [1,0,0,1,0,0|1,0,1]=4 1284 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [1,0,0,1,0,0|1,0,1]=4 1285 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [1,0,0,1,0,0|1,0,1]=4 1286 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [1,0,0,1,0,0|1,0,0]=3 1287 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [1,0,0,1,0,0|0,0,0]=2 1288 B9R1.66 O=C1CCCS(=O)(=O)N1 MCULE-4670322076 [1,0,0,1,0,0|1,0,1]=4 1289 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [1,0,0,1,0,0|0,0,0]=2 1290 B9R1.161 NC(=O)C1CC1N(=O)=O MCULE-9623268033 [1,0,0,1,0,0|1,0,1]=4 1291 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [1,0,0,1,0,0|1,0,0]=3 1292 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [1,0,0,1,0,0|2,0,0]=4 1293 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [1,0,0,1,0,0|2,0,0]=4 1294 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [1,0,0,1,0,0|1,0,0]=3 1295 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [1,0,0,1,0,0|1,0,0]=3 1296 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [1,0,0,1,0,0|1,0,0]=3 1297 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [1,0,0,1,0,0|2,0,0]=4 1298 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [1,0,0,1,0,0|2,0,0]=4 1299 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [1,0,0,1,0,0|1,0,0]=3 1300 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [1,0,0,1,0,0|1,0,0]=3 1301 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] MCULE-1350888359 [1,0,0,1,0,0|2,0,0]=4 1302 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [1,0,0,1,0,0|1,0,0]=3 1303 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [1,0,0,1,0,0|2,0,0]=4 1304 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [1,0,0,1,0,0|2,0,0]=4 1305 B9R1.36 NC1CS(=O)(=O)NC1=O MCULE-5308687626 [0,0,0,1,1,0|1,0,1]=4 1306 B9R1.36 NC1CS(=O)(=O)NC1=O MCULE-7250097397 [0,0,0,1,1,0|1,0,1]=4 1307 B11R1.74 CC1CC(NC(=S)N1)C(=O)O MCULE-6244565305 [0,0,0,1,0,1|1,1,0]=4 1308 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)O MCULE-3527131237 [0,0,0,1,0,1|1,1,0]=4 1309 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)O MCULE-5042056278 [0,0,0,1,0,1|1,1,0]=4 1310 B11R1.74 O=C1CC(NC(=O)N1)C(=O)O MCULE-8091289320 [0,0,0,1,0,1|1,0,1]=4 1311 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-4074220021 [0,0,0,1,0,1|1,0,1]=4 1312 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-7764195040 [0,0,0,1,0,1|1,0,1]=4 1313 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-6513392402 [0,0,0,1,0,1|1,0,1]=4 1314 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-7404763627 [0,0,0,1,0,1|1,0,1]=4 1315 B11R1.75 O=C(O)CCC1=CC(=O)NO1 MCULE-1230469268 [0,0,0,1,0,1|1,0,1]=4 1316 B11R1.75 O=C(O)CCC1=CNC(=O)N1 MCULE-2706002292 [0,0,0,1,0,1|1,0,1]=4 1317 B11R1.75 O=C(O)CCC1CCC(=O)C1 MCULE-4974585357 [0,0,0,1,0,1|2,0,0]=4 1318 B11R1.75 O=C(O)CCC1CCC(=O)N1 MCULE-5441119091 [0,0,0,1,0,1|2,0,0]=4 1319 B11R1.75 O=C(O)CCC1CCC(=O)O1 MCULE-8294926143 [0,0,0,1,0,1|2,0,0]=4 1320 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)O1 MCULE-3037208101 [0,0,0,1,0,1|2,0,0]=4 1321 B11R1.75 O=C(O)CSC1=NC(=O)NN1 MCULE-1590647286 [0,0,0,1,0,1|1,0,1]=4 1322 B11R1.645 O=C(O)CC1NC(=O)NC1=O MCULE-4472768936 [0,0,0,1,0,1|1,0,1]=4 1323 B11R1.645 O=C(O)C[C@@H]1NC(=O)NC1=O MCULE-3659340200 [0,0,0,1,0,1|1,0,1]=4 1324 B11R1.645 O=C(O)C[C@@H]1NC(=O)NC1=O MCULE-7657913540 [0,0,0,1,0,1|1,0,1]=4 1325 B11R1.740 O=C(O)CC1CC1CC(=O)O MCULE-8348402050 [0,0,0,1,0,1|2,0,0]=4 1326 B11R1.21 CC1SCC(NC1=O)C(=O)O MCULE-5715274470 [0,0,0,1,0,1|1,0,0]=3 1327 B11R1.175 NC(=O)C1CCC(C1)C(=O)N MCULE-8767684892 [0,0,0,1,0,1|2,0,0]=4 1328 B11R1.175 NC(=O)C1CCC(C1)C(=O)O MCULE-6317737981 [0,0,0,1,0,1|1,0,0]=3 1329 B11R1.175 NC(=O)C1CCC(S1)C(=O)N MCULE-1885586090 [0,0,0,1,0,1|2,0,0]=4 1330 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9051441174 [0,0,0,1,0,1|1,0,0]=3 1331 B11R1.175 NC(=O)[C@@H]1CC[C@@H](S1)C(=O)N MCULE-2420598596 [0,0,0,1,0,1|2,0,0]=4 1332 B11R1.175 O=C(O)C1CCC(C1)C(=O)O MCULE-5582697343 [0,0,0,1,0,1|2,0,0]=4 1333 B11R1.175 O=C(O)C1CCC(O1)C(=O)O MCULE-3136124682 [0,0,0,1,0,1|2,0,0]=4 1334 B11R1.175 O=C(O)C1CNC(C1)C(=O)O MCULE-8937278367 [0,0,0,1,0,1|2,0,0]=4 1335 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,0,0,1,0,1|1,0,0]=3 1336 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,0,0,1,0,1|1,0,0]=3 1337 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-5651042358 [0,0,0,1,0,1|2,0,0]=4 1338 B11R1.175 O=C(O)[C@@H]1CC[C@H](C1)C(=O)O MCULE-4158551450 [0,0,0,1,0,1|2,0,0]=4 1339 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1390451256 [0,0,0,1,0,1|2,0,0]=4 1340 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7979026465 [0,0,0,1,0,1|2,0,0]=4 1341 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-9063795349 [0,0,0,1,0,1|2,0,0]=4 1342 B11R1.175 O=C(O)[C@@H]1CN[C@H](C1)C(=O)O MCULE-5420917584 [0,0,0,1,0,1|2,0,0]=4 1343 B11R1.175 O=C(O)[C@@H]1C[C@H](CN1)C(=O)O MCULE-2467535885 [0,0,0,1,0,1|2,0,0]=4 1344 B11R1.175 O=C(O)[C@H]1CC[C@@H](C1)C(=O)O MCULE-1705160233 [0,0,0,1,0,1|2,0,0]=4 1345 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O MCULE-9410279128 [0,0,0,1,0,1|2,0,0]=4 1346 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,0,1|1,0,0]=3 1347 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,0,0,1,0,1|1,0,0]=3 1348 B11R1.704 [C@@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-9452045165 [0,0,0,1,0,1|1,0,0]=3 1349 B11R1.704 [C@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-8026317060 [0,0,0,1,0,1|1,0,0]=3 1350 B11R1.644 CC1(C[C@H](NC1=O)C(=O)O)C MCULE-2222423646 [0,1,0,1,0,0|1,0,0]=3 1351 B11R1.672 CN1CC(N(C1=O)C)C(=O)O MCULE-3409101701 [0,1,0,1,0,0|2,0,0]=4 1352 B11R1.672 CN1C[C@H](N(C1=O)C)C(=O)O MCULE-6289054025 [0,1,0,1,0,0|2,0,0]=4 1353 B11R1.672 CN1C[C@H](N(C1=O)C)C(=O)O MCULE-8053584866 [0,1,0,1,0,0|2,0,0]=4 1354 B11R1.220 NC1(CCC(=O)CC1)C(=O)O MCULE-6857901798 [0,1,0,1,0,0|2,0,0]=4 1355 B11R1.1389 NC1(CC(C1)C(=O)O)C(=O)O MCULE-1543172703 [0,1,0,1,0,0|1,0,0]=3 1356 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O MCULE-6569163998 [0,1,0,1,0,0|1,0,0]=3 1357 B11R1.1389 N[C@@]1(C[C@H](C1)C(=O)O)C(=O)O MCULE-3442699763 [0,1,0,1,0,0|1,0,0]=3 1358 B11R1.90 O=C(O)CCC1CCOC1=O MCULE-3104209963 [0,1,0,1,0,0|2,0,0]=4 1359 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O MCULE-2958186568 [0,1,0,1,0,0|2,0,0]=4 1360 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O MCULE-6300691450 [0,1,0,1,0,0|2,0,0]=4 1361 B11R1.853 COC(=O)C1CC(C1)C(=O)O MCULE-6425737082 [0,1,0,1,0,0|2,0,0]=4 1362 B11R1.853 COC(=O)[C@H]1C[C@@H](C1)C(=O)O MCULE-2129678369 [0,1,0,1,0,0|2,0,0]=4 1363 B11R1.853 COC(=O)[C@H]1C[C@H](C1)C(=O)O MCULE-9739121290 [0,1,0,1,0,0|2,0,0]=4 1364 B11R1.226 COC(=O)[C@@H]1C[C@@H](C(=O)N1)O MCULE-1924620912 [0,1,0,1,0,0|1,0,0]=3 1365 B11R1.226 COC(=O)[C@@H]1C[C@H](C(=O)N1)O MCULE-6174114389 [0,1,0,1,0,0|1,0,0]=3 1366 B11R1.226 COC(=O)[C@@H]1C[C@H](C(=O)N1)O MCULE-7981334019 [0,1,0,1,0,0|1,0,0]=3 1367 B11R1.1270 CN1C(=O)CCC1(C)C(=O)N MCULE-7570051566 [0,1,0,1,0,0|2,0,0]=4 1368 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,0,0,0,1,0|1,0,1]=4 1369 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,0,0,0,1,0|2,0,0]=4 1370 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [1,0,0,0,1,0|1,0,0]=3 1371 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [1,0,0,0,1,0|1,0,0]=3 1372 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,0,0,0,1,0|2,0,0]=4 1373 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [1,0,0,0,1,0|2,0,0]=4 1374 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [1,0,0,0,1,0|2,0,0]=4 1375 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [1,0,0,0,1,0|1,0,1]=4 1376 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [1,0,0,0,1,0|1,0,1]=4 1377 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,0,0,0,1,0|1,0,1]=4 1378 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,0,0,0,1,0|1,0,1]=4 1379 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,0,0,0,1,0|1,0,1]=4 