0 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.7 C/C(=N/NC(=O)N)/C(=O)O MCULE-9321060192 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.7 C/C(=N\NC(=O)N)/C(=O)O MCULE-7459723879 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.7 C=C(C)C(=O)NCC(=O)O MCULE-9965285150 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-3833333239 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-5949669555 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.7 C=C(Cl)COC(=O)C(=O)Cl MCULE-9198376826 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.7 C=C(Cl)COC(=O)C(=O)F MCULE-8592691011 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.7 CC(=NNC(=O)N)C(=O)O MCULE-9419629764 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.7 CC(=O)NN=C(C)C(=O)O MCULE-4949211950 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.7 CC(C)C(=O)CCC(=O)O MCULE-9072643820 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.7 CC(C)C(=O)NCC(=O)O MCULE-8263786936 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.7 CC(C)CNC(=O)C(=O)O MCULE-4401645596 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,0,0,0,0,0|1,0,1]=2 37 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,0,0,0,0,0|1,0,1]=2 38 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.7 CC(Cl)C(=O)NCC(=O)O MCULE-9908034208 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.7 CC(N)C(=O)NCC(=O)O MCULE-5334499783 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,0,0,0,0,0|2,0,1]=3 42 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,0,0,0,0,0|2,0,1]=3 43 B9R0.7 CC(S)C(=O)NCC(=O)O MCULE-8593628629 [0,0,0,0,0,0|2,1,1]=4 44 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,0,0,0,0,0|2,0,1]=3 45 B9R0.7 CN(C)C(=O)CCC(=O)O MCULE-7236596707 [0,0,0,0,0,0|3,0,0]=3 46 B9R0.7 CN(C)C(=O)NCC(=O)O MCULE-9308369846 [0,0,0,0,0,0|4,0,0]=4 47 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,0,0,0,0,0|1,0,1]=2 54 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-1572586456 [0,0,0,0,0,0|3,0,1]=4 55 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-2334963197 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-3041567092 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-5810433569 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,0,0,0,0,0|1,0,1]=2 59 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,0,0,0,0,0|1,0,1]=2 60 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-1231323853 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-6793382418 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,0,0,0,0,0|2,0,1]=3 64 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.7 C[C@H](S)C(=O)NCC(=O)O MCULE-3909668002 [0,0,0,0,0,0|2,1,1]=4 66 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,0,0,0,0,0|2,0,1]=3 67 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,0,0,0,0,0|2,0,1]=3 68 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,0,0,0,0,0|2,0,1]=3 69 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,0,0,0,0,0|3,0,1]=4 70 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,0,0,0,0,0|3,0,1]=4 73 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,0,0,0,0,0|2,0,1]=3 74 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,0,0,0,0,0|2,0,1]=3 75 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,0,0,0,0,0|2,0,1]=3 80 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,0,0,0,0,0|2,0,1]=3 81 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,0,0,0,0,0|3,0,1]=4 87 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,0,0,0,0,0|2,0,1]=3 88 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,0,0,0,0,0|2,0,1]=3 89 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,0,0,0,0,0|2,0,1]=3 90 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,0,0,0,0,0|2,0,1]=3 91 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,0,0,0,0,0|2,0,1]=3 92 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,0,0,0,0,0|2,0,1]=3 93 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,0,0|1,0,1]=2 94 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,0,0|1,0,1]=2 95 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,0,0|1,0,1]=2 96 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,0,0,0,0,0|1,0,2]=3 97 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,0,0|1,0,1]=2 98 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,0,0|1,0,1]=2 99 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,0,0|1,0,1]=2 100 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,0,0|1,0,1]=2 101 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,0,0|1,0,1]=2 102 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,0,0,0,0,0|1,0,2]=3 103 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,0,0,0,0,0|1,0,3]=4 104 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,0,0,0,0,0|1,0,2]=3 105 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,0,0,0,0,0|1,0,2]=3 106 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,0,0|1,0,1]=2 107 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,0,0|1,0,1]=2 108 B9R0.7 O=C(O)C(=O)NCC(F)F MCULE-1990819986 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.7 O=C(O)CCC(=C(F)F)F MCULE-4570016016 [0,0,0,0,0,0|3,0,0]=3 110 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,0,0,0,0,0|0,0,0]=0 111 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,0,0,0,0,0|0,0,1]=1 112 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,0,0,0,0,0|1,0,1]=2 113 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,0,0,0,0,0|0,0,2]=2 114 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,0,0,0,0,0|0,0,2]=2 115 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,0,0,0,0,0|0,0,2]=2 116 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,0,0,0,0,0|1,0,1]=2 117 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,0,0,0,0,0|1,0,1]=2 118 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,0,0,0,0,0|1,0,1]=2 119 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,0,0,0,0,0|0,0,2]=2 120 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,0,0,0,0,0|1,0,0]=1 121 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,0,0,0,0,0|0,0,1]=1 122 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-2857630880 [0,0,0,0,0,0|0,0,2]=2 123 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-7607570800 [0,0,0,0,0,0|0,0,2]=2 124 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,0,0,0,0,0|0,0,4]=4 125 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,0,0,0,0,0|0,0,4]=4 126 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,0,0,0,0,0|0,0,4]=4 127 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,0,0,0,0,0|0,0,4]=4 128 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,0,0,0,0,0|0,0,4]=4 129 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,0,0,0,0,0|0,0,4]=4 130 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,0,0,0,0,0|0,0,4]=4 131 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,0,0,0,0,0|2,0,1]=3 132 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,0,0,0,0,0|2,0,1]=3 133 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,0,0|1,0,1]=2 134 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,0,0,0,0,0|3,0,1]=4 135 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,0,0,0,0,0|0,0,2]=2 136 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [0,0,0,0,0,0|1,0,3]=4 137 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [1,0,0,0,0,0|1,0,0]=2 138 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [1,0,0,0,0,0|2,0,1]=4 139 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [1,0,0,0,0,0|2,0,1]=4 141 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [1,0,0,0,0,0|2,0,1]=4 142 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [1,0,0,0,0,0|2,0,1]=4 143 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [1,0,0,0,0,0|2,0,1]=4 144 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [1,0,0,0,0,0|2,0,1]=4 145 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [1,0,0,0,0,0|2,0,1]=4 146 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [1,0,0,0,0,0|2,0,1]=4 147 B8R0.8 C=CCOC(=O)C(=O)Cl MCULE-8229700596 [1,0,0,0,0,0|3,0,0]=4 148 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [1,0,0,0,0,0|2,0,1]=4 149 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [1,0,0,0,0,0|1,0,1]=3 150 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [1,0,0,0,0,0|1,0,2]=4 151 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [1,0,0,0,0,0|2,0,1]=4 152 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [1,0,0,0,0,0|2,0,0]=3 153 B8R0.8 CSCCC(=O)C(=O)[O-] MCULE-4931776455 [1,0,0,0,0,0|2,0,1]=4 154 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [1,0,0,0,0,0|1,0,2]=4 155 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [1,0,0,0,0,0|1,0,2]=4 156 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [1,0,0,0,0,0|1,0,2]=4 157 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [1,0,0,0,0,0|0,0,3]=4 158 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [1,0,0,0,0,0|2,0,1]=4 159 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [1,0,0,0,0,0|2,0,1]=4 160 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.9 C=CC(=O)NCC(=O)N MCULE-4638561901 [1,0,0,0,0,0|3,0,0]=4 162 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [1,0,0,0,0,0|2,0,0]=3 163 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [1,0,0,0,0,0|2,0,1]=4 164 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [1,0,0,0,0,0|2,0,1]=4 165 