0 B10R0.3 C#CCC(=O)NCCC(=O)N abc66e20807784ef04dd9886565f5225 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.3 C#CCC(=O)NCCS(=O)O b2f2756e8dfb00ab28c690003e231d92 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.3 C#CCN(C)CCCC(=O)O df36037997382d989391ab9c3c1245da [0,0,0,0,0,0|2,0,2]=4 3 B10R0.3 C/C=C/C(=O)NCCC(=O)N a0b8033c54d9f296fc4cb819b25a0dde [0,0,0,0,0,0|2,0,2]=4 4 B10R0.3 C/C=C/C(=O)NCCS(=O)O cb44b626246e26a5ea2aff3390f3d61a [0,0,0,0,0,0|2,0,2]=4 5 B10R0.3 C=C(Br)CNCC(=O)CCC 838bf9e0afc2b2c5b654f8f2046da5d1 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.3 C=C(Br)CNCC(=O)COC f2d3cacff206647ea9784250236f499a [0,0,0,0,0,0|4,0,0]=4 7 B10R0.3 C=C(Br)CNCC(=O)NCC 317aed69602417faca5159e254027d24 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.3 C=C(Br)CNCC(=O)OCC e388ed2772a26270cac99de6ba2edfcc [0,0,0,0,0,0|4,0,0]=4 9 B10R0.3 C=C(Br)COCC(=O)CCC 327bb6a009ec6240cbe8e0cf158177f1 [0,0,0,0,0,0|3,0,0]=3 10 B10R0.3 C=C(Br)COCC(=O)COC ad839e631fd580dffb63e32ae3efaf52 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.3 C=C(Br)COCC(=O)NCC 8a74d4e5ccf35b9fdcfedc938be91960 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.3 C=C(Br)COCC(=O)OCC fecb1185e055bcfc90e53ca7b076a453 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.3 C=C(C)CCCN(C)CCC 75006465112a90c261398bcee9c6c95f [0,0,0,0,0,0|4,0,0]=4 14 B10R0.3 C=C(C)CCNC(=O)CCC afb7ac740c90404e17c253e5c073997c [0,0,0,0,0,0|3,0,0]=3 15 B10R0.3 C=C(C)CCNC(=O)CCF 07e1b8fac30238173329d74eb1945f1a [0,0,0,0,0,0|4,0,0]=4 16 B10R0.3 C=C(C)CCNC(=O)CCO 8bb851242d0d44c18374b23ea8183dfc [0,0,0,0,0,0|4,0,0]=4 17 B10R0.3 C=C(C)CCNC(=O)CCS 3f14544d51d9b6e167f96ce039497580 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.3 C=C(C)CCNC(=O)COC fa6644aa2aef9809f04546cdbfab174b [0,0,0,0,0,0|4,0,0]=4 19 B10R0.3 C=C(C)CCNC(=O)CSC e82154bd8422cd316cb2c44f0d5531ea [0,0,0,0,0,0|4,0,0]=4 20 B10R0.3 C=C(C)CCOC(=S)CCC 7d6870670521a10cfe23ba70d4b59ce4 [0,0,0,0,0,0|3,1,0]=4 21 B10R0.3 C=C(C)CNCC(=O)CCC 068d9335d15f0a9692a8aa0a8b49b1c4 [0,0,0,0,0,0|3,0,0]=3 22 B10R0.3 C=C(C)CNCC(=O)COC 8c137f6e02174a67cc2a8f18b711e05c [0,0,0,0,0,0|4,0,0]=4 23 B10R0.3 C=C(C)CNCC(=O)NCC ce1f46211fe6bd9c7e3aeb1d9a397a74 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.3 C=C(C)CNCC(=O)OCC 92642587a4bd71eae0ff8adb7bd32cc2 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.3 C=C(C)COCC(=O)CCC 003d5185bb33c292b7a4e452aacb00fa [0,0,0,0,0,0|3,0,0]=3 26 B10R0.3 C=C(C)COCC(=O)COC 07150d253435059c1cfa47767cc98d6e [0,0,0,0,0,0|4,0,0]=4 27 B10R0.3 C=C(C)COCC(=O)NCC a5d102f39628fdfc99492589b853a898 [0,0,0,0,0,0|4,0,0]=4 28 B10R0.3 C=C(C)COCC(=O)OCC 935fee7e21827ff3e855551827c663c0 [0,0,0,0,0,0|4,0,0]=4 29 B10R0.3 C=C(Cl)CNCC(=O)NCC be19118089eed7452200e44da8042619 [0,0,0,0,0,0|4,0,0]=4 30 B10R0.3 C=C(Cl)CNCC(=O)OCC 15e8ab8588bc2efb5dd2d28be4984238 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.3 C=C(Cl)COCC(=O)CCC 27c159dab904bd5022803062cae6b987 [0,0,0,0,0,0|3,0,0]=3 32 B10R0.3 C=C(Cl)COCC(=O)COC 75f167d821a114ee966cf9845fabad5d [0,0,0,0,0,0|4,0,0]=4 33 B10R0.3 C=C(Cl)COCC(=O)NCC a298d63ebda6ae42a2013f811b4ce370 [0,0,0,0,0,0|4,0,0]=4 34 B10R0.3 C=C(Cl)COCC(=O)OCC 00a156ec769d1d3e2b2725cc6ff9e61c [0,0,0,0,0,0|4,0,0]=4 35 B10R0.3 C=C(F)CNCC(=O)NCC 0c866bf74b5378b2857b75c75d4bbdcd [0,0,0,0,0,0|4,0,0]=4 36 B10R0.3 C=C(F)CNCC(=O)OCC 7030a408c07ab4727e4081412d8b345c [0,0,0,0,0,0|4,0,0]=4 37 B10R0.3 C=C(F)COCC(=O)CCC 268b5485d9107d8a13cfc3981ea6c5da [0,0,0,0,0,0|3,0,0]=3 38 B10R0.3 C=C(F)COCC(=O)NCC f8d108bddbeebd59101a77477f7386cd [0,0,0,0,0,0|4,0,0]=4 39 B10R0.3 C=C(F)COCC(=O)OCC 93c2dbe3c4ce12c50df8750874990e70 [0,0,0,0,0,0|4,0,0]=4 40 B10R0.3 C=C(I)COCC(=O)CCC e868f50dcef09deea38caae6e82f32a8 [0,0,0,0,0,0|3,0,0]=3 41 B10R0.3 C=C(I)COCC(=O)COC e655d2380993a33a7a4440f61c108f98 [0,0,0,0,0,0|4,0,0]=4 42 B10R0.3 C=C(I)COCC(=O)NCC f33c3e1c1c93df3768c7b50accae15fe [0,0,0,0,0,0|4,0,0]=4 43 B10R0.3 C=C(I)COCC(=O)OCC 840fcd6e6dab9a2e21339493e2c6f59e [0,0,0,0,0,0|4,0,0]=4 44 B10R0.3 C=CCC(=O)NCCC(=O)N 5e5ac69419360ddece962f3449fd46c4 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.3 C=CCC(=O)NCCS(=O)O ec649020ca22edc778ebf1571f89a7bc [0,0,0,0,0,0|2,0,2]=4 46 B10R0.3 C=CCN(C)CCCC(=O)O 382ba004b96a83684fac5160dfcca5ef [0,0,0,0,0,0|2,0,2]=4 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[0,0,0,0,0,0|3,0,1]=4 59 B10R0.3 CC(O)CCNC(=O)CCS f4f5ca1eade9289110564107510579f8 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.3 CCCC(=O)CNCC(=O)C 2f2bca955c317c66027ee57e4b8faaa3 [0,0,0,0,0,0|2,0,0]=2 61 B10R0.3 CCCC(=O)CNCC(=O)N 3bf45dfe537089ee19de7c3b6190c7f7 [0,0,0,0,0,0|2,0,0]=2 62 B10R0.3 CCCC(=O)CNCC(=O)O f6744a3232fc9ea52fb0c8708fe4d8b3 [0,0,0,0,0,0|1,0,0]=1 63 B10R0.3 CCCC(=O)CNCC(C)C d6dbda926415cfa91fe09dacaed5a50b [0,0,0,0,0,0|3,0,1]=4 64 B10R0.3 CCCC(=O)CNCC(C)O 8caf9004f6887c9f4fde44237fb38f37 [0,0,0,0,0,0|2,0,1]=3 65 B10R0.3 CCCC(=O)CNCC(F)F 00412f49566b57c6220ec1287a2cfa5e [0,0,0,0,0,0|3,0,1]=4 66 B10R0.3 CCCC(=O)CNC[C@@H](C)O 427570fe3164dc21a4ae2b59c46b65c3 [0,0,0,0,0,0|2,0,1]=3 67 B10R0.3 CCCC(=O)CNC[C@H](C)O a58bca160ef266fd5766bbca5a179402 [0,0,0,0,0,0|2,0,1]=3 68 B10R0.3 CCCC(=O)COCC(=O)C d084d6d5aefe17d20bd2d81df30cc1b6 [0,0,0,0,0,0|2,0,0]=2 69 B10R0.3 CCCC(=O)COCC(=O)N 11fe1237cc753939463e7f691abbe7b2 [0,0,0,0,0,0|2,0,0]=2 70 B10R0.3 CCCC(=O)COCC(=S)N 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CCCC(=O)NCCC(C)O 435d9016502776865e9e7740d06dc2b2 [0,0,0,0,0,0|2,0,1]=3 83 B10R0.3 CCCC(=O)NCCC(F)F 90766d09c0575f4ece910f5bbd8ce4e1 [0,0,0,0,0,0|3,0,1]=4 84 B10R0.3 CCCC(=O)NCCN(C)C b879d7317da648cb08676edd66824f73 [0,0,0,0,0,0|4,0,0]=4 85 B10R0.3 CCCC(=O)NCCS(=O)C f139ea336f1ef8ebfffc4e993a1ede56 [0,0,0,0,0,0|3,0,0]=3 86 B10R0.3 CCCC(=O)NCCS(=O)O 9f696750cf56a0a5f3e78e86b2e771dd [0,0,0,0,0,0|2,0,0]=2 87 B10R0.3 CCCC(=O)NCC[C@@H](C)O fc63587775c8491198cda2d65c27060a [0,0,0,0,0,0|2,0,1]=3 88 B10R0.3 CCCC(=O)NCC[C@H](C)O cac8a742c35c278f106b0c5e309642e0 [0,0,0,0,0,0|2,0,1]=3 89 B10R0.3 CCCC(=S)OCCC(=O)C 3192852c8bc2834f8b9f3940ade8bd14 [0,0,0,0,0,0|2,1,0]=3 90 B10R0.3 CCCC(=S)OCCC(=O)N f57298a1aa63ed82abff6587443314da [0,0,0,0,0,0|2,1,0]=3 91 B10R0.3 CCCC(=S)OCCC(=O)O 464e0bb047bef3541ae278d195f183f1 [0,0,0,0,0,0|1,1,0]=2 92 B10R0.3 CCCC(=S)OCCS(=O)C c2c362b7b8cb1d0aedc9339ded101b60 [0,0,0,0,0,0|3,1,0]=4 93 B10R0.3 CCCC(=S)OCOC(=O)C 590125cbcb325abb5ad1487f61ea095a [0,0,0,0,0,0|3,1,0]=4 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[0,0,0,0,0,0|3,0,1]=4 106 B10R0.3 CCCC(C)OCCC(=O)C 3778cd23d00521ffbf2c28aaf2ea07be [0,0,0,0,0,0|3,0,1]=4 107 B10R0.3 CCCC(C)OCCC(=O)N c3f80014430b01935093f4410f6be37b [0,0,0,0,0,0|3,0,1]=4 108 B10R0.3 CCCC(C)OCCC(=O)O cd7765db58067b8d271ab27a4046a51d [0,0,0,0,0,0|2,0,1]=3 109 B10R0.3 CCCC(O)CNCC(=O)N cb6ee76db4d7fc0aa6c023911b2d21b3 [0,0,0,0,0,0|2,0,2]=4 110 B10R0.3 CCCC(O)CNCC(=O)O 6185231d2d1cdd5381a69894c5ca9dde [0,0,0,0,0,0|1,0,2]=3 111 B10R0.3 CCCN(C)C/C=C/C(=O)O 16706090ace252ea30acc0270329a425 [0,0,0,0,0,0|2,0,2]=4 112 B10R0.3 CCCN(C)CC=CC(=O)O e55f2dc918ec3cc962fd1fa8ea3151f8 [0,0,0,0,0,0|2,0,2]=4 113 B10R0.3 CCCN(C)CCCC(=O)C e453eeaabda979f73e4bb02dca502e16 [0,0,0,0,0,0|3,0,0]=3 114 B10R0.3 CCCN(C)CCCC(=O)N 90cd7a22a132251f7d2dcd4e55a9d6a0 [0,0,0,0,0,0|3,0,0]=3 115 B10R0.3 CCCN(C)CCCC(=O)O 9751eaee21e111646019663fdf1bce9f [0,0,0,0,0,0|2,0,0]=2 116 B10R0.3 CCCN(C)CCCC(C)O bcb8921018679fc023b0f411f18b9d7c [0,0,0,0,0,0|3,0,1]=4 117 B10R0.3 CCCN(C)CCC[N+](=O)[O-] bd45364b624c2260743433441f7cba26 [0,0,0,0,0,0|3,0,1]=4 118 B10R0.3 CCCN(C)CCNC(=O)C 36128a19b984220157c266858e8cb52a [0,0,0,0,0,0|4,0,0]=4 119 B10R0.3 CCCN(C)CCNC(=O)N 45380052e304957e88b03cdd56e27182 [0,0,0,0,0,0|4,0,0]=4 120 B10R0.3 CCCN(C)CCOC(=O)C d27191e20fb0a08b26d3b2e2691328c1 [0,0,0,0,0,0|4,0,0]=4 121 B10R0.3 CCCN(C)CCSC(=O)C 9fe3b0e7bcba658d6fc90e58ad36e0df [0,0,0,0,0,0|4,0,0]=4 122 B10R0.3 CCC[C@@H](C)OCCC(=O)C b51690e8ce68e4f5d29359acf4cf0109 [0,0,0,0,0,0|3,0,1]=4 123 B10R0.3 CCC[C@@H](C)OCCC(=O)N b7c851c86df9d174798e9828efb58acc [0,0,0,0,0,0|3,0,1]=4 124 B10R0.3 CCC[C@@H](C)OCCC(=O)O 44d33eae61d440fb5b7c12da3bf4ec3d [0,0,0,0,0,0|2,0,1]=3 125 B10R0.3 CCC[C@H](C)NCCC(=O)C 98424580f397d864b96e28f5052d84f4 [0,0,0,0,0,0|3,0,1]=4 126 B10R0.3 CCC[C@H](C)NCCC(=O)N 90c2803fb614958ff1b8e6e83e896aae [0,0,0,0,0,0|3,0,1]=4 127 B10R0.3 CCC[C@H](C)NCCC(=O)O bbc61fde1fc94950995749984d9e588f [0,0,0,0,0,0|2,0,1]=3 128 B10R0.3 CCC[C@H](C)OCCC(=O)C d32458ec547f9bb264745e9ee2ac1a5a [0,0,0,0,0,0|3,0,1]=4 129 B10R0.3 