1380 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,0,0,0,1,0|1,0,1]=4 1381 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,0,0,0,1,0|1,0,1]=4 1382 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,0,0,0,1,0|1,0,1]=4 1383 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,0,0,0,1,0|1,0,1]=4 1384 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,0,0,0,1,0|1,0,1]=4 1385 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,0,0,0,1,0|1,0,1]=4 1386 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,0,0,0,1,0|1,0,1]=4 1387 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,0,0,0,1,0|2,0,0]=4 1388 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [1,0,0,0,1,0|1,0,1]=4 1389 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [1,0,0,0,1,0|1,0,1]=4 1390 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,0,0,0,1,0|0,0,2]=4 1391 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,0,0,0,1,0|0,0,2]=4 1392 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,0,0,0,1,0|0,0,2]=4 1393 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,0,0,0,1,0|0,0,1]=3 1394 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,0,0,0,1,0|0,0,1]=3 1395 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,0,0,0,1,0|1,0,1]=4 1396 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,0,0,0,1,0|0,0,1]=3 1397 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,0,0,0,1,0|0,0,1]=3 1398 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,0,0,0,1,0|1,0,1]=4 1399 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,0,0,0,1,0|1,0,1]=4 1400 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,0,0,0,1,0|0,0,1]=3 1401 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,0,0,0,1,0|0,0,1]=3 1402 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,0,0,0,1,0|1,0,1]=4 1403 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,0,0,0,1,0|1,0,1]=4 1404 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,0,0,0,1,0|0,0,2]=4 1405 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,0,0,0,1,0|0,0,2]=4 1406 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,0,0,0,1,0|0,0,2]=4 1407 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,0,0,0,1,0|0,0,2]=4 1408 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,0,0,0,1,0|2,0,0]=4 1409 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,0,0,0,2,0|2,0,0]=4 1410 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,0,0,0,2,0|2,0,0]=4 1411 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,0,0,0,2,0|2,0,0]=4 1412 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,0,0,0,2,0|2,0,0]=4 1413 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,0,0,0,2,0|2,0,0]=4 1414 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,0,0,0,2,0|2,0,0]=4 1415 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,0,0,0,2,0|2,0,0]=4 1416 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,0,0,0,2,0|2,0,0]=4 1417 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,0,0,0,2,0|2,0,0]=4 1418 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,0,0,0,2,0|2,0,0]=4 1419 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,0,0,0,2,0|2,0,0]=4 1420 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,0,0,0,2,0|2,0,0]=4 1421 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,0,0,0,2,0|1,0,1]=4 1422 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,0,0,0,2,0|1,0,1]=4 1423 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,0,0,0,2,0|1,0,1]=4 1424 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,0,0,0,2,0|1,0,1]=4 1425 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,0,0,0,2,0|1,0,1]=4 1426 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,0,0,0,2,0|1,0,1]=4 1427 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,0,0,0,2,0|1,0,1]=4 1428 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,0,0,0,2,0|1,0,1]=4 1429 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,0,0,0,2,0|1,0,1]=4 1430 