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [1,0,0,0,0,0|2,0,1]=4 166 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [1,0,0,0,0,0|2,0,1]=4 167 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [1,0,0,0,0,0|2,0,1]=4 168 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [1,0,0,0,0,0|2,0,0]=3 169 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [1,0,0,0,0,0|2,0,1]=4 170 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [1,0,0,0,0,0|1,0,1]=3 171 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [1,0,0,0,0,0|2,0,1]=4 172 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [1,0,0,0,0,0|2,0,1]=4 173 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [1,0,0,0,0,0|2,0,0]=3 174 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [1,0,0,0,0,0|3,0,0]=4 175 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [1,0,0,0,0,0|3,0,0]=4 177 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [1,0,0,0,0,0|3,0,0]=4 178 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [1,0,0,0,0,0|2,0,0]=3 179 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [1,0,0,0,0,0|3,0,0]=4 181 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [1,0,0,0,0,0|1,0,1]=3 182 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [1,0,0,0,0,0|1,0,1]=3 183 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [1,0,0,0,0,0|1,0,1]=3 184 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.9 NNC(=O)CCC(=O)N MCULE-9710004878 [1,0,0,0,0,0|3,0,0]=4 187 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [1,0,0,0,0,0|2,0,0]=3 188 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [1,0,0,0,0,0|2,0,0]=3 189 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [1,0,0,0,0,0|3,0,0]=4 190 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [1,0,0,0,0,0|3,0,0]=4 191 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [1,0,0,0,0,0|1,0,2]=4 192 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [1,0,0,0,0,0|1,0,2]=4 193 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [1,0,0,0,0,0|1,0,1]=3 194 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [1,0,0,0,0,0|1,0,0]=2 195 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [1,0,0,0,0,0|1,0,1]=3 196 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [1,0,0,0,0,0|2,0,1]=4 197 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [1,0,0,0,0,0|1,0,1]=3 198 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [1,0,0,0,0,0|2,0,1]=4 199 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [1,0,0,0,0,0|2,0,1]=4 200 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [1,0,0,0,0,0|2,0,1]=4 201 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [1,0,0,0,0,0|2,0,0]=3 202 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [1,0,0,0,0,0|1,0,1]=3 203 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [1,0,0,0,0,0|2,0,1]=4 205 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [1,0,0,0,0,0|2,0,1]=4 206 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [1,0,0,0,0,0|1,0,1]=3 207 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [1,0,0,0,0,0|3,0,0]=4 208 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [1,0,0,0,0,0|3,0,0]=4 209 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [1,0,0,0,0,0|2,0,0]=3 210 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [1,0,0,0,0,0|2,0,0]=3 211 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [1,0,0,0,0,0|2,0,0]=3 213 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,0,0,0,0,0|1,0,2]=4 214 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [1,0,0,0,0,0|3,0,0]=4 215 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [1,0,0,0,0,0|3,0,0]=4 216 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [1,0,0,0,0,0|3,0,0]=4 217 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [1,0,0,0,0,0|2,1,0]=4 218 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [1,0,0,0,0,0|1,0,1]=3 220 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [1,0,0,0,0,0|2,0,1]=4 224 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [1,0,0,0,0,0|2,0,0]=3 225 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [1,0,0,0,0,0|3,0,0]=4 226 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [1,0,0,0,0,0|2,1,0]=4 227 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [1,0,0,0,0,0|2,0,1]=4 228 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [1,0,0,0,0,0|0,0,1]=2 229 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [1,0,0,0,0,0|0,0,1]=2 230 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [1,0,0,0,0,0|0,0,1]=2 231 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [1,0,0,0,0,0|1,0,2]=4 232 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [1,0,0,0,0,0|1,0,1]=3 233 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [1,0,0,0,0,0|1,0,1]=3 234 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [1,0,0,0,0,0|1,0,1]=3 235 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [1,0,0,0,0,0|0,0,3]=4 236 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [1,0,0,0,0,0|1,0,2]=4 237 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [1,0,0,0,0,0|1,0,2]=4 238 B10R0.12 CC(C)(C)C(=O)CCC(=O)O MCULE-4165319809 [0,1,0,0,0,0|2,0,1]=4 239 B10R0.12 O=C(O)CCC(=O)C(F)(F)F MCULE-7879185149 [0,1,0,0,0,0|2,0,1]=4 240 B10R0.12 O=C(O)CCC(=O)P(=O)(O)O MCULE-3743459791 [0,1,0,0,0,0|1,0,0]=2 241 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,1,0,0,0,0|2,0,1]=4 242 B10R0.13 CN(CC(=O)O)C(=O)C(=O)O MCULE-2539412176 [0,1,0,0,0,0|1,0,0]=2 243 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,1,0,0,0,0|1,0,1]=3 244 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,1,0,0,0,0|1,0,1]=3 245 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,1,0,0,0,0|1,0,1]=3 246 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,1,0,0,0,0|1,0,1]=3 247 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,1,0,0,0,0|1,0,1]=3 248 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,1,0,0,0,0|1,0,1]=3 249 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,1,0,0,0,0|0,0,3]=4 250 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,1,0,0,0,0|0,0,3]=4 251 B10R0.43 CC(=O)C(C)(C)CCC(=O)O MCULE-2019736202 [0,1,0,0,0,0|2,0,1]=4 252 B10R0.43 CC(=O)CCC(C)(C)C(=O)O MCULE-7949244890 [0,1,0,0,0,0|2,0,1]=4 253 B10R0.43 CC(C)(CCC(=O)O)C(=O)O MCULE-3722680536 [0,1,0,0,0,0|1,0,1]=3 254 B10R0.43 CC(C)(SCC(=O)O)C(=O)O MCULE-9761119610 [0,1,0,0,0,0|2,0,1]=4 255 B10R0.43 CC(N)(CCC(=O)O)C(=O)O MCULE-3734637690 [0,1,0,0,0,0|1,0,1]=3 256 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O MCULE-5201150112 [0,1,0,0,0,0|1,0,1]=3 257 B10R0.43 O=C(O)CCC(F)(F)C(=O)O MCULE-3909124499 [0,1,0,0,0,0|1,0,1]=3 258 B10R0.57 C(N)(CCC(=O)O)C(=O)OC MCULE-6082605624 [0,1,0,0,0,0|1,0,1]=3 259 B10R0.57 C=C(COC(=O)C)C(=O)OC MCULE-4030960390 [0,1,0,0,0,0|3,0,0]=4 260 B10R0.57 CC=C(C)C(=O)NCC(=O)O MCULE-8496586597 [0,1,0,0,0,0|3,0,0]=4 261 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-3871381696 [0,1,0,0,0,0|2,0,1]=4 262 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-6424537354 [0,1,0,0,0,0|2,0,1]=4 263 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-3294558028 [0,1,0,0,0,0|1,0,1]=3 264 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-4645787805 [0,1,0,0,0,0|1,0,1]=3 265 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-8573479107 [0,1,0,0,0,0|1,0,1]=3 266 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-2647128583 [0,1,0,0,0,0|2,0,1]=4 267 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-3301910394 [0,1,0,0,0,0|2,0,1]=4 268 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-6377888321 [0,1,0,0,0,0|2,0,1]=4 269 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-8642069122 [0,1,0,0,0,0|2,0,1]=4 270 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3694424519 [0,1,0,0,0,0|1,0,1]=3 271 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3908913342 [0,1,0,0,0,0|1,0,1]=3 272 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-3332396919 [0,1,0,0,0,0|2,0,1]=4 273 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-4801234666 [0,1,0,0,0,0|2,0,1]=4 274 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-5791932848 [0,1,0,0,0,0|2,0,1]=4 275 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-7827323262 [0,1,0,0,0,0|2,0,1]=4 276 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-4899971591 [0,1,0,0,0,0|1,0,1]=3 277 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-5340713177 [0,1,0,0,0,0|1,0,1]=3 278 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-6573369964 [0,1,0,0,0,0|1,0,1]=3 279 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-9402335659 [0,1,0,0,0,0|1,0,1]=3 280 B10R0.57 CON(C)C(=O)CCC(=O)C MCULE-8341750575 [0,1,0,0,0,0|3,0,0]=4 281 B10R0.57 NC(CO)C(=O)NCC(=O)O MCULE-5910324391 [0,1,0,0,0,0|2,0,1]=4 282 B10R0.57 NCC(=O)C(N)CCC(=O)O MCULE-6909697909 [0,1,0,0,0,0|2,0,1]=4 283 B10R0.57 N[C@@H](CO)C(=O)NCC(=O)O MCULE-7361409108 [0,1,0,0,0,0|2,0,1]=4 284 B10R0.57 N[C@@H](CO)C(=O)NCC(=O)O MCULE-8884104065 [0,1,0,0,0,0|2,0,1]=4 285 B10R0.82 CNC(=O)CCC(N)C(=O)O MCULE-2815144960 [0,1,0,0,0,0|2,0,1]=4 286 B10R0.82 COC(=O)CCC(=O)C(C)C MCULE-3109179002 [0,1,0,0,0,0|2,0,1]=4 287 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-2008488408 [0,1,0,0,0,0|2,0,1]=4 288 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-4056733947 [0,1,0,0,0,0|2,0,1]=4 289 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1417445261 [0,1,0,0,0,0|1,0,1]=3 290 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1495018790 [0,1,0,0,0,0|1,0,1]=3 291 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-3233905582 [0,1,0,0,0,0|1,0,1]=3 292 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-4870656159 [0,1,0,0,0,0|1,0,1]=3 293 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-4563541396 [0,1,0,0,0,0|2,0,1]=4 294 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5542631622 [0,1,0,0,0,0|2,0,1]=4 295 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5671338567 [0,1,0,0,0,0|2,0,1]=4 296 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-7766792787 [0,1,0,0,0,0|2,0,1]=4 297 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-1607830290 [0,1,0,0,0,0|1,0,1]=3 298 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7380350089 [0,1,0,0,0,0|1,0,1]=3 299 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7654158848 [0,1,0,0,0,0|1,0,1]=3 300 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-8680968839 [0,1,0,0,0,0|1,0,1]=3 301 B10R0.82 NC(CCC(=O)NO)C(=O)O MCULE-9353366308 [0,1,0,0,0,0|1,0,1]=3 302 B10R0.82 NC(CCP(=O)CO)C(=O)O MCULE-2901685887 [0,1,0,0,0,0|2,0,1]=4 303 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,1,0,0,0,0|2,0,1]=4 304 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [0,1,0,0,0,0|1,0,1]=3 305 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [0,1,0,0,0,0|1,0,1]=3 306 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [0,1,0,0,0,0|2,0,1]=4 307 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [0,1,0,0,0,0|1,0,1]=3 308 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [0,1,0,0,0,0|1,0,1]=3 309 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [0,1,0,0,0,0|2,0,1]=4 310 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [0,1,0,0,0,0|1,0,1]=3 311 B10R0.84 NN=C(CCC(=O)O)C(=O)O MCULE-4661582416 [0,1,0,0,0,0|1,0,0]=2 312 B10R0.92 CC(C)(C)CCC(=O)C(=O)O MCULE-9335475635 [0,1,0,0,0,0|2,0,1]=4 313 B10R0.92 CP(=O)(O)CCC(=O)C(=O)O MCULE-1980572351 [0,1,0,0,0,0|1,0,0]=2 314 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,1,0,0,0,0|2,0,1]=4 315 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,1,0,0,0,0|2,0,1]=4 316 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,1,0,0,0,0|2,0,1]=4 317 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,1,0,0,0,0|2,0,1]=4 318 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,1,0,0,0,0|2,0,1]=4 319 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,1,0,0,0,0|2,0,1]=4 320 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,1,0,0,0,0|2,0,1]=4 321 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,1,0,0,0,0|2,0,1]=4 322 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,1,0,0,0,0|2,0,1]=4 323 B10R0.92 O=C(O)C(=O)CCC(F)(F)F MCULE-4713528394 [0,1,0,0,0,0|2,0,1]=4 324 B10R0.92 O=C(O)C(=O)COP(=O)(O)O MCULE-6558415212 [0,1,0,0,0,0|2,0,0]=3 325 B10R0.93 CC(=CC(C)C(=O)O)C(=O)O MCULE-3307721023 [0,1,0,0,0,0|1,0,1]=3 326 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,1,0,0,0,0|1,0,1]=3 327 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,1,0,0,0,0|1,0,1]=3 328 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O MCULE-6318508526 [0,1,0,0,0,0|2,0,1]=4 329 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,1,0,0,0,0|1,0,1]=3 330 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,1,0,0,0,0|1,0,1]=3 331 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,1,0,0,0,0|2,0,1]=4 332 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,1,0,0,0,0|2,0,1]=4 333 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,1,0,0,0,0|1,0,1]=3 334 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,1,0,0,0,0|1,0,1]=3 335 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,1,0,0,0,0|1,0,1]=3 336 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,1,0,0,0,0|0,0,2]=3 337 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,1,0,0,0,0|1,0,1]=3 338 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,1,0,0,0,0|1,0,1]=3 339 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,1,0,0,0,0|1,0,1]=3 340 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,1,0,0,0,0|0,0,2]=3 341 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,1,0,0,0,0|0,0,2]=3 342 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,1,0,0,0,0|1,0,1]=3 343 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,1,0,0,0,0|1,0,1]=3 344 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,1,0,0,0,0|1,0,1]=3 345 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,1,0,0,0,0|1,0,1]=3 346 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,1,0,0,0,0|1,0,1]=3 347 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,1,0,0,0,0|1,0,1]=3 348 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,1,0,0,0,0|1,0,1]=3 349 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,1,0,0,0,0|1,0,1]=3 350 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,1,0,0,0,0|0,0,2]=3 351 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,1,0,0,0,0|0,0,2]=3 352 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,1,0,0,0,0|1,0,1]=3 353 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,1,0,0,0,0|1,0,1]=3 354 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,1,0,0,0,0|1,0,1]=3 355 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,1,0,0,0,0|1,0,1]=3 356 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,1,0,0,0,0|0,0,2]=3 357 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,1,0,0,0,0|1,0,1]=3 358 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,1,0,0,0,0|1,0,2]=4 359 B10R1.13 NC(=O)C1=NNC(=O)CC1 MCULE-3762382528 [0,0,0,1,0,0|3,0,0]=4 360 B10R1.13 O=C1C=CC(=CO1)C(=O)O MCULE-9279858523 [0,0,0,1,0,0|1,0,2]=4 361 B10R1.13 O=C1CC=C(N=N1)C(=O)O MCULE-8930674606 [0,0,0,1,0,0|2,0,1]=4 362 B10R1.13 O=C1CCC(=NN1)C(=O)O MCULE-1818973372 [0,0,0,1,0,0|2,0,0]=3 363 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [0,0,0,1,0,0|2,0,1]=4 364 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [0,0,0,1,0,0|2,0,1]=4 365 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-4067834062 [0,0,0,1,0,0|2,0,1]=4 366 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-8147757527 [0,0,0,1,0,0|2,0,1]=4 367 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [0,0,0,1,0,0|2,0,1]=4 368 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [0,0,0,1,0,0|2,0,1]=4 369 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-4350301488 [0,0,0,1,0,0|2,0,1]=4 370 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-6122427477 [0,0,0,1,0,0|2,0,1]=4 371 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-7864506900 [0,0,0,1,0,0|2,0,1]=4 372 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-8690683788 [0,0,0,1,0,0|2,0,1]=4 373 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [0,0,0,1,0,0|2,0,1]=4 374 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-2845724258 [0,0,0,1,0,0|2,0,1]=4 375 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-4534690891 [0,0,0,1,0,0|2,0,1]=4 376 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-5755683417 [0,0,0,1,0,0|2,0,1]=4 377 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-6015971784 [0,0,0,1,0,0|2,0,1]=4 378 B10R1.58 CN1CC(CC1=O)C(=O)O MCULE-2604682023 [0,0,0,1,0,0|3,0,0]=4 379 B10R1.58 CN1CC(NC1=O)C(=O)O MCULE-5672121272 [0,0,0,1,0,0|3,0,0]=4 380 B10R1.58 CN1CC(OC1=O)C(=O)O MCULE-1158187923 [0,0,0,1,0,0|2,0,0]=3 381 B10R1.58 CN1C[C@@H](CC1=O)C(=O)O MCULE-4410278134 [0,0,0,1,0,0|3,0,0]=4 382 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-2436172057 [0,0,0,1,0,0|3,0,0]=4 383 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-8618404133 [0,0,0,1,0,0|3,0,0]=4 384 B10R1.58 O=C(O)C1CC(=O)N(C1)O MCULE-1951815385 [0,0,0,1,0,0|2,0,0]=3 385 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-3594620408 [0,0,0,1,0,0|2,0,1]=4 386 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-7616817872 [0,0,0,1,0,0|2,0,1]=4 387 B10R1.58 O=C1NC(CC1F)C(=O)O MCULE-5782471146 [0,0,0,1,0,0|2,0,1]=4 388 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-5667846232 [0,0,0,1,0,0|2,0,1]=4 389 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-8319847079 [0,0,0,1,0,0|2,0,1]=4 390 B10R1.83 CC1(C(=O)CC1C(=O)O)C MCULE-8654161103 [0,0,0,1,0,0|2,0,1]=4 391 B10R1.83 CC1(C(=O)C[C@@H]1C(=O)O)C MCULE-2127863353 [0,0,0,1,0,0|2,0,1]=4 392 B10R1.190 C=C1CC1CC(=O)C(=O)O MCULE-1169611562 [0,0,0,1,0,0|2,0,0]=3 393 B10R1.211 O=C(O)CCC(=O)C1CC1 MCULE-1941504047 [0,0,0,1,0,0|2,0,1]=4 394 B10R1.349 CC(=O)N1CC(C1)C(=O)O MCULE-3908865552 [0,0,0,1,0,0|3,0,0]=4 395 B10R1.349 NC(=O)N1CC(C1)C(=O)O MCULE-3854559032 [0,0,0,1,0,0|3,0,0]=4 396 B10R1.349 O=C(O)C1CC(C1)C(=O)O MCULE-7515334695 [0,0,0,1,0,0|1,0,1]=3 397 B10R1.349 O=C(O)C1CC(N1)C(=O)O MCULE-2441047831 [0,0,0,1,0,0|1,0,1]=3 398 B10R1.349 O=C(O)[C@H]1C[C@@H](C1)C(=O)O MCULE-7021077384 [0,0,0,1,0,0|1,0,1]=3 399 B10R1.349 O=C(O)[C@H]1C[C@H](C1)C(=O)O MCULE-2423808428 [0,0,0,1,0,0|1,0,1]=3 400 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,0,0,1,0,0|1,0,1]=3 401 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,0,0,1,0,0|2,0,1]=4 402 B10R1.470 CC1(CCC(=O)N1)C(=O)O MCULE-6271364258 [0,0,0,1,0,0|2,0,1]=4 403 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,0,0,1,0,0|1,0,1]=3 404 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-6399167225 [0,0,0,1,0,0|2,0,1]=4 405 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-7144294782 [0,0,0,1,0,0|2,0,1]=4 406 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6153592913 [0,0,0,1,0,0|2,0,1]=4 407 