CCC[C@H](C)OCCC(=O)N b110810b812b48b12d783f572e935b38 [0,0,0,0,0,0|3,0,1]=4 130 B10R0.3 CCC[C@H](C)OCCC(=O)O 0890830da3e1d264cc404d292d58748e [0,0,0,0,0,0|2,0,1]=3 131 B10R0.3 CCNC(=O)CNCC(=O)C 08c5cedda8dfa89b7df4fb9da27dcfe6 [0,0,0,0,0,0|3,0,0]=3 132 B10R0.3 CCNC(=O)CNCC(=O)N 071e713d026a0eadecb1c5d3c06880e3 [0,0,0,0,0,0|3,0,0]=3 133 B10R0.3 CCNC(=O)CNCC(=O)O 5868f69ce9a819991fa9d054e5cade5b [0,0,0,0,0,0|2,0,0]=2 134 B10R0.3 CCNC(=O)CNCC(C)O e21af5259da2cfb7fc72229a4c4516b5 [0,0,0,0,0,0|3,0,1]=4 135 B10R0.3 CCNC(=O)CNC[C@@H](C)O 04653aa517250896ac8cf6b868382bcb [0,0,0,0,0,0|3,0,1]=4 136 B10R0.3 CCNC(=O)CNC[C@H](C)O 7853dfa602206c37a162c6e10909c3d8 [0,0,0,0,0,0|3,0,1]=4 137 B10R0.3 CCNC(=O)CNC[N+](=O)[O-] a9d8b6f3843b21e3d154f6cb161e46c4 [0,0,0,0,0,0|3,0,1]=4 138 B10R0.3 CCNC(=O)COCC(=O)C edadb1c7b21331d249ea77ed943afbb3 [0,0,0,0,0,0|3,0,0]=3 139 B10R0.3 CCNC(=O)COCC(=O)N afe07fa406afe2e34057bcd2cfbd9610 [0,0,0,0,0,0|3,0,0]=3 140 B10R0.3 CCNC(=O)COCC(=O)O 55f7281944b5c807844d06a57ca67aed [0,0,0,0,0,0|2,0,0]=2 141 B10R0.3 CCNC(=O)COCC(=S)N 5f5739d651852cf1bd58a38981f25114 [0,0,0,0,0,0|3,1,0]=4 142 B10R0.3 CCNC(=O)COCS(=O)O 15af78cf649d5cbe329fd09830b97f4a [0,0,0,0,0,0|3,0,0]=3 143 B10R0.3 CCNC(=O)COC[N+](=O)[O-] 889119458e108da99b5a1fe8393dd00f [0,0,0,0,0,0|3,0,1]=4 144 B10R0.3 CCOC(=O)CCNC(=O)C 2bf0e8c535336d39c394f92a0ff1db48 [0,0,0,0,0,0|3,0,0]=3 145 B10R0.3 CCOC(=O)CNCC(=O)C 4cf4dd2df9859a0051dc28742d628c83 [0,0,0,0,0,0|3,0,0]=3 146 B10R0.3 CCOC(=O)CNCC(=O)N 7951652a3f7bae111d28763a0367bd50 [0,0,0,0,0,0|3,0,0]=3 147 B10R0.3 CCOC(=O)CNCC(=O)O 673a5c5a01e83fc2e5ca0210f3ce27ba [0,0,0,0,0,0|2,0,0]=2 148 B10R0.3 CCOC(=O)CNCC(C)O 9fb464870826f03da21f2b03117e6ea6 [0,0,0,0,0,0|3,0,1]=4 149 B10R0.3 CCOC(=O)CNC[C@@H](C)O f1686031fb481639b214e11b7e59fc49 [0,0,0,0,0,0|3,0,1]=4 150 B10R0.3 CCOC(=O)CNC[C@H](C)O 8877edba6d3b750453ee21c862c72a31 [0,0,0,0,0,0|3,0,1]=4 151 B10R0.3 CCOC(=O)CNC[N+](=O)[O-] 59dda1f91803094981f5da4e5eff26d9 [0,0,0,0,0,0|3,0,1]=4 152 B10R0.3 CCOC(=O)COCC(=O)C 582b9711c7edac48bd3c8a33f0d73ee9 [0,0,0,0,0,0|3,0,0]=3 153 B10R0.3 CCOC(=O)COCC(=O)N 0a73eeecc923936620efd228de2517f8 [0,0,0,0,0,0|3,0,0]=3 154 B10R0.3 CCOC(=O)COCC(=O)O 687aeb9b913df1140d633a4db778378f [0,0,0,0,0,0|2,0,0]=2 155 B10R0.3 CCOC(=O)COCC(=S)N bd8dab14dccda3ab724f25707e4706ba [0,0,0,0,0,0|3,1,0]=4 156 B10R0.3 CCOC(=O)COCS(=O)O 97538aece0b5aadbfe5ae6c836e47496 [0,0,0,0,0,0|3,0,0]=3 157 B10R0.3 CCOC(=O)COC[N+](=O)[O-] 10c1cc09a22adab50fa137feffca86a8 [0,0,0,0,0,0|3,0,1]=4 158 B10R0.3 CCOC(C)CNCC(=O)O e9c3649a42578b1b1ebf161cc8f5de97 [0,0,0,0,0,0|3,0,1]=4 159 B10R0.3 CCOC(C)COCC(=O)O c71b783608e1cfb51637c1737d0ac103 [0,0,0,0,0,0|3,0,1]=4 160 B10R0.3 CN(CC#N)CCCC(=O)O 60fd9d19c545dd2b6e6bae357c348324 [0,0,0,0,0,0|3,0,1]=4 161 B10R0.3 CN(CC=O)CCCC(=O)O 67f0fb1d0af79e0700b8da074a931b71 [0,0,0,0,0,0|3,0,1]=4 162 B10R0.3 CN(CCF)CCCC(=O)N df55986a1976ed997ac78a93ba7846a5 [0,0,0,0,0,0|4,0,0]=4 163 B10R0.3 CN(CCF)CCCC(=O)O 4c38ea739b9635394e77f228ee5e138d [0,0,0,0,0,0|3,0,0]=3 164 B10R0.3 CN(CCO)CCCC(=O)N bb03171d6f3ec905768299bc52f97413 [0,0,0,0,0,0|4,0,0]=4 165 B10R0.3 CN(CCO)CCCC(=O)O e980326d3fdba0b0247c16f9a666c94f [0,0,0,0,0,0|3,0,0]=3 166 B10R0.3 CN(CCS)CCCC(=O)N dd01beb1a1e3ed8de5c77dc9d3cd82be [0,0,0,0,0,0|4,0,0]=4 167 B10R0.3 CN(CCS)CCCC(=O)O 113e86c829e2c3cd90c5cce1d77af364 [0,0,0,0,0,0|3,0,0]=3 168 B10R0.3 COCC(=O)CNCC(=O)C 00e13fd0ce2764807f5953b1313e7504 [0,0,0,0,0,0|3,0,0]=3 169 B10R0.3 COCC(=O)CNCC(=O)N da32f632f1185efa8d0d77100338c042 [0,0,0,0,0,0|3,0,0]=3 170 B10R0.3 COCC(=O)CNCC(C)O 45080df13267181826130b917be2a3f7 [0,0,0,0,0,0|3,0,1]=4 171 B10R0.3 COCC(=O)CNC[C@@H](C)O a19e0807690ae09c22a333c276cc8b94 [0,0,0,0,0,0|3,0,1]=4 172 B10R0.3 COCC(=O)CNC[C@H](C)O ebe61a0d6ea6cb249920f9d969a8d411 [0,0,0,0,0,0|3,0,1]=4 173 B10R0.3 COCC(=O)COCC(=O)C f0a93d18f1db6627880228957785f18e [0,0,0,0,0,0|3,0,0]=3 174 B10R0.3 COCC(=O)COCC(=O)N 6fe84faba0203abefa5a6754893c7082 [0,0,0,0,0,0|3,0,0]=3 175 B10R0.3 COCC(=O)COCC(=S)N 4615e6745d5dbcf76bdc8802b748959b [0,0,0,0,0,0|3,1,0]=4 176 B10R0.3 COCC(=O)COCS(=O)O 87aafe3a55de0be795c491414e1000ae [0,0,0,0,0,0|3,0,0]=3 177 B10R0.3 COCC(=O)NCCC(=O)N b4c496aaeebe1327415bda98a006ce7f [0,0,0,0,0,0|3,0,0]=3 178 B10R0.3 