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,0,0,0,2,0|1,0,1]=4 1431 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,0,0,0,2,0|1,0,1]=4 1432 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,0,0,0,2,0|2,0,0]=4 1433 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,0,0,0,2,0|1,0,0]=3 1434 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,0,0,0,2,0|1,0,0]=3 1435 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,0,0,0,2,0|2,0,0]=4 1436 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,0,0,0,2,0|2,0,0]=4 1437 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,0,0,0,2,0|2,0,0]=4 1438 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [1,0,0,0,0,1|2,0,0]=4 1439 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [1,0,0,0,0,1|2,0,0]=4 1440 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [1,0,0,0,0,1|2,0,0]=4 1441 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [1,0,0,0,0,1|2,0,0]=4 1442 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [1,0,0,0,0,1|2,0,0]=4 1443 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [1,0,0,0,0,1|2,0,0]=4 1444 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [1,0,0,0,0,1|2,0,0]=4 1445 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [1,0,0,0,0,1|1,0,0]=3 1446 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [1,0,0,0,0,1|2,0,0]=4 1447 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [1,0,0,0,0,1|1,0,0]=3 1448 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [1,0,0,0,0,1|1,0,0]=3 1449 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [1,0,0,0,0,1|1,0,0]=3 1450 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [1,0,0,0,0,1|1,0,1]=4 1451 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [1,0,0,0,0,1|1,0,1]=4 1452 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [1,0,0,0,0,1|1,0,0]=3 1453 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [1,0,0,0,0,1|1,0,0]=3 1454 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [1,0,0,0,0,1|0,0,0]=2 1455 B9R0.55 NC(=O)CCCN=C(N)N MCULE-3216497199 [1,0,0,0,0,1|2,0,0]=4 1456 B9R0.55 NC(=O)CCCN=C(N)N MCULE-6570668893 [1,0,0,0,0,1|2,0,0]=4 1457 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [1,0,0,0,0,1|1,0,0]=3 1458 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [1,0,0,0,0,1|0,0,0]=2 1459 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [1,0,0,0,0,1|0,0,0]=2 1460 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [1,0,0,0,0,1|2,0,0]=4 1461 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [1,0,0,0,0,1|1,0,1]=4 1462 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [1,0,0,0,0,1|1,0,1]=4 1463 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [1,0,0,0,0,1|1,0,1]=4 1464 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [1,0,0,0,0,1|1,0,1]=4 1465 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [1,0,0,0,0,1|1,0,0]=3 1466 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [1,0,0,0,0,1|1,0,0]=3 1467 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [1,0,0,0,0,1|1,0,0]=3 1468 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [1,0,0,0,0,1|1,0,0]=3 1469 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [1,0,0,0,0,1|1,0,0]=3 1470 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [1,0,0,0,0,1|2,0,0]=4 1471 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [1,0,0,0,0,1|2,0,0]=4 1472 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [1,0,0,0,0,1|2,0,0]=4 1473 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [1,0,0,0,0,1|1,0,0]=3 1474 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [1,0,0,0,0,1|1,0,0]=3 1475 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [1,0,0,0,0,1|1,0,0]=3 1476 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [1,0,0,0,0,1|1,0,1]=4 1477 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [1,0,0,0,0,1|1,0,1]=4 1478 B11R0.85 CC(=NNC(=O)N)CCC(=O)O MCULE-6610092193 [0,0,0,0,0,2|1,0,1]=4 1479 B11R0.85 NC(=O)CNC(=O)CCC(=O)O MCULE-2519011568 [0,0,0,0,0,2|1,0,1]=4 1480 B11R0.85 NC(CCC(=O)O)CCC(=O)O