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6971506580 [0,0,0,1,0,0|2,0,1]=4 408 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,0,0,0,1,0|1,0,1]=3 409 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,0,0,0,1,0|1,0,1]=3 410 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,0,0,0,1,0|1,0,1]=3 411 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl MCULE-5964382878 [0,0,0,0,1,0|3,0,0]=4 412 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,0,0,0,1,0|1,0,0]=2 413 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,0,0,0,1,0|3,0,0]=4 414 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,0,0,0,1,0|1,0,1]=3 415 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,0,0,0,1,0|3,0,0]=4 416 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,0,0,0,1,0|2,0,1]=4 417 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,0,0,0,1,0|2,0,1]=4 418 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,0,0,0,1,0|2,0,1]=4 419 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,0,0,0,1,0|2,0,1]=4 420 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,0,0,0,1,0|2,0,1]=4 421 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,0,0,0,1,0|1,0,2]=4 422 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,0,0,0,1,0|3,0,0]=4 423 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,0,0,0,1,0|3,0,0]=4 424 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,0,0,0,1,0|2,0,1]=4 425 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,0,0,0,1,0|2,0,1]=4 426 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,0,0,0,1,0|2,0,1]=4 427 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,0,0,0,1,0|1,0,1]=3 428 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,0,0,0,1,0|1,0,1]=3 429 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,0,0,0,1,0|3,0,0]=4 430 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,0,0,0,1,0|3,0,0]=4 431 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,0,0,0,1,0|1,0,1]=3 432 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,0,0,0,1,0|1,0,1]=3 433 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,0,0,0,1,0|1,0,1]=3 434 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,0,0,0,1,0|1,0,1]=3 435 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,0,0,0,1,0|2,0,1]=4 436 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,0,0,0,1,0|2,0,1]=4 437 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,0,0,0,1,0|2,0,1]=4 438 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,0,0,0,1,0|2,0,1]=4 439 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,0,0,0,1,0|2,0,1]=4 440 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,0,0,0,1,0|2,0,1]=4 441 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,0,0,0,1,0|2,0,1]=4 442 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,0,0,0,1,0|3,0,0]=4 443 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,0,0,0,1,0|2,0,1]=4 444 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,0,0,0,1,0|2,0,1]=4 445 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,0,0,0,1,0|2,0,1]=4 446 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,0,0,0,1,0|2,0,1]=4 447 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,0,0,0,1,0|2,0,1]=4 448 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,0,0,0,1,0|2,0,1]=4 449 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,0,0,0,1,0|1,0,1]=3 450 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,0,0,0,1,0|1,0,1]=3 451 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,0,0,0,1,0|1,0,2]=4 452 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,0,0,0,1,0|1,0,2]=4 453 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,0,0,0,1,0|1,0,2]=4 454 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,0,0,0,1,0|1,0,1]=3 455 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,0,0,0,1,0|1,0,1]=3 456 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,0,0,0,1,0|1,0,2]=4 457 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,0,0,0,1,0|1,0,2]=4 458 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,0,0,0,1,0|2,0,1]=4 459 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,0,0,0,1,0|2,0,1]=4 460 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,0,0,0,1,0|1,0,1]=3 461 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,0,0,0,1,0|1,0,1]=3 462 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,0,0,0,1,0|1,0,1]=3 463 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,0,0,0,1,0|1,0,1]=3 464 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,0,0,0,1,0|3,0,0]=4 465 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,0,0,0,1,0|0,0,0]=1 466 B8R0.23 O=C(O)CC(=O)C(F)F MCULE-6579310267 [0,0,0,0,1,0|2,0,1]=4 467 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,0,0,0,1,0|1,0,1]=3 468 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,0,0,0,1,0|1,0,1]=3 469 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,0,0,0,1,0|1,0,1]=3 470 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,0,0,0,1,0|0,0,2]=3 471 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,0,0,0,1,0|0,0,2]=3 472 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,0,0,0,1,0|0,0,2]=3 473 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,0,0,0,1,0|0,1,1]=3 474 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,0,0,0,1,0|1,0,1]=3 475 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,0,0,0,1,0|1,0,1]=3 476 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,0,0,0,1,0|0,0,2]=3 477 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,0,0,0,1,0|0,0,2]=3 478 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,0,0,0,1,0|1,0,1]=3 479 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,0,0,0,1,0|1,0,1]=3 480 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,0,0,0,1,0|1,0,1]=3 481 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,0,0,0,1,0|0,0,2]=3 482 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,0,0,0,1,0|0,0,2]=3 483 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,0,0,0,1,0|0,0,3]=4 484 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,0,0,0,1,0|0,1,1]=3 485 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,0,0,0,1,0|3,0,0]=4 486 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,0,0,0,1,0|1,0,1]=3 487 B10R0.96 C(=CC(=O)NC(=O)N)C(=O)O MCULE-4345604400 [0,0,0,0,0,1|1,0,2]=4 488 B10R0.96 C(=C\C(=O)NC(=O)N)\C(=O)O MCULE-8812884630 [0,0,0,0,0,1|1,0,2]=4 489 B10R0.96 CC(=CC(=O)NCC(=O)O)C MCULE-6309709603 [0,0,0,0,0,1|3,0,0]=4 490 B10R0.96 CC(=O)CC(=O)CCC(=O)O MCULE-6445854186 [0,0,0,0,0,1|1,0,0]=2 491 B10R0.96 CC(=O)CC(=O)NCC(=O)O MCULE-8793325864 [0,0,0,0,0,1|2,0,0]=3 492 B10R0.96 CC(C)NC(=O)CCC(=O)O MCULE-6515821068 [0,0,0,0,0,1|2,0,1]=4 493 B10R0.96 CC(C)OC(=O)CCC(=O)O MCULE-2914075826 [0,0,0,0,0,1|2,0,1]=4 494 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,0,0,0,0,1|1,0,1]=3 495 B10R0.96 CN(C)NC(=O)CCC(=O)O MCULE-6532969482 [0,0,0,0,0,1|3,0,0]=4 496 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,0,0,0,0,1|1,0,1]=3 497 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,0,0,0,0,1|1,0,1]=3 498 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,0,0,0,0,1|2,0,1]=4 499 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,0,0,0,0,1|2,0,1]=4 500 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,0,0,0,0,1|2,0,1]=4 501 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,0,0,0,0,1|2,0,1]=4 502 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,0,0,0,0,1|2,0,1]=4 503 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,0,0,0,0,1|2,0,1]=4 504 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,0,0,0,0,1|2,0,1]=4 505 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,0,0,0,0,1|2,0,1]=4 506 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,0,0,0,0,1|1,0,1]=3 507 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,0,0,0,0,1|1,0,1]=3 508 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,0,0,0,0,1|1,0,1]=3 509 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,0,0,0,0,1|1,0,1]=3 510 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,0,0,0,0,1|1,0,1]=3 511 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,0,0,0,0,1|1,0,1]=3 512 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,0,0,0,0,1|1,0,1]=3 513 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,0,0,0,0,1|1,0,1]=3 514 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,0,0,0,0,1|2,0,1]=4 515 B10R0.98 CC(=O)N(C)CCCC(=O)O MCULE-1764265267 [0,0,0,0,0,1|3,0,0]=4 516 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,0,0,0,0,1|2,0,1]=4 517 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,0,0,0,0,1|2,0,1]=4 518 B10R0.98 CC(=O)NCOC(=O)C(=O)C MCULE-2650594849 [0,0,0,0,0,1|3,0,0]=4 519 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,0,0,0,0,1|2,0,1]=4 520 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,0,0,0,0,1|2,0,1]=4 521 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,0,0,0,0,1|2,0,1]=4 522 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,0,0,0,0,1|2,0,1]=4 523 B10R0.98 CC(C)C(=O)CCCC(=O)O MCULE-1233637144 [0,0,0,0,0,1|2,0,1]=4 524 B10R0.98 CC(C)C(=O)NCCC(=O)O MCULE-1444181499 [0,0,0,0,0,1|2,0,1]=4 525 B10R0.98 CN(C)C(=O)CCCC(=O)O MCULE-4460007693 [0,0,0,0,0,1|3,0,0]=4 526 B10R0.98 CN(C)C(=O)COCC(=O)O MCULE-5393248603 [0,0,0,0,0,1|3,0,0]=4 527 B10R0.98 CN(C)C(=O)NCCC(=O)O MCULE-8207391788 [0,0,0,0,0,1|3,0,0]=4 528 B10R0.98 C[C@H](N)C(=O)NCCC(=O)O MCULE-5592804189 [0,0,0,0,0,1|2,0,1]=4 529 