COCC(=O)NCCC(=S)N 461a15f3285cedc50029905d8546a1c0 [0,0,0,0,0,0|3,1,0]=4 179 B10R0.3 COCC(=O)NCCC(C)O a7603ac2f49528f66b46aa75e701367c [0,0,0,0,0,0|3,0,1]=4 180 B10R0.3 COCC(=O)NCCS(=O)C 2e25a7f13dbfccb5293f354f30bed9aa [0,0,0,0,0,0|4,0,0]=4 181 B10R0.3 COCC(=O)NCCS(=O)O 0305ca7b5ee4df6fc179540c18686971 [0,0,0,0,0,0|3,0,0]=3 182 B10R0.3 COCC(=O)NCC[C@@H](C)O 32fb036af975bd24cad7b2895f27d80d [0,0,0,0,0,0|3,0,1]=4 183 B10R0.3 COCC(=O)NCC[C@H](C)O 0a4b90d567bfabc800daa236691eccaa [0,0,0,0,0,0|3,0,1]=4 184 B10R0.3 COCC(C)NCCC(=O)O 3006a7722f50b2dead482d21ca01fc32 [0,0,0,0,0,0|3,0,1]=4 185 B10R0.3 COCC(C)OCCC(=O)O e39ee66cdd77b78a4c1d770bc296cd28 [0,0,0,0,0,0|3,0,1]=4 186 B10R0.3 COCC(O)CNCC(=O)O 52119a08736932bcdc1397e33d3d35d6 [0,0,0,0,0,0|2,0,2]=4 187 B10R0.3 COCN(C)CCCC(=O)N 283dcad524f47c8c3a6a64b87dfabcf2 [0,0,0,0,0,0|4,0,0]=4 188 B10R0.3 COCN(C)CCCC(=O)O af4527a064376eb42fa999e647112469 [0,0,0,0,0,0|3,0,0]=3 189 B10R0.3 COC[C@@H](C)NCCC(=O)O 65e998b1daa28d7cf193c27aad500787 [0,0,0,0,0,0|3,0,1]=4 190 B10R0.3 COC[C@@H](C)OCCC(=O)O 1f31f493223f0d4d5e3a7f37a1229ce2 [0,0,0,0,0,0|3,0,1]=4 191 B10R0.3 COC[C@@H](O)CNCC(=O)O 7bd50784303fbb3f6c66531490522002 [0,0,0,0,0,0|2,0,2]=4 192 B10R0.3 COC[C@H](C)NCCC(=O)O b7aee2b96b3ff1cbc6f0249a05f914d6 [0,0,0,0,0,0|3,0,1]=4 193 B10R0.3 COC[C@H](C)OCCC(=O)O 9b21bad398f669b6ea0ca61facbd4694 [0,0,0,0,0,0|3,0,1]=4 194 B10R0.3 CS(=O)CCNC(=O)CCF bef302c91022ada6129ed6b659fe278c [0,0,0,0,0,0|4,0,0]=4 195 B10R0.3 CS(=O)CCNC(=O)CCO 556ce695f88257e437c5e104644fdeca [0,0,0,0,0,0|4,0,0]=4 196 B10R0.3 CS(=O)CCNC(=O)CCS b2bff91e8abac7537fc5b1e7922d35b5 [0,0,0,0,0,0|4,0,0]=4 197 B10R0.3 CSCC(=O)NCCC(=O)N 7c2fd988a90b14085656b5a73b786d9c [0,0,0,0,0,0|3,0,0]=3 198 B10R0.3 CSCC(=O)NCCC(=S)N 93b6b11391d11a3215cd069adc085ed9 [0,0,0,0,0,0|3,1,0]=4 199 B10R0.3 CSCC(=O)NCCC(C)O 7848e46ae3808e0ac9d1efe18cbfd4dd [0,0,0,0,0,0|3,0,1]=4 200 B10R0.3 CSCC(=O)NCCS(=O)C 330f9497ecf24e087f666bb454c1da25 [0,0,0,0,0,0|4,0,0]=4 201 B10R0.3 CSCC(=O)NCCS(=O)O 670f31aaf9ec7c4b1596513ad8e35801 [0,0,0,0,0,0|3,0,0]=3 202 B10R0.3 CSCC(=O)NCC[C@@H](C)O d57c31401e2b1b463900225e10802c2e [0,0,0,0,0,0|3,0,1]=4 203 B10R0.3 CSCC(=O)NCC[C@H](C)O a77f0322c4a11e039227a28e2626e4e3 [0,0,0,0,0,0|3,0,1]=4 204 B10R0.3 CSCC(C)OCCC(=O)O 77f8b875b8d633a91fab5dab3717f6fd [0,0,0,0,0,0|3,0,1]=4 205 B10R0.3 CSCN(C)CCCC(=O)N 4e0f439f78768eb66c80d3573eec6675 [0,0,0,0,0,0|4,0,0]=4 206 B10R0.3 CSCN(C)CCCC(=O)O b5a176ab3ecb9b99a1b09fc720cbc703 [0,0,0,0,0,0|3,0,0]=3 207 B10R0.3 C[C@@H](CCO)NCCC(=O)O b7974eb5f54d88d07b869f797d8e8d77 [0,0,0,0,0,0|3,0,1]=4 208 B10R0.3 C[C@@H](O)CCNC(=O)CCF 5d942b71f30ee5bb5b506a8e530c16a6 [0,0,0,0,0,0|3,0,1]=4 209 B10R0.3 C[C@@H](O)CCNC(=O)CCO 2ae5cb4a4c415b6bf6da4a8ef184c522 [0,0,0,0,0,0|3,0,1]=4 210 B10R0.3 C[C@@H](O)CCNC(=O)CCS 432196bb14ac1402e33ec9699dd4e236 [0,0,0,0,0,0|3,0,1]=4 211 B10R0.3 C[C@H](CCO)NCCC(=O)O d0ce9bdeed6e375dc7dd36721ecd209e [0,0,0,0,0,0|3,0,1]=4 212 B10R0.3 C[C@H](O)CCNC(=O)CCF 64b04acb93a1730976c7d1257fe03e5e [0,0,0,0,0,0|3,0,1]=4 213 B10R0.3 C[C@H](O)CCNC(=O)CCO d233aaf5f171aeb9d874c61ed6e4d942 [0,0,0,0,0,0|3,0,1]=4 214 B10R0.3 C[C@H](O)CCNC(=O)CCS c40466dd1c4f545a251381c498a9e210 [0,0,0,0,0,0|3,0,1]=4 215 B10R0.3 N#CCC(=O)NCCC(=O)N 1f1ed78abaa70988597f87b17204a5f7 [0,0,0,0,0,0|3,0,1]=4 216 B10R0.3 N#CCC(=O)NCCS(=O)O 9b15a513b74664c86df16722a6d8d137 [0,0,0,0,0,0|3,0,1]=4 217 B10R0.3 N#CNC(=O)CCCC(=O)N 49e7cc794fc8e4b6f8f0c4acfa9057af [0,0,0,0,0,0|3,0,1]=4 218 B10R0.3 N#CNC(=O)NCCC(=O)O 9e8c3c31dc801710d18ed1a3a60f1802 [0,0,0,0,0,0|3,0,1]=4 219 B10R0.3 NC(=O)CCNC(=O)CC=O 7eec5fa951fd1ba9b4668c1e1478c00a [0,0,0,0,0,0|3,0,1]=4 220 B10R0.3 NC(=O)CCNC(=O)CCF f52512ebb59cc39c47af94326b4b5b39 [0,0,0,0,0,0|3,0,0]=3 221 B10R0.3 NC(=O)CCNC(=O)CCO c1fa7bb1f90f8e6b0406a817b7a8c4e1 [0,0,0,0,0,0|3,0,0]=3 222 B10R0.3 NC(=O)CCNC(=O)CCS 9bf560d0b8b27aca88bbfaf420a5e6b7 [0,0,0,0,0,0|3,0,0]=3 223 B10R0.3 NC(=O)CNCC(=O)NCO d11461f9205297a056d383792a9dff73 [0,0,0,0,0,0|4,0,0]=4 224 B10R0.3 NC(=S)CCNC(=O)CCF 55da839631702d5b0e480d02d7b55f11 [0,0,0,0,0,0|3,1,0]=4 225 B10R0.3 NC(=S)CCNC(=O)CCO bd3d92d1214fcb213ece0738efe9b4d9 [0,0,0,0,0,0|3,1,0]=4 226 B10R0.3 NC(=S)CCNC(=O)CCS 7a5b53c1e8ca4b3bf936cd92f8d14b54 [0,0,0,0,0,0|3,1,0]=4 