MCULE-1718560114 [0,0,0,0,0,2|1,0,0]=3 1481 B11R0.29 CC(=O)C(C)CCCCC(=O)O MCULE-7016988868 [0,0,0,0,0,2|2,0,0]=4 1482 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,0,0,0,0,2|2,0,0]=4 1483 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,0,0,0,0,2|2,0,0]=4 1484 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,0,0,0,0,2|2,0,0]=4 1485 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-1098301355 [0,0,0,0,0,2|1,0,0]=3 1486 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-3518739302 [0,0,0,0,0,2|1,0,0]=3 1487 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [0,0,0,0,0,2|2,0,0]=4 1488 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [0,0,0,0,0,2|2,0,0]=4 1489 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [0,0,0,0,0,2|2,0,0]=4 1490 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [0,0,0,0,0,2|2,0,0]=4 1491 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [0,0,0,0,0,2|2,0,0]=4 1492 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [0,0,0,0,0,2|2,0,0]=4 1493 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-1846985795 [0,0,0,0,0,2|1,0,0]=3 1494 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-2934599717 [0,0,0,0,0,2|1,0,0]=3 1495 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-3474712900 [0,0,0,0,0,2|1,0,0]=3 1496 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-7235564115 [0,0,0,0,0,2|1,0,0]=3 1497 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [0,0,0,0,0,2|2,0,0]=4 1498 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-2053250402 [0,0,0,0,0,2|2,0,0]=4 1499 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-4188771186 [0,0,0,0,0,2|2,0,0]=4 1500 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8070047581 [0,0,0,0,0,2|2,0,0]=4 1501 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8751936684 [0,0,0,0,0,2|2,0,0]=4 1502 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-2060853069 [0,0,0,0,0,2|2,0,0]=4 1503 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-3460042117 [0,0,0,0,0,2|2,0,0]=4 1504 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-5810103294 [0,0,0,0,0,2|2,0,0]=4 1505 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-7789670505 [0,0,0,0,0,2|2,0,0]=4 1506 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-5320558657 [0,0,0,0,0,2|2,0,0]=4 1507 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-9567284529 [0,0,0,0,0,2|2,0,0]=4 1508 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,0,0,0,0,2|2,0,0]=4 1509 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,0,0,0,0,2|2,0,0]=4 1510 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,0,0,0,0,2|2,0,0]=4 1511 B11R0.29 NC(=O)NCCCC(N)C(=O)S MCULE-6427757419 [0,0,0,0,0,2|2,0,0]=4 1512 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,0,0,0,0,2|2,0,0]=4 1513 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,0,0,0,0,2|2,0,0]=4 1514 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,0,0,0,0,2|2,0,0]=4 1515 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,0,0,0,0,2|2,0,0]=4 1516 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,0,0,0,0,2|2,0,0]=4 1517 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,0,0,0,0,2|1,0,0]=3 1518 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,0,0,0,0,2|1,0,0]=3 1519 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,0,0,0,0,2|1,0,0]=3 1520 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,0,0,0,0,2|1,0,0]=3 1521 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,0,0,0,0,2|1,0,0]=3 1522 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,0,0,0,0,2|1,0,0]=3 1523 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,0,0,0,0,2|1,0,0]=3 1524 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,0,0,0,0,2|1,0,0]=3 1525 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,0,0,0,0,2|1,0,0]=3 1526 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [0,0,0,0,0,2|2,0,0]=4 1527 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [0,0,0,0,0,2|2,0,0]=4