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,0,0,0,0,1|1,0,1]=3 530 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,0,0,0,0,1|1,0,1]=3 531 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,0,0,0,0,1|1,0,1]=3 532 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,0,0,0,0,1|1,0,1]=3 533 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,0,0,0,0,1|1,0,1]=3 534 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,0,0,0,0,1|1,0,1]=3 535 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,0,0,0,0,1|1,0,1]=3 536 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,0,0,0,0,1|1,0,1]=3 537 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,0,0,0,0,1|1,0,1]=3 538 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,0,0,0,0,1|1,0,1]=3 539 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,0,0,0,0,1|0,0,0]=1 540 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,0,0,0,0,1|0,0,2]=3 541 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,0,0,0,0,1|0,0,2]=3 542 B10R0.98 O=C(O)CONC(=O)C(=O)O MCULE-7932028761 [0,0,0,0,0,1|1,0,0]=2 543 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [2,0,0,0,0,0|2,0,0]=4 544 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [2,0,0,0,0,0|1,0,1]=4 545 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [2,0,0,0,0,0|1,0,1]=4 546 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [2,0,0,0,0,0|2,0,0]=4 547 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [2,0,0,0,0,0|2,0,0]=4 548 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [2,0,0,0,0,0|2,0,0]=4 549 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [2,0,0,0,0,0|1,0,0]=3 550 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [2,0,0,0,0,0|1,0,0]=3 551 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [2,0,0,0,0,0|0,0,2]=4 552 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [2,0,0,0,0,0|0,0,1]=3 553 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [2,0,0,0,0,0|1,0,1]=4 554 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [2,0,0,0,0,0|1,0,0]=3 555 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [2,0,0,0,0,0|1,0,1]=4 556 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [2,0,0,0,0,0|1,0,1]=4 557 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [2,0,0,0,0,0|1,0,1]=4 558 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [2,0,0,0,0,0|0,0,1]=3 559 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [2,0,0,0,0,0|1,0,1]=4 560 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [2,0,0,0,0,0|1,0,1]=4 561 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [2,0,0,0,0,0|1,0,1]=4 562 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [2,0,0,0,0,0|1,0,1]=4 563 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [2,0,0,0,0,0|1,0,1]=4 564 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [2,0,0,0,0,0|1,0,1]=4 565 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [2,0,0,0,0,0|1,0,1]=4 566 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [2,0,0,0,0,0|1,0,1]=4 567 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [2,0,0,0,0,0|0,0,2]=4 568 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [2,0,0,0,0,0|1,0,0]=3 569 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [2,0,0,0,0,0|2,0,0]=4 570 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [2,0,0,0,0,0|2,0,0]=4 571 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [2,0,0,0,0,0|1,0,0]=3 572 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [2,0,0,0,0,0|2,0,0]=4 573 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [2,0,0,0,0,0|1,0,0]=3 574 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [2,0,0,0,0,0|1,0,1]=4 575 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [2,0,0,0,0,0|1,0,1]=4 576 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [2,0,0,0,0,0|0,0,1]=3 577 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [2,0,0,0,0,0|0,0,2]=4 578 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [2,0,0,0,0,0|2,0,0]=4 579 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [2,0,0,0,0,0|1,0,1]=4 580 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [2,0,0,0,0,0|1,0,1]=4 581 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [2,0,0,0,0,0|1,0,1]=4 582 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [2,0,0,0,0,0|1,0,1]=4 583 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [2,0,0,0,0,0|1,0,1]=4 584 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [2,0,0,0,0,0|2,0,0]=4 585 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [2,0,0,0,0,0|1,0,0]=3 586 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [2,0,0,0,0,0|2,0,0]=4 587 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [2,0,0,0,0,0|2,0,0]=4 588 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [2,0,0,0,0,0|2,0,0]=4 589 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [2,0,0,0,0,0|0,0,2]=4 590 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [2,0,0,0,0,0|0,0,2]=4 591 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [2,0,0,0,0,0|0,0,2]=4 592 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [2,0,0,0,0,0|0,0,2]=4 593 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [2,0,0,0,0,0|0,0,2]=4 594 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [2,0,0,0,0,0|0,0,2]=4 595 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [2,0,0,0,0,0|0,0,2]=4 596 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [2,0,0,0,0,0|0,0,2]=4 597 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [2,0,0,0,0,0|0,0,2]=4 598 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [2,0,0,0,0,0|1,0,1]=4 599 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|0,0,0]=2 600 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|0,0,0]=2 601 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [2,0,0,0,0,0|1,0,0]=3 602 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [2,0,0,0,0,0|2,0,0]=4 603 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [2,0,0,0,0,0|0,0,1]=3 604 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [2,0,0,0,0,0|0,0,2]=4 605 B9R0.8 COC(=O)C(=O)CCCBr MCULE-8546187031 [1,1,0,0,0,0|1,0,1]=4 606 B9R0.8 COC(=O)C(=O)CCCCl MCULE-2958576452 [1,1,0,0,0,0|1,0,1]=4 607 B9R0.47 CCCCCC(=O)C(=O)O MCULE-2334480456 [1,1,0,0,0,0|1,0,1]=4 608 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [1,1,0,0,0,0|2,0,0]=4 609 B9R0.23 C=CC(=O)N(C)CC(=O)O MCULE-9771391783 [1,1,0,0,0,0|2,0,0]=4 610 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [1,1,0,0,0,0|2,0,0]=4 611 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [1,1,0,0,0,0|2,0,0]=4 612 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [1,1,0,0,0,0|2,0,0]=4 613 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [1,1,0,0,0,0|2,0,0]=4 614 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [1,1,0,0,0,0|2,0,0]=4 615 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [1,1,0,0,0,0|2,0,0]=4 616 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [1,1,0,0,0,0|2,0,0]=4 617 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [1,1,0,0,0,0|2,0,0]=4 618 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [1,1,0,0,0,0|2,0,0]=4 619 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [1,1,0,0,0,0|2,0,0]=4 620 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [1,1,0,0,0,0|2,0,0]=4 621 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [1,1,0,0,0,0|2,0,0]=4 622 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [1,1,0,0,0,0|1,0,1]=4 623 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [1,1,0,0,0,0|2,0,0]=4 624 B9R0.24 CCC(=O)CCC(=O)OC MCULE-9090609782 [1,1,0,0,0,0|1,0,1]=4 625 B9R0.24 COC(=O)CCC(=O)CBr MCULE-7044639446 [1,1,0,0,0,0|1,0,1]=4 626 B9R0.24 COC(=O)CCC(=O)CCl MCULE-4430497907 [1,1,0,0,0,0|1,0,1]=4 627 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [1,1,0,0,0,0|1,0,1]=4 628 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [1,1,0,0,0,0|1,0,1]=4 629 B9R0.24 COC(=O)CCC(=O)OC MCULE-1133524094 [1,1,0,0,0,0|2,0,0]=4 630 B9R0.48 CC=CC(=O)NCC(=O)O MCULE-3127874630 [1,1,0,0,0,0|2,0,0]=4 631 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [1,1,0,0,0,0|1,0,1]=4 632 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [1,1,0,0,0,0|1,0,1]=4 633 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [1,1,0,0,0,0|1,0,1]=4 634 B9R0.48 COCC(=O)NCC(=O)O MCULE-2679622476 [1,1,0,0,0,0|1,0,1]=4 635 B9R0.48 N#C/C=C(\N)/CCC(=O)O MCULE-9325480359 [1,1,0,0,0,0|2,0,0]=4 636 B9R0.48 N#CCC(=O)CCC(=O)O MCULE-9068617053 [1,1,0,0,0,0|1,0,1]=4 637 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [1,1,0,0,0,0|2,0,0]=4 638 B9R0.1 CCC(=CCCC(=O)O)C MCULE-6674917264 [1,1,0,0,0,0|2,0,0]=4 639 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [1,1,0,0,0,0|1,0,1]=4 640 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [1,1,0,0,0,0|2,0,0]=4 641 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [1,1,0,0,0,0|1,0,1]=4 642 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [1,1,0,0,0,0|2,0,0]=4 643 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [1,1,0,0,0,0|1,0,1]=4 644 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [1,1,0,0,0,0|1,0,1]=4 645 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [1,1,0,0,0,0|0,0,1]=3 646 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [1,1,0,0,0,0|2,0,0]=4 647 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [1,1,0,0,0,0|2,0,0]=4 648 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [1,1,0,0,0,0|1,0,1]=4 649 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [1,1,0,0,0,0|1,0,1]=4 