227 B10R0.3 NOCC(=O)NCCC(=O)N 334a58f8e15fcb07e1025d28925bfaac [0,0,0,0,0,0|4,0,0]=4 228 B10R0.3 NOCC(=O)NCCS(=O)O a01e2ce82336a607e2706c9b9b8b0ad5 [0,0,0,0,0,0|4,0,0]=4 229 B10R0.3 O=C(CCF)NCCS(=O)O fc2c18d5514f4145a43ac4469af3283e [0,0,0,0,0,0|3,0,0]=3 230 B10R0.3 O=C(CCO)NCCS(=O)O 94307f07c05fb800247dbdec17f46808 [0,0,0,0,0,0|3,0,0]=3 231 B10R0.3 O=C(CCS)NCCS(=O)O 0f177965c41bc07e24b911e72fb8f6b4 [0,0,0,0,0,0|3,0,0]=3 232 B10R0.3 O=C(O)CNCC(=O)NCO f6143ada8548bc323c1345f61fd01940 [0,0,0,0,0,0|3,0,0]=3 233 B10R0.3 O=C(O)CNC[C@@H](O)CCO 07c1856b839d5e4ec495cf7d893557af [0,0,0,0,0,0|2,0,2]=4 234 B10R0.3 O=C(O)COC[C@@H](O)CCO e996c248f069277500d22b0236e850b4 [0,0,0,0,0,0|2,0,2]=4 235 B10R0.3 O=CCC(=O)NCCS(=O)O edcc128db1bda1e92da518b81f35ed84 [0,0,0,0,0,0|3,0,1]=4 236 B9R0.1 C=C(Br)CNCC(=O)CC 150256356a16136a8096145cb197c058 [1,0,0,0,0,0|3,0,0]=4 237 B9R0.1 C=C(Br)COCC(=O)CC eb6c1f54ccb0248628067314a1fba862 [1,0,0,0,0,0|3,0,0]=4 238 B9R0.1 C=C(C)CCNC(=O)CC c0849ae324a4527830c5955e89b51c09 [1,0,0,0,0,0|3,0,0]=4 239 B9R0.1 C=C(C)CNCC(=O)CC cd454918bf8eb86d4e5c362f8a3004ea [1,0,0,0,0,0|3,0,0]=4 240 B9R0.1 C=C(C)COCC(=O)CC 99655a47b1d4e2a1598c06aa759ad9bc [1,0,0,0,0,0|3,0,0]=4 241 B9R0.1 C=C(CC)CNCC(=O)C 205628c3f1d4d54a613a330b5d6c2214 [1,0,0,0,0,0|3,0,0]=4 242 B9R0.1 C=C(CC)CNCC(=O)N 94b4243675063b97fbaab08b2e05f843 [1,0,0,0,0,0|3,0,0]=4 243 B9R0.1 C=C(CC)CNCC(=O)O 3494cd583a0b63f9a90da7dbe9a93496 [1,0,0,0,0,0|2,0,0]=3 244 B9R0.1 C=C(CC)COCC(=O)C f78ccdd12164ec1e55403e8a41ad2fdd [1,0,0,0,0,0|3,0,0]=4 245 B9R0.1 C=C(CC)COCC(=O)N 4f32e5a5255bcb5998807b1f2368f780 [1,0,0,0,0,0|3,0,0]=4 246 B9R0.1 C=C(CC)COCC(=O)O ee3b330f9d46b7ad6bddc2068ae1158b [1,0,0,0,0,0|2,0,0]=3 247 B9R0.1 C=C(CC)COCS(=O)O 7aab1649717de3c8233335d122bd8463 [1,0,0,0,0,0|3,0,0]=4 248 B9R0.1 C=C(CNCC(=O)O)OC f4fd4a44109d7013bab3a36a299e88b2 [1,0,0,0,0,0|3,0,0]=4 249 B9R0.1 C=C(CO)CNCC(=O)O cc7acc22e8e7c17a96eec1e4e62087c5 [1,0,0,0,0,0|3,0,0]=4 250 B9R0.1 C=C(COCC(=O)O)OC f9327aabdff60543e9573117092b2bbe [1,0,0,0,0,0|3,0,0]=4 251 B9R0.1 C=C(Cl)COCC(=O)CC 9e546e971efbf8afa86e84bd4b0a76c6 [1,0,0,0,0,0|3,0,0]=4 252 B9R0.1 C=C(F)COCC(=O)CC 27a27219b5c8690d7c76c9d1b13a65d9 [1,0,0,0,0,0|3,0,0]=4 253 B9R0.1 C=C(I)COCC(=O)CC d079345c815971c2e683dde0edb76165 [1,0,0,0,0,0|3,0,0]=4 254 B9R0.1 CC(=O)CNCC(=O)CO a884728253f1dbd88805a142b0c876b6 [1,0,0,0,0,0|3,0,0]=4 255 B9R0.1 CCC(=O)CNCC(=O)C 938d73b249bc6dd4594641d324714cb6 [1,0,0,0,0,0|2,0,0]=3 256 B9R0.1 CCC(=O)CNCC(=O)N b1f11e2d5f5ee8c4d027ab9d5809c520 [1,0,0,0,0,0|2,0,0]=3 257 B9R0.1 CCC(=O)CNCC(=O)O 7018cc82507b5cf3388be4a1b0a3b91b [1,0,0,0,0,0|1,0,0]=2 258 B9R0.1 CCC(=O)CNCC(C)O a20b1e849513a8941047bd9c440c4344 [1,0,0,0,0,0|2,0,1]=4 259 B9R0.1 CCC(=O)CNC[C@@H](C)O 2e3fedb1efa9f0f66bc486911a9f8e3a [1,0,0,0,0,0|2,0,1]=4 260 B9R0.1 CCC(=O)CNC[C@H](C)O 61f52c4a5ade0238ce10614525e75211 [1,0,0,0,0,0|2,0,1]=4 261 B9R0.1 CCC(=O)COCC(=O)C c66cb35c51394e114e947994917edf5c [1,0,0,0,0,0|2,0,0]=3 262 B9R0.1 CCC(=O)COCC(=O)N 4d32515e208c3a78476e0dfcc1e32b89 [1,0,0,0,0,0|2,0,0]=3 263 B9R0.1 CCC(=O)COCC(=O)O 1a72a234de91ee3fa394daead68a119d [1,0,0,0,0,0|1,0,0]=2 264 B9R0.1 CCC(=O)COCC(=S)N bc9043edee8ccaefa6b943002e0ae8a1 [1,0,0,0,0,0|2,1,0]=4 265 B9R0.1 CCC(=O)COCS(=O)O 98632b158ffaf2399404c1c73005ee05 [1,0,0,0,0,0|2,0,0]=3 266 B9R0.1 CCC(=O)COC[N+](=O)[O-] 4de3051696188d5a78bf7bcb28313f91 [1,0,0,0,0,0|2,0,1]=4 267 B9R0.1 CCC(=O)NCCC(=O)N 17f638fb9136d22630942c7277f78330 [1,0,0,0,0,0|2,0,0]=3 268 B9R0.1 CCC(=O)NCCC(=S)N f02d123a248901075645d1862f20968f [1,0,0,0,0,0|2,1,0]=4 269 B9R0.1 CCC(=O)NCCC(C)O 2aec2e6bb9fbc54ce13f19b2630a008a [1,0,0,0,0,0|2,0,1]=4 270 B9R0.1 CCC(=O)NCCS(=O)C 0a43abd0c9593f06f1b54bc82efd02c1 [1,0,0,0,0,0|3,0,0]=4 271 B9R0.1 CCC(=O)NCCS(=O)O 47bf6ac1d2cd1854145b39436f351711 [1,0,0,0,0,0|2,0,0]=3 272 B9R0.1 CCC(=O)NCC[C@@H](C)O dc1da85b4b434a8327a030b4b9c29cc5 [1,0,0,0,0,0|2,0,1]=4 273 B9R0.1 CCC(=O)NCC[C@H](C)O e060f68859aae796ceb23995e0446069 [1,0,0,0,0,0|2,0,1]=4 274 B9R0.1 CCC(C)CNCC(=O)O 87c69323a9e1a04a6ee6d76377703b82 [1,0,0,0,0,0|2,0,1]=4 275 B9R0.1 CCC(C)COCC(=O)O 1a5759c434f27c176d5bad2fa82f04ef [1,0,0,0,0,0|2,0,1]=4 276 B9R0.1 CCC(C)NCCC(=O)O a58859ee191bb6759b209bcd54bebe4e [1,0,0,0,0,0|2,0,1]=4 277 B9R0.1 CCC(C)OCCC(=O)O 861df1c98ebd5a3521ba6de3206bc80e [1,0,0,0,0,0|2,0,1]=4 278 B9R0.1 CCC(O)CNCC(=O)O 03d5356d375bf79d740c17da46436b7f [1,0,0,0,0,0|1,0,2]=4 279 B9R0.1 CCN(C)CCCC(=O)C 41478ee9c5261856d551150317f5e6d2 [1,0,0,0,0,0|3,0,0]=4 280 B9R0.1 CCN(C)CCCC(=O)N 5457b0b5f3c627b5bbae3b3b0443c3e6 [1,0,0,0,0,0|3,0,0]=4 281 B9R0.1 CCN(C)CCCC(=O)O 95bc41ded99741417784aba721ce87aa [1,0,0,0,0,0|2,0,0]=3 282 B9R0.1 CC[C@@H](C)CNCC(=O)O 98f2dd2d2950413d052b4cb7e53dbe2b [1,0,0,0,0,0|2,0,1]=4 283 B9R0.1 CC[C@@H](C)COCC(=O)O 8b143e0422b6a9e950b67a2c284bdd65 [1,0,0,0,0,0|2,0,1]=4 284 B9R0.1 CC[C@@H](C)NCCC(=O)O 1e341985822ae038516e7d3d57e3d5f1 [1,0,0,0,0,0|2,0,1]=4 285 B9R0.1 CC[C@@H](C)OCCC(=O)O 460df0b016032744699dec10515440f9 [1,0,0,0,0,0|2,0,1]=4 286 B9R0.1 CC[C@@H](O)CNCC(=O)O 03733baf1864df61afe14ccbe323ed3e [1,0,0,0,0,0|1,0,2]=4 287 B9R0.1 CC[C@H](C)CNCC(=O)O 3004fae72bd867afedf99bbbfea959f0 [1,0,0,0,0,0|2,0,1]=4 288 B9R0.1 CC[C@H](C)COCC(=O)O d94c701382e65cef3df369dbbe944763 [1,0,0,0,0,0|2,0,1]=4 289 B9R0.1 CC[C@H](C)NCCC(=O)O 9ce7a4b5931e874b441152425137209a [1,0,0,0,0,0|2,0,1]=4 290 B9R0.1 CC[C@H](C)OCCC(=O)O 8aec70cd34e530a63d290d1ba3130012 [1,0,0,0,0,0|2,0,1]=4 291 B9R0.1 CN(CF)CCCC(=O)O ca2d2af989107fbb2003dee075ad73ef [1,0,0,0,0,0|3,0,0]=4 292 B9R0.1 CN(CO)CCCC(=O)O 15d2d5e0a3745bcbc8af1be8c111eca1 [1,0,0,0,0,0|3,0,0]=4 293 B9R0.1 CNC(=O)CCNC(=O)C f3a3033dad8e1aab7fc770fc0743d310 [1,0,0,0,0,0|3,0,0]=4 294 B9R0.1 CNC(=O)CNCC(=O)C 9553722055197c716954dc86f447aeb4 [1,0,0,0,0,0|3,0,0]=4 295 B9R0.1 CNC(=O)CNCC(=O)N dc243ee2dcc2b9e9a11a36792c87d23d [1,0,0,0,0,0|3,0,0]=4 296 B9R0.1 CNC(=O)CNCC(=O)O 85a5f672fadbc6f9ef6de9a2a956af16 [1,0,0,0,0,0|2,0,0]=3 297 B9R0.1 CNC(=O)COCC(=O)C ff89b93418e37b61debdb32dce14d587 [1,0,0,0,0,0|3,0,0]=4 298 B9R0.1 CNC(=O)COCC(=O)N dc209203f036a43d165bfc4ce57d5629 [1,0,0,0,0,0|3,0,0]=4 299 B9R0.1 CNC(=O)COCC(=O)O 006fa27b5ff6a2a3b9b7bdadb3a8cf78 [1,0,0,0,0,0|2,0,0]=3 300 B9R0.1 CNC(=O)COCS(=O)O cfdcda0dcc3032ef712a643f4ba532be [1,0,0,0,0,0|3,0,0]=4 301 B9R0.1 COC(=O)CCNC(=O)C e469e5b7d171861926dc52d0d008b43a [1,0,0,0,0,0|3,0,0]=4 302 B9R0.1 COC(=O)CNCC(=O)C 2ffbe56641f2b1b2f85d79518ab23ece [1,0,0,0,0,0|3,0,0]=4 303 B9R0.1 COC(=O)CNCC(=O)N 9163aa512c5802909ed25b2031da4389 [1,0,0,0,0,0|3,0,0]=4 304 B9R0.1 COC(=O)CNCC(=O)O d413351b1bd64263dc30d4f78e9bad17 [1,0,0,0,0,0|2,0,0]=3 305 B9R0.1 COC(=O)COCC(=O)C c6badf6770087930f6d233ff5221dfc5 [1,0,0,0,0,0|3,0,0]=4 306 B9R0.1 COC(=O)COCC(=O)N 2e55244adc2571962e17fc15e71f3607 [1,0,0,0,0,0|3,0,0]=4 307 B9R0.1 COC(=O)COCC(=O)O ffa9d3a5a545c2957a369e509906e94d [1,0,0,0,0,0|2,0,0]=3 308 B9R0.1 COC(=O)COCS(=O)O 312ba3021bfe796259121a8421f51d8c [1,0,0,0,0,0|3,0,0]=4 309 B9R0.1 NC(=O)CCNC(=O)CF 5ba9803b3f58c21cd9f08d27be2ab1ba [1,0,0,0,0,0|3,0,0]=4 310 B9R0.1 NC(=O)CCNC(=O)CO 5172be9062702a142cc19e2483b96198 [1,0,0,0,0,0|3,0,0]=4 311 B9R0.1 NC(=O)CCNC(=O)CS 2fe1d732c0537625a14477e9fbdf6ffa [1,0,0,0,0,0|3,0,0]=4 312 B9R0.1 NC(=O)CNCC(=O)CO 4ff4e9de75d3f61e3304abcc2e0ca09a [1,0,0,0,0,0|3,0,0]=4 313 B9R0.1 O=C(CF)NCCS(=O)O f6ca8e03e2da3150852cfa5cc8f03146 [1,0,0,0,0,0|3,0,0]=4 314 B9R0.1 O=C(CO)NCCS(=O)O 76d39b86c6bcc56fa85783a1b981cfd5 [1,0,0,0,0,0|3,0,0]=4 315 B9R0.1 O=C(CS)NCCS(=O)O b835c310d0b5190a6c17d4d14c9b78d2 [1,0,0,0,0,0|3,0,0]=4 316 B9R0.1 O=C(O)CNCC(=O)CO 67ffc001715ccd674ca2190fd74d727d [1,0,0,0,0,0|2,0,0]=3 317 B9R0.1 O=C(O)CNCC(=O)NO f079cb1525909f20017391ae2500bf2e [1,0,0,0,0,0|3,0,0]=4 318 B9R0.2 C#CCNCCCC(=O)O f5a7649eb03cadc3fa013b1b8dd09d6d [1,0,0,0,0,0|1,0,2]=4 319 B9R0.2 C=C(C)CCCNCCC c3cac283cbd12fbf0ac91ae77d2206d5 [1,0,0,0,0,0|3,0,0]=4 320 B9R0.2 C=C(C)CCCOCCC 4f69b68cc6888e5abf6b0488c9a109cb [1,0,0,0,0,0|3,0,0]=4 321 B9R0.2 C=CCNCCCC(=O)O 524c2ab7faae5f35e54c1740aff30774 [1,0,0,0,0,0|1,0,2]=4 322 B9R0.2 CC(=O)CCCNCCBr 1e005c174e2bef64faf35d14b6a15eea [1,0,0,0,0,0|3,0,0]=4 323 B9R0.2 CC(=O)CCCNCCF 9a338bc1bad25f0148e24f3766691141 [1,0,0,0,0,0|3,0,0]=4 324 B9R0.2 CC(=O)CCCNCCI af38eb95e88d6a5b58dd1b2dbaca4ac4 [1,0,0,0,0,0|3,0,0]=4 325 B9R0.2 CC(=O)CCCNCCO 047c4ea1e2699a309316392bf693b2f3 [1,0,0,0,0,0|3,0,0]=4 326 B9R0.2 CC(=O)CCCNCCS e726854461e235aec0dd95b143ec9df5 [1,0,0,0,0,0|3,0,0]=4 327 B9R0.2 CC(=O)CCCOCCF 8be6dab59aed4b188d6918cf109dee02 [1,0,0,0,0,0|3,0,0]=4 328 B9R0.2 CC(=O)CCCOCCS 3982bfab81dc2189a86b86f7de9c7da1 [1,0,0,0,0,0|3,0,0]=4 329 B9R0.2 CC/C=C/CNCC(=O)C bb03016005aff92d60de25a5fb2dde7e [1,0,0,0,0,0|2,0,1]=4 330 B9R0.2 CC/C=C/CNCC(=O)N 48059c8d89eacab83d2ef80706455f01 [1,0,0,0,0,0|2,0,1]=4 331 B9R0.2 CC/C=C/CNCC(=O)O 608fca61d210069d4fe6cf3ba8d9b082 [1,0,0,0,0,0|1,0,1]=3 332 B9R0.2 CC/C=C/COCC(=O)C 5aaebc977bb6e5ae3b7dabe2f590edd8 [1,0,0,0,0,0|2,0,1]=4 333 B9R0.2 CC/C=C/COCC(=O)N 713c914f23ecec665a855260c3f6940a [1,0,0,0,0,0|2,0,1]=4 334 B9R0.2 CC/C=C/COCC(=O)O 47aadf9bd1a62be7751b0a2fca80ef8b [1,0,0,0,0,0|1,0,1]=3 335 B9R0.2 CC/C=C/COCS(=O)O b0cb372b04d2defa6fc2884893f1c842 [1,0,0,0,0,0|2,0,1]=4 336 B9R0.2 CC/C=C\COCC(=O)N 52f4757b5a31ccc4a1fcfe8b24404167 [1,0,0,0,0,0|2,0,1]=4 337 B9R0.2 CC/C=C\COCC(=O)O 21a75a85140d898476b2fb3f38c071e1 [1,0,0,0,0,0|1,0,1]=3 338 B9R0.2 CCC#CCOCC(=O)O abd394d0e091b202a9408b79384836eb [1,0,0,0,0,0|1,0,2]=4 339 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [1,0,0,0,0,0|2,0,1]=4 340 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [1,0,0,0,0,0|2,0,1]=4 341 B9R0.2 CCCCCNCC(=O)N df1b9e1446c7d44676f292e2874ccd31 [1,0,0,0,0,0|2,0,1]=4 342 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [1,0,0,0,0,0|1,0,1]=3 343 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [1,0,0,0,0,0|2,0,1]=4 344 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [1,0,0,0,0,0|2,0,1]=4 345 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [1,0,0,0,0,0|1,0,1]=3 346 B9R0.2 CCCCCOCS(=O)O b56ed3ff0a872daa7a558b28dc11bf7a [1,0,0,0,0,0|2,0,1]=4 347 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [1,0,0,0,0,0|2,0,1]=4 348 B9R0.2 CCCCNCCC(=O)N 2d98b6dd492f5bb47b303e933495165d [1,0,0,0,0,0|2,0,1]=4 349 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [1,0,0,0,0,0|1,0,1]=3 350 B9R0.2 CCCCNCCS(=O)O d1550f302fc03798fde8c440dd73fdb7 [1,0,0,0,0,0|2,0,1]=4 351 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [1,0,0,0,0,0|2,0,1]=4 352 B9R0.2 CCCCOCCC(=O)N 5eb5a710abf4db2a2dded5d930468391 [1,0,0,0,0,0|2,0,1]=4 353 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [1,0,0,0,0,0|1,0,1]=3 354 B9R0.2 CCCNC/C=C/C(=O)O 2dd1b47b43d39c78f5fbca7c7571ff45 [1,0,0,0,0,0|1,0,2]=4 355 B9R0.2 CCCNCC#CC(=O)O a4ffabb1fc463a4c83e7684cb826c3e8 [1,0,0,0,0,0|1,0,2]=4 356 B9R0.2 CCCNCC=CC(=O)O f6d198a3c4819b4eb753a38590475072 [1,0,0,0,0,0|1,0,2]=4 357 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [1,0,0,0,0,0|2,0,0]=3 358 B9R0.2 CCCNCCCC(=O)N ad3cbfcffc5634ad25d1d1d605d0c75d [1,0,0,0,0,0|2,0,0]=3 359 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [1,0,0,0,0,0|1,0,0]=2 360 B9R0.2 CCCNCCCC(C)O 6371182df2267961651c217c5a9d8ec2 [1,0,0,0,0,0|2,0,1]=4 361 B9R0.2 CCCNCCCS(=O)C bf3c6efa073e1467345d7cbddc3f20fe [1,0,0,0,0,0|3,0,0]=4 362 B9R0.2 CCCNCCC[N+](=O)[O-] c841f283b784f56925ce8adc6d0317ec [1,0,0,0,0,0|2,0,1]=4 363 B9R0.2 CCCNCCNC(=O)C 8ec9c538248c1278a7a78c753f9b558d [1,0,0,0,0,0|3,0,0]=4 364 B9R0.2 CCCNCCNC(=O)N eba9cf87c3d4b4412b3b52d629da0618 [1,0,0,0,0,0|3,0,0]=4 365 B9R0.2 CCCNCCOC(=O)C 1f7e1f87180a6b7613488d41ed0bd627 [1,0,0,0,0,0|3,0,0]=4 366 B9R0.2 CCCNCCSC(=O)C 9a734654dda6d6cb5b5c8675b98c7ffb [1,0,0,0,0,0|3,0,0]=4 367 B9R0.2 CCCOC/C=C/C(=O)O 687938439e6711299f4c9234a05e83ff [1,0,0,0,0,0|1,0,2]=4 368 B9R0.2 CCCOCC#CC(=O)O 973b316b9915a74f4553e52fb7cc188e [1,0,0,0,0,0|1,0,2]=4 369 B9R0.2 CCCOCC=CC(=O)O 08e8672bb8b818ca24be0e027803b17f [1,0,0,0,0,0|1,0,2]=4 370 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [1,0,0,0,0,0|2,0,0]=3 371 B9R0.2 CCCOCCCC(=O)N 070095bcac514fc69d894401c1bbf694 [1,0,0,0,0,0|2,0,0]=3 372 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [1,0,0,0,0,0|1,0,0]=2 373 B9R0.2 CCCOCCC[N+](=O)[O-] 04dd13287e8e1e4ca4b0686285155fd0 [1,0,0,0,0,0|2,0,1]=4 374 B9R0.2 CCCOCCNC(=O)C 2d108407d153229ed52501407a328bfe [1,0,0,0,0,0|3,0,0]=4 375 B9R0.2 CCCOCCNC(=O)N de0f07e5faa70e06a173f52c30b9f0f6 [1,0,0,0,0,0|3,0,0]=4 376 B9R0.2 CCCOCCOC(=O)C f41b865aa303cc7ca2bd22086d82154a [1,0,0,0,0,0|3,0,0]=4 377 B9R0.2 CCCOCCSC(=O)C e5fbc3852cf2e5bc0f0d48122e1eb071 [1,0,0,0,0,0|3,0,0]=4 378 B9R0.2 CCNCCCCC(=O)N e58565c8abd8e5ef4e9f04f253e40e9c [1,0,0,0,0,0|2,0,1]=4 379 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [1,0,0,0,0,0|1,0,1]=3 380 B9R0.2 CCNCCOCC(=O)O c0319d2f7183e13649b4e14cf4dc44f0 [1,0,0,0,0,0|2,0,1]=4 381 B9R0.2 CCNCCSCC(=O)O e5cfcab4344048d57fb6458a9d7ade29 [1,0,0,0,0,0|2,0,1]=4 382 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [1,0,0,0,0,0|2,0,1]=4 383 B9R0.2 CCOCCCCC(=O)N 6c8808518c393835c53b3e5d4f87702a [1,0,0,0,0,0|2,0,1]=4 384 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [1,0,0,0,0,0|1,0,1]=3 385 B9R0.2 CCOCCNCC(=O)O fe73b6ce227ade0e3d2aa05ce85c310f [1,0,0,0,0,0|2,0,1]=4 386 B9R0.2 CCOCCOCC(=O)O 8e941570ee8b640c0974e53e117ac279 [1,0,0,0,0,0|2,0,1]=4 387 B9R0.2 CCOCNCCC(=O)O bb666c5cb5cf95e40e356d52c764ed2e [1,0,0,0,0,0|2,0,1]=4 388 B9R0.2 CCOCOCCC(=O)O 799c8960883074d9b3c3c270cb41a5e2 [1,0,0,0,0,0|2,0,1]=4 389 B9R0.2 CCSCCNCC(=O)O d9a8c386d66ab795d4b3734359c61f59 [1,0,0,0,0,0|2,0,1]=4 390 B9R0.2 CCSCCOCC(=O)O 7dcca9bd15b343f0086a7f56a35270d1 [1,0,0,0,0,0|2,0,1]=4 391 B9R0.2 COCCCNCC(=O)O bb99ed747e50bacf9b72c7121db02d06 [1,0,0,0,0,0|2,0,1]=4 392 B9R0.2 COCCCOCC(=O)O ec52a61a98845b6bf28deaf0b8243269 [1,0,0,0,0,0|2,0,1]=4 393 B9R0.2 COCCNCCC(=O)O 30d6a6eb8d13e89f1e6baa6cbd54590b [1,0,0,0,0,0|2,0,1]=4 394 B9R0.2 COCCOCCC(=O)O 25825b2e7473038d51278d15c2f9a50b [1,0,0,0,0,0|2,0,1]=4 395 B9R0.2 COCNCCCC(=O)N 143230c9cc7fa1e72cc2f06c39df6405 [1,0,0,0,0,0|3,0,0]=4 396 B9R0.2 COCNCCCC(=O)O 64bd770f694cab9d693114f7ad1b17c7 [1,0,0,0,0,0|2,0,0]=3 397 B9R0.2 COCOCCCC(=O)C f43054086d226c36ed78969c345787dd [1,0,0,0,0,0|3,0,0]=4 398 B9R0.2 COCOCCCC(=O)N e23220792a5c66edc9d24bfa8410fe19 [1,0,0,0,0,0|3,0,0]=4 399 B9R0.2 CSCCCNCC(=O)O 1ee764be5870ee9d6a465670ba4c3b41 [1,0,0,0,0,0|2,0,1]=4 400 B9R0.2 CSCCCOCC(=O)O eaeded9547b84d8ef5e124eca9ee4fd2 [1,0,0,0,0,0|2,0,1]=4 401 B9R0.2 CSCCNCCC(=O)O 808165acc4fc0c35acf13aa79babe8b9 [1,0,0,0,0,0|2,0,1]=4 402 B9R0.2 CSCCOCCC(=O)O bd1672f73e380f6fe93fe8a89c7b9218 [1,0,0,0,0,0|2,0,1]=4 403 B9R0.2 CSCNCCCC(=O)N 9c78a0b9068d8a3cc8f8317328f3766a [1,0,0,0,0,0|3,0,0]=4 404 B9R0.2 CSCNCCCC(=O)O 7eae2fdc26b7518d89f6059c70e462f4 [1,0,0,0,0,0|2,0,0]=3 405 B9R0.2 CSCOCCCC(=O)C 37d7fc5efc38029b2c30ac3a6898185c [1,0,0,0,0,0|3,0,0]=4 406 B9R0.2 CSCOCCCC(=O)N bfccc78da96541a29149f439ea148b47 [1,0,0,0,0,0|3,0,0]=4 407 B9R0.2 N#CCNCCCC(=O)O d49027464fcde58fe65757855e67264b [1,0,0,0,0,0|2,0,1]=4 408 B9R0.2 NC(=O)CCCNCCBr 159e952c22dd14d98be643253e87144f [1,0,0,0,0,0|3,0,0]=4 409 B9R0.2 NC(=O)CCCNCCF 86bd028566db889d0e9f083596f5b81e [1,0,0,0,0,0|3,0,0]=4 410 B9R0.2 NC(=O)CCCNCCI c000d4b42ca6db0272d6873d5a06bf59 [1,0,0,0,0,0|3,0,0]=4 411 B9R0.2 NC(=O)CCCNCCO b82c97f586c37f6864f17e6a0759093e [1,0,0,0,0,0|3,0,0]=4 412 B9R0.2 NC(=O)CCCNCCS 33c260f6f564fe8a054bf0687069a0d8 [1,0,0,0,0,0|3,0,0]=4 413 B9R0.2 NC(=O)CCCOCCF bed05ecccde6fc2e5c6ab1fb3d493a56 [1,0,0,0,0,0|3,0,0]=4 414 B9R0.2 NC(=O)CCCOCCS 52144b28c666090309e74c56c2a6cead [1,0,0,0,0,0|3,0,0]=4 415 B9R0.2 O=C(O)CCCCNCF f1da66cc537567fc1409c1b8a001e59a [1,0,0,0,0,0|2,0,1]=4 416 B9R0.2 O=C(O)CCCCNCO a429407eaab02fb376aa947f0797c09f [1,0,0,0,0,0|2,0,1]=4 417 B9R0.2 O=C(O)CCCCOCF 272aa66e75d0e45407420628e364d2e7 [1,0,0,0,0,0|2,0,1]=4 418 B9R0.2 O=C(O)CCCNCCF 0ab78b72bdcdd94b4fcf99e3ac56449a [1,0,0,0,0,0|2,0,0]=3 419 B9R0.2 O=C(O)CCCNCCI 7033442a1b0a8ae6af132618bc1c6df8 [1,0,0,0,0,0|2,0,0]=3 420 B9R0.2 O=C(O)CCCNCCO aaad7be98a5cc430b61cd9b864cc9997 [1,0,0,0,0,0|2,0,0]=3 421 B9R0.2 O=C(O)CCCNCCS ec86078ea056d643545478c3e7a92429 [1,0,0,0,0,0|2,0,0]=3 422 B9R0.2 O=C(O)CCCOCCS d487913876e55d03c8afd0183250981c [1,0,0,0,0,0|2,0,0]=3 423 B9R0.2 O=C(O)CCNCCCCl 1f163366118bc570454513ac2f5e8fbb [1,0,0,0,0,0|2,0,1]=4 424 B9R0.2 O=C(O)CCNCCCF a17270c122f9805cda800592e5e91910 [1,0,0,0,0,0|2,0,1]=4 425 B9R0.2 O=C(O)CCNCCCO 11321b019c242b6c5e41fa5801169200 [1,0,0,0,0,0|2,0,1]=4 426 B9R0.2 O=C(O)CCNCCCS 9bd4ee04c37720e288052c22d2384dc9 [1,0,0,0,0,0|2,0,1]=4 427 B9R0.2 O=C(O)CCOCCCF 20d201b31423e454de60bb0a61187076 [1,0,0,0,0,0|2,0,1]=4 428 B9R0.2 O=C(O)CCOCCCS 63a015d01ea8847197749ff6208e8461 [1,0,0,0,0,0|2,0,1]=4 429 B9R0.2 O=C(O)CNCCCCCl 738ccc3cf8a76961c1007f23612565a7 [1,0,0,0,0,0|2,0,1]=4 430 B9R0.2 O=C(O)CNCCCCF 87df936d60601b25837503e691186b45 [1,0,0,0,0,0|2,0,1]=4 431 B9R0.2 O=C(O)CNCCCCO 8e5b81d8439207e41841bfd4f00422f6 [1,0,0,0,0,0|2,0,1]=4 432 B9R0.2 O=C(O)CNCCCCS 453564c18d03243292