650 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [1,1,0,0,0,0|1,0,1]=4 651 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [1,1,0,0,0,0|1,0,0]=3 652 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [1,1,0,0,0,0|1,0,1]=4 653 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [1,1,0,0,0,0|1,0,1]=4 654 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [1,1,0,0,0,0|2,0,0]=4 655 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [1,1,0,0,0,0|2,0,0]=4 656 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [1,1,0,0,0,0|1,0,0]=3 657 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [1,1,0,0,0,0|0,0,1]=3 658 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [1,1,0,0,0,0|0,0,1]=3 659 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [1,1,0,0,0,0|2,0,0]=4 660 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,1,0,0,0,0|0,0,1]=3 661 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [1,1,0,0,0,0|2,0,0]=4 662 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [1,1,0,0,0,0|1,0,1]=4 663 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [1,1,0,0,0,0|1,0,1]=4 664 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [1,1,0,0,0,0|0,0,1]=3 665 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [1,1,0,0,0,0|0,0,1]=3 666 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [1,1,0,0,0,0|1,0,1]=4 667 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [1,1,0,0,0,0|0,0,1]=3 668 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [1,1,0,0,0,0|0,0,2]=4 669 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [1,1,0,0,0,0|0,0,1]=3 670 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [1,1,0,0,0,0|1,0,1]=4 671 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [1,1,0,0,0,0|1,0,1]=4 672 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,1,0,0,1,0|1,0,1]=4 673 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,1,0,0,1,0|1,0,1]=4 674 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,1,0,0,1,0|1,0,1]=4 675 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,1,0,0,1,0|0,0,2]=4 676 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,1,0,0,1,0|1,0,1]=4 677 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,1,0,0,1,0|1,0,1]=4 678 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,1,0,0,1,0|1,0,1]=4 679 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,1,0,0,1,0|0,0,2]=4 680 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,1,0,0,1,0|1,0,1]=4 681 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,1,0,0,1,0|0,1,1]=4 682 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,1,0,0,1,0|1,0,0]=3 683 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,1,0,0,1,0|1,0,1]=4 684 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,1,0,0,1,0|1,0,1]=4 685 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,1,0,0,1,0|1,0,1]=4 686 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,1,0,0,1,0|1,0,1]=4 687 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,1,0,0,1,0|1,0,1]=4 688 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,1,0,0,1,0|1,0,1]=4 689 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,1,0,0,1,0|1,0,1]=4 690 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,1,0,0,1,0|1,0,1]=4 691 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,1,0,0,1,0|0,0,2]=4 692 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,1,0,0,1,0|1,0,1]=4 693 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,1,0,0,1,0|1,0,1]=4 694 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,1,0,0,1,0|2,0,0]=4 695 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,1,0,0,1,0|0,1,1]=4 696 B9R0.79 CC(=C(C)C(=O)O)C(=O)O MCULE-7892331868 [0,1,0,0,1,0|1,0,1]=4 697 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,1,0,0,1,0|1,0,1]=4 698 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,1,0,0,1,0|1,0,1]=4 699 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,1,0,0,1,0|0,0,2]=4 700 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,1,0,0,1,0|1,0,1]=4 701 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,1,0,0,1,0|1,0,1]=4 702 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,1,0,0,1,0|1,0,1]=4 703 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,1,0,0,1,0|1,0,1]=4 704 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,1,0,0,1,0|1,0,1]=4 705 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,1,0,0,1,0|0,0,2]=4 706 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,1,0,0,1,0|1,0,1]=4 707 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,1,0,0,1,0|1,0,1]=4 708 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,1,0,0,1,0|0,0,2]=4 709 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,1,0,0,1,0|0,0,2]=4 710 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,1,0,0,1,0|0,0,2]=4 711 B9R0.79 O=C(O)C(=C(Br)C(=O)O)Br MCULE-6375677777 [0,1,0,0,1,0|1,0,1]=4 712 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,1,0,0,1,0|0,0,2]=4 713 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,1,0,0,1,0|1,0,1]=4 714 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,1,0,0,1,0|0,0,2]=4 715 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,1,0,0,1,0|0,0,2]=4 716 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,1,0,0,1,0|0,0,2]=4 717 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,1,0,0,1,0|0,0,2]=4 718 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,1,0,0,1,0|0,0,2]=4 719 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,1,0,0,1,0|0,0,2]=4 720 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,1,0,0,1,0|0,0,2]=4 721 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,1,0,0,1,0|0,0,2]=4 722 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,1,0,0,1,0|0,0,2]=4 723 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,1,0,0,1,0|0,0,2]=4 724 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,1,0,0,1,0|0,0,2]=4 725 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,1,0,0,1,0|0,0,2]=4 726 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,1,0,0,1,0|0,0,2]=4 727 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,1,0,0,1,0|0,0,2]=4 728 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,1,0,0,1,0|0,0,2]=4 729 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,1,0,0,1,0|0,1,1]=4 730 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,1,0,0,1,0|0,0,2]=4 731 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,1,0,0,1,0|0,0,2]=4 732 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,1,0,0,1,0|0,0,2]=4 733 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,1,0,0,1,0|0,0,2]=4 734 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,1,0,0,1,0|0,0,2]=4 735 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,1,0,0,1,0|0,0,2]=4 736 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,1,0,0,1,0|0,0,2]=4 737 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,1,0,0,1,0|0,0,2]=4 738 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,1,0,0,1,0|1,0,1]=4 739 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,1,0,0,1,0|0,0,2]=4 740 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,1,0,0,1,0|0,0,2]=4 741 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,1,0,0,1,0|0,0,2]=4 742 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,1,0,0,1,0|0,0,2]=4 743 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,1,0,0,1,0|0,0,2]=4 744 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,1,0,0,1,0|0,0,2]=4 745 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,1,0,0,1,0|0,1,1]=4 746 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,1,0,0,1,0|0,0,2]=4 747 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,1,0,0,1,0|0,0,2]=4 748 B11R0.33 CC(=O)CC(=O)NC(C)C(=O)O MCULE-3379485569 [0,1,0,0,0,1|2,0,0]=4 749 B11R0.93 COC(=O)CC(=O)COC(=O)C MCULE-8505108815 [0,1,0,0,0,1|2,0,0]=4 750 B11R0.93 COC(=O)NC(=O)/C=C/C(=O)O MCULE-8539850141 [0,1,0,0,0,1|0,0,2]=4 751 B11R0.93 COC(=O)NC(=O)/C=C\C(=O)O MCULE-4931263543 [0,1,0,0,0,1|0,0,2]=4 752 B11R0.93 COC(=O)NC(=O)C=CC(=O)O MCULE-8544069239 [0,1,0,0,0,1|0,0,2]=4 753 B11R0.107 COC(=O)CCC(=O)CC(=O)C MCULE-3104868399 [0,1,0,0,0,1|1,0,0]=3 754 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O MCULE-8617510469 [0,1,0,0,0,1|1,0,1]=4 755 B11R0.232 CC(C)(CCC(=O)O)CC(=O)O MCULE-6179333060 [0,1,0,0,0,1|1,0,1]=4 756 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-6525672180 [0,1,0,0,0,1|1,0,1]=4 757 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-9595280451 [0,1,0,0,0,1|1,0,1]=4 758 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-3482420480 [0,1,0,0,0,1|1,0,1]=4 759 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-4023404585 [0,1,0,0,0,1|1,0,1]=4 760 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-7929391321 [0,1,0,0,0,1|1,0,1]=4 761 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-8630961555 [0,1,0,0,0,1|1,0,1]=4 762 B11R0.145 COC(=O)N(C)CCCC(=O)O MCULE-2774035598 [0,1,0,0,0,1|2,0,0]=4 763 B11R0.150 CC(CCC(C)C(=O)O)C(=O)O MCULE-5912549588 [0,1,0,0,0,1|1,0,1]=4 764 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,1,0,0,0,1|1,0,1]=4 765 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,1,0,0,0,1|1,0,1]=4 766 B11R0.150 NC(CNC(=O)C(=O)O)C(=O)O MCULE-4369517479 [0,1,0,0,0,1|0,0,0]=2 767 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,1,0,0,0,1|1,0,1]=4 768 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,1,0,0,0,1|1,0,1]=4 769 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,1,0,0,0,1|1,0,1]=4 770 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,1,0,0,0,1|1,0,1]=4 771 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-6891448368 [0,1,0,0,0,1|0,0,0]=2 772 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-8386372368 [0,1,0,0,0,1|0,0,0]=2 773 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,1,0,0,0,1|1,0,1]=4 774 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O MCULE-1364640997 [0,1,0,0,0,1|1,0,1]=4 775 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O MCULE-4852574589 [0,2,0,0,0,0|0,0,2]=4 776 B11R0.169 C=C(CC(F)(F)C(=O)O)C(=O)O MCULE-6251282874 [0,2,0,0,0,0|1,0,0]=3 777 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O MCULE-9496860126 [0,2,0,0,0,0|1,0,1]=4 778 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O MCULE-6781805828 [0,2,0,0,0,0|1,0,1]=4 779 B11R0.201 COC(=O)CCC(C)(C)C(=O)O MCULE-8216672018 [0,2,0,0,0,0|1,0,1]=4 780 B11R0.288 COC(=O)C(C)(C)CCC(=O)O MCULE-4045283037 [0,2,0,0,0,0|1,0,1]=4 781 B11R0.371 CC[C@](N)(CCC(=O)O)C(=O)O MCULE-5000195468 [0,2,0,0,0,0|1,0,1]=4 782 B11R0.59 CCOC(=O)C(=O)NCC(=O)C MCULE-1436916696 [0,2,0,0,0,0|2,0,0]=4 783 B11R0.59 CCOC(=O)C(N)CCC(=O)O MCULE-5481835291 [0,2,0,0,0,0|1,0,1]=4 784 B11R0.59 CCOC(=O)C(N)CCC(=O)O MCULE-5766868801 [0,2,0,0,0,0|1,0,1]=4 785 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-4237495428 [0,2,0,0,0,0|1,0,1]=4 786 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-4946507428 [0,2,0,0,0,0|1,0,1]=4 787 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-5731424801 [0,2,0,0,0,0|1,0,1]=4 788 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O MCULE-6354251285 [0,2,0,0,0,0|1,0,1]=4 789 B11R0.120 C=C(CCC(=O)OC)C(=O)OC MCULE-2489405596 [0,2,0,0,0,0|1,0,0]=3 790 B11R0.120 COC(=O)/C=C/C(=O)C(=O)OC MCULE-2059483812 [0,2,0,0,0,0|0,0,2]=4 791 B11R0.120 COC(=O)CCC(=O)C(=O)OC MCULE-4366685032 [0,2,0,0,0,0|0,0,0]=2 792 B11R0.120 COC(=O)CCC(Br)C(=O)OC MCULE-4447535641 [0,2,0,0,0,0|1,0,1]=4 793 B11R0.120 COC(=O)CCC(C)C(=O)OC MCULE-3821505391 [0,2,0,0,0,0|1,0,1]=4 794 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-1062487923 [0,2,0,0,0,0|1,0,1]=4 795 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-5522897343 [0,2,0,0,0,0|1,0,1]=4 796 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-7739323862 [0,2,0,0,0,0|1,0,1]=4 797 B11R0.120 COC(=O)CCC(N)C(=O)OC MCULE-8126985577 [0,2,0,0,0,0|1,0,1]=4 798 B11R0.120 COC(=O)CC[C@@H](C)C(=O)OC MCULE-2234361542 [0,2,0,0,0,0|1,0,1]=4 799 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-3575816335 [0,2,0,0,0,0|1,0,1]=4 800 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-8268535901 [0,2,0,0,0,0|1,0,1]=4 801 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-8728274804 [0,2,0,0,0,0|1,0,1]=4 802 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC MCULE-9773820282 [0,2,0,0,0,0|1,0,1]=4 803 B11R0.120 COC(=O)CC[C@@H](O)C(=O)OC MCULE-6749008630 [0,2,0,0,0,0|0,0,2]=4 804 B11R0.120 COC(=O)CC[C@@H](O)C(=O)OC MCULE-7189187238 [0,2,0,0,0,0|0,0,2]=4 805 B11R0.120 COC(=O)CC[C@H](C)C(=O)OC MCULE-8354376608 [0,2,0,0,0,0|1,0,1]=4 806 B11R0.120 COC(=O)CC[C@H](C)C(=O)OC MCULE-9923578542 [0,2,0,0,0,0|1,0,1]=4 807 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-1839997834 [0,2,0,0,0,0|1,0,1]=4 808 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-5240302694 [0,2,0,0,0,0|1,0,1]=4 809 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-6781902445 [0,2,0,0,0,0|1,0,1]=4 810 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC MCULE-7992732132 [0,2,0,0,0,0|1,0,1]=4 811 B11R0.120 COC(=O)CC[C@H](O)C(=O)OC MCULE-8679796118 [0,2,0,0,0,0|0,0,2]=4 812 B11R0.120 COC(=O)CNC(=O)C(=O)OC MCULE-4754648227 [0,2,0,0,0,0|1,0,0]=3 813 B11R0.141 CCOC(=O)CCC(N)C(=O)O MCULE-9823045547 [0,2,0,0,0,0|1,0,1]=4 814 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O MCULE-8792343648 [0,2,0,0,0,0|1,0,1]=4 815 B11R0.141 [C@H](N)(CCC(=O)OCC)C(=O)O MCULE-8568738055 [0,2,0,0,0,0|1,0,1]=4 816 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-4285872078 [0,2,0,0,0,0|1,0,1]=4 817 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-7706960153 [0,2,0,0,0,0|1,0,1]=4 818 B11R0.28 CN(C)[C@@H](CCC(=O)O)C(=O)O MCULE-2784771552 [0,2,0,0,0,0|1,0,1]=4 819 B11R0.28 CN(C)[C@H](CCC(=O)O)C(=O)O MCULE-7024104536 [0,2,0,0,0,0|1,0,1]=4 820 B11R0.28 NC(=O)CCC(C(=O)O)C(=O)O MCULE-8933018983 [0,2,0,0,0,0|1,0,1]=4 821 B11R0.146 N/C=N/[C@@H](CCC(=O)O)C(=O)O MCULE-1122843385 [0,2,0,0,0,0|1,0,1]=4 822 B11R0.146 NC(=O)CCC(NC=O)C(=O)O MCULE-5875375171 [0,2,0,0,0,0|1,0,1]=4 823 B11R0.275 CCC(C[C@H](N)C(=O)O)C(=O)O MCULE-1744478562 [0,2,0,0,0,0|1,0,1]=4 824 B9R1.6 O=C(O)C1=COCCC1 MCULE-4203786677 [1,0,0,1,0,0|1,0,1]=4 825 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,1,0,0|1,0,1]=4 826 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [1,0,0,1,0,0|0,0,2]=4 827 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [1,0,0,1,0,0|1,0,1]=4 828 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [1,0,0,1,0,0|1,0,0]=3 829 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,1,0,0|1,0,1]=4 830 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [1,0,0,1,0,0|1,0,1]=4 831 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [1,0,0,1,0,0|1,0,1]=4 832 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [1,0,0,1,0,0|0,0,2]=4 833 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [1,0,0,1,0,0|0,1,1]=4 834 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,1,0,0|1,0,1]=4 835 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,1,0,0|1,0,1]=4 836 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [1,0,0,1,0,0|1,0,1]=4 837 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [1,0,0,1,0,0|1,0,1]=4 838 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [1,0,0,1,0,0|0,0,2]=4 839 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [1,0,0,1,0,0|0,0,2]=4 840 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,1,0,0|1,0,1]=4 841 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,1,0,0|1,0,1]=4 842 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [1,0,0,1,0,0|1,0,1]=4 843 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [1,0,0,1,0,0|1,0,1]=4 844 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [1,0,0,1,0,0|1,0,1]=4 845 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [1,0,0,1,0,0|0,0,2]=4 846 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [1,0,0,1,0,0|0,0,2]=4 847 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [1,0,0,1,0,0|0,1,1]=4 848 B9R1.69 C=C1CCC(=O)NC1=O MCULE-9917847735 [1,0,0,1,0,0|2,0,0]=4 849 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [1,0,0,1,0,0|1,0,1]=4 850 B9R1.69 O=C1NCC(=O)C(=O)N1 MCULE-3608761998 [1,0,0,1,0,0|2,0,0]=4 851 B9R1.110 O=C(O)C(=O)C1CCC1 MCULE-3680158952 [1,0,0,1,0,0|1,0,1]=4 852 B9R1.112 O=C(O)C(=O)CC1CC1 MCULE-2914009662 [1,0,0,1,0,0|1,0,1]=4 853 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [1,0,0,1,0,0|1,0,1]=4 854 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [1,0,0,1,0,0|2,0,0]=4 855 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [1,0,0,1,0,0|1,0,1]=4 856 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [1,0,0,1,0,0|1,0,1]=4 857 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [1,0,0,1,0,0|1,0,1]=4 858 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [1,0,0,1,0,0|0,0,1]=3 859 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [1,0,0,1,0,0|1,0,1]=4 860 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [1,0,0,1,0,0|0,0,1]=3 861 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [1,0,0,1,0,0|0,0,1]=3 862 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [1,0,0,1,0,0|0,0,1]=3 863 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [1,0,0,1,0,0|1,0,1]=4 864 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [1,0,0,1,0,0|1,0,1]=4 865 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [1,0,0,1,0,0|0,0,1]=3 866 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [1,0,0,1,0,0|0,0,1]=3 867 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [1,0,0,1,0,0|0,0,1]=3 868 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [1,0,0,1,0,0|1,0,1]=4 869 B11R1.74 N=C1NC(=O)CC(S1)C(=O)O MCULE-5822428129 [0,0,0,1,0,1|1,1,0]=4 870 B11R1.74 O=C1CC(=O)CC(C1)C(=O)Cl MCULE-5961631621 [0,0,0,1,0,1|2,0,0]=4 871 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O MCULE-2619134082 [0,0,0,1,0,1|1,0,0]=3 872 B11R1.74 O=C1CC(CC(=O)N1)C(=O)O MCULE-5623787674 [0,0,0,1,0,1|1,0,0]=3 873 B11R1.74 O=C1CC(NC(=O)N1)C(=O)O MCULE-8091289320 [0,0,0,1,0,1|1,0,0]=3 874 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-4074220021 [0,0,0,1,0,1|1,0,0]=3 875 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-7764195040 [0,0,0,1,0,1|1,0,0]=3 876 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-6513392402 [0,0,0,1,0,1|1,0,0]=3 877 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-7404763627 [0,0,0,1,0,1|1,0,0]=3 878 B11R1.75 CC1=CC(=NO1)CCC(=O)O MCULE-3378074738 [0,0,0,1,0,1|2,0,0]=4 879 B11R1.75 O=C(O)CCC1=CC(=O)NO1 MCULE-1230469268 [0,0,0,1,0,1|1,0,1]=4 880 B11R1.75 O=C(O)CCC1=CNC(=O)N1 MCULE-2706002292 [0,0,0,1,0,1|2,0,0]=4 881 B11R1.75 O=C(O)CCC1=NC(=NN1)O MCULE-9401453115 [0,0,0,1,0,1|2,0,0]=4 882 B11R1.167 O=C1CCC(=O)[C@H](N1)C(=O)O MCULE-5858965627 [0,0,0,1,0,1|1,0,0]=3 883 B11R1.167 O=C1CNC(=O)C(N1)C(=O)O MCULE-9729486152 [0,0,0,1,0,1|2,0,0]=4 884 B11R1.645 N=C1NC(=O)C(S1)CC(=O)O MCULE-8767681307 [0,0,0,1,0,1|1,1,0]=4 885 B11R1.645 NC(=O)CC1NC(=O)NC1=O MCULE-1318774728 [0,0,0,1,0,1|2,0,0]=4 886 B11R1.645 O=C(Cl)CC1NC(=O)NC1=O MCULE-7494393064 [0,0,0,1,0,1|2,0,0]=4 887 B11R1.645 O=C(Cl)CC1SC(=O)NC1=O MCULE-8493672589 [0,0,0,1,0,1|1,1,0]=4 888 B11R1.645 O=C(O)CC1=CC(=O)OC1=O MCULE-8420291771 [0,0,0,1,0,1|1,0,1]=4 889 B11R1.645 O=C(O)CC1CC(=O)NC1=O MCULE-4247988695 [0,0,0,1,0,1|1,0,0]=3 890 B11R1.645 O=C(O)CC1CC(=O)OC1=O MCULE-5201948185 [0,0,0,1,0,1|1,0,0]=3 891 B11R1.645 O=C(O)CC1NC(=O)NC1=O MCULE-4472768936 [0,0,0,1,0,1|1,0,0]=3 892 B11R1.645 O=C(O)CC1NC(=S)NC1=O MCULE-3693835311 [0,0,0,1,0,1|1,1,0]=4 893 B11R1.645 O=C(O)CC1SC(=NC1=O)S MCULE-8322152615 [0,0,0,1,0,1|0,2,0]=4 894 B11R1.645 O=C(O)CC1SC(=O)NC1=O MCULE-8778282195 [0,0,0,1,0,1|0,1,0]=3 895 B11R1.645 O=C(O)CN1CC(=O)NC1=O MCULE-6009577973 [0,0,0,1,0,1|2,0,0]=4 896 B11R1.645 O=C(O)C[C@@H]1NC(=O)NC1=O MCULE-3659340200 [0,0,0,1,0,1|1,0,0]=3 897 B11R1.645 O=C(O)C[C@@H]1NC(=O)NC1=O MCULE-7657913540 [0,0,0,1,0,1|1,0,0]=3 898 B11R1.740 O=C(O)CC1CC1CC(=O)O MCULE-8348402050 [0,0,0,1,0,1|1,0,1]=4 899 B11R1.175 O=C(O)C1CCC(C1)C(=O)O MCULE-5582697343 [0,0,0,1,0,1|1,0,1]=4 900 B11R1.175 O=C(O)C1CCC(O1)C(=O)O MCULE-3136124682 [0,0,0,1,0,1|0,0,2]=4 901 B11R1.175 O=C(O)C1CNC(C1)C(=O)O MCULE-8937278367 [0,0,0,1,0,1|1,0,1]=4 902 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,0,0,1,0,1|1,0,1]=4 903 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,0,0,1,0,1|1,0,1]=4 904 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-5651042358 [0,0,0,1,0,1|0,0,2]=4 905 B11R1.175 O=C(O)[C@@H]1CC[C@H](C1)C(=O)O MCULE-4158551450 [0,0,0,1,0,1|1,0,1]=4 906 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1390451256 [0,0,0,1,0,1|1,0,1]=4 907 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7979026465 [0,0,0,1,0,1|1,0,1]=4 908 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-9063795349 [0,0,0,1,0,1|1,0,1]=4 909 B11R1.175 O=C(O)[C@@H]1CN[C@H](C1)C(=O)O MCULE-5420917584 [0,0,0,1,0,1|1,0,1]=4 910 B11R1.175 O=C(O)[C@@H]1C[C@H](CN1)C(=O)O MCULE-2467535885 [0,0,0,1,0,1|1,0,1]=4 911 B11R1.175 O=C(O)[C@H]1CC[C@@H](C1)C(=O)O MCULE-1705160233 [0,0,0,1,0,1|1,0,1]=4 912 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O MCULE-9410279128 [0,0,0,1,0,1|1,0,1]=4 913 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,0,1|1,0,1]=4 914 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,0,0,1,0,1|1,0,1]=4 915 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|1,0,1]=4 916 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|1,0,1]=4 917 B11R1.166 CC1=C(CCC(=O)N1)C(=O)O MCULE-5062338511 [0,1,0,1,0,0|2,0,0]=4 918 B11R1.1389 NC1(CC(C1)C(=O)O)C(=O)O MCULE-1543172703 [0,1,0,1,0,0|1,0,1]=4 919 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O MCULE-6569163998 [0,1,0,1,0,0|1,0,1]=4 920 B11R1.1389 N[C@@]1(C[C@H](C1)C(=O)O)C(=O)O MCULE-3442699763 [0,1,0,1,0,0|1,0,1]=4 921 B11R1.22 COC(=O)C1=NNC(=O)CC1 MCULE-6880633256 [0,1,0,1,0,0|2,0,0]=4 922 B11R1.48 CCN1CC(OC1=O)C(=O)O MCULE-4298274874 [0,1,0,1,0,0|2,0,0]=4 923 B11R1.90 O=C(O)CCC1CCOC1=O MCULE-3104209963 [0,1,0,1,0,0|1,0,1]=4 924 B11R1.90 O=C(O)CCN1CCOC1=O MCULE-5371089126 [0,1,0,1,0,0|2,0,0]=4 925 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O MCULE-2958186568 [0,1,0,1,0,0|1,0,1]=4 926 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O MCULE-6300691450 [0,1,0,1,0,0|1,0,1]=4 927 B11R1.853 COC(=O)C1CC(C1)C(=O)O MCULE-6425737082 [0,1,0,1,0,0|1,0,1]=4 928 B11R1.853 COC(=O)[C@H]1C[C@@H](C1)C(=O)O MCULE-2129678369 [0,1,0,1,0,0|1,0,1]=4 929 B11R1.853 COC(=O)[C@H]1C[C@H](C1)C(=O)O MCULE-9739121290 [0,1,0,1,0,0|1,0,1]=4 930 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [1,0,0,0,1,0|1,0,1]=4 931 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,0,0,0,1,0|1,0,1]=4 932 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,0,0,0,1,0|2,0,0]=4 933 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [1,0,0,0,1,0|2,0,0]=4 934 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [1,0,0,0,1,0|2,0,0]=4 935 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [1,0,0,0,1,0|2,0,0]=4 936 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [1,0,0,0,1,0|1,0,1]=4 937 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,0,0,0,1,0|0,0,1]=3 938 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,0,0,0,1,0|1,0,1]=4 939 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,0,0,0,2,0|1,0,0]=3 940 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,0,0,0,2,0|1,0,1]=4 941 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,0,0,0,2,0|1,0,1]=4 942 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,0,0,0,2,0|0,0,0]=2 943 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,0,0,0,2,0|1,0,1]=4 944 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,0,0,0,2,0|1,0,1]=4 945 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,0,0,0,2,0|0,0,2]=4 946 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-3642448111 [0,0,0,0,2,0|0,0,2]=4 947 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-7835235837 [0,0,0,0,2,0|0,0,2]=4 948 B9R0.4 C=CCCC(=CC(=O)O)C MCULE-7109579460 [1,0,0,0,0,1|2,0,0]=4 949 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [1,0,0,0,0,1|2,0,0]=4 950 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [1,0,0,0,0,1|1,0,1]=4 951 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [1,0,0,0,0,1|1,0,1]=4 952 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [1,0,0,0,0,1|1,0,1]=4 953 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [1,0,0,0,0,1|1,0,1]=4 954 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [1,0,0,0,0,1|1,0,1]=4 955 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [1,0,0,0,0,1|1,0,1]=4 956 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [1,0,0,0,0,1|1,0,1]=4 957 B9R0.55 O=C(O)/C=C/C=C/C(=O)O MCULE-6385818003 [1,0,0,0,0,1|0,0,2]=4 958 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [1,0,0,0,0,1|0,0,0]=2 959 B9R0.55 O=C(O)/C=C\C=C/C(=O)O MCULE-3782370049 [1,0,0,0,0,1|0,0,2]=4 960 B9R0.55 O=C(O)/C=C\C=C\C(=O)O MCULE-1285367069 [1,0,0,0,0,1|0,0,2]=4 961 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [1,0,0,0,0,1|0,0,1]=3 962 B9R0.55 O=C(O)C=CC=CC(=O)O MCULE-7565238801 [1,0,0,0,0,1|0,0,2]=4 963 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [1,0,0,0,0,1|0,0,0]=2 964 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [1,0,0,0,0,1|0,0,1]=3 965 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [1,0,0,0,0,1|0,0,1]=3 966 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [1,0,0,0,0,1|0,0,1]=3 967 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [1,0,0,0,0,1|0,0,1]=3 968 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [1,0,0,0,0,1|0,0,1]=3 969 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [1,0,0,0,0,1|0,0,1]=3 970 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [1,0,0,0,0,1|1,0,1]=4 971 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [1,0,0,0,0,1|1,0,1]=4 972 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [1,0,0,0,0,1|1,0,1]=4 973 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [1,0,0,0,0,1|0,0,2]=4 974 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [1,0,0,0,0,1|0,0,2]=4 975 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [1,0,0,0,0,1|0,0,2]=4 976 B11R0.85 CC(=NNC(=O)N)CCC(=O)O MCULE-6610092193 [0,0,0,0,0,2|2,0,0]=4 977 B11R0.85 CC(=O)CCC(=O)CCC(=O)O MCULE-5526835762 [0,0,0,0,0,2|1,0,0]=3 978 B11R0.85 CC(=O)CNC(=O)C=CC(=O)O MCULE-1544224383 [0,0,0,0,0,2|2,0,0]=4 979 B11R0.85 CC(=O)NCC(=O)NCC(=O)O MCULE-6060663104 [0,0,0,0,0,2|2,0,0]=4 980 B11R0.85 CC(=O)NNC(=O)CCC(=O)O MCULE-6110144216 [0,0,0,0,0,2|1,0,0]=3 981 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-6422087692 [0,0,0,0,0,2|2,0,0]=4 982 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-9753433782 [0,0,0,0,0,2|2,0,0]=4 983 B11R0.85 NC(=O)CNC(=O)CCC(=O)O MCULE-2519011568 [0,0,0,0,0,2|1,0,0]=3 984 B11R0.85 NC(=O)NCC(=O)NCC(=O)O MCULE-8988908057 [0,0,0,0,0,2|2,0,0]=4 985 B11R0.85 NC(CCC(=O)O)CCC(=O)O MCULE-1718560114 [0,0,0,0,0,2|1,0,1]=4 986 B11R0.85 O=C(O)/C=C\C(=O)NCC(=O)O MCULE-3953932840 [0,0,0,0,0,2|1,0,0]=3 987 B11R0.85 O=C(O)C=CC(=O)NCC(=O)O MCULE-5371397078 [0,0,0,0,0,2|1,0,0]=3 988 B11R0.85 O=C(O)CCC(=O)CCC(=O)O MCULE-2914369907 [0,0,0,0,0,2|0,0,0]=2 989 B11R0.85 O=C(O)CCC(=O)CCN(=O)=O MCULE-2588325470 [0,0,0,0,0,2|1,0,1]=4 990 B11R0.85 O=C(O)CCC(=O)NCC(=O)O MCULE-7360241516 [0,0,0,0,0,2|0,0,0]=2 991 B11R0.85 O=C(O)CCS(=O)CCC(=O)O MCULE-6732412360 [0,0,0,0,0,2|1,0,0]=3 992 B11R0.85 O=C(O)CSC(=S)SCC(=O)O MCULE-1853026961 [0,0,0,0,0,2|1,1,0]=4 993 B11R0.29 N=C(N)NOCCC(=O)C(=O)O MCULE-3913893109 [0,0,0,0,0,2|2,0,0]=4 994 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,0,0,0,0,2|1,0,1]=4 995 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,0,0,0,0,2|1,0,1]=4 996 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,0,0,0,0,2|1,0,1]=4 997 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,0,0,0,0,2|1,0,1]=4 998 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,0,0,0,0,2|1,0,1]=4 999 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,0,0,0,0,2|1,0,1]=4 1000 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,0,0,0,0,2|1,0,1]=4 1001 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,0,0,0,0,2|1,0,1]=4 1002 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,0,0,0,0,2|1,0,1]=4 1003 B11R0.29 O=C(O)CCCCC(=O)C(=O)O MCULE-2399783714 [0,0,0,0,0,2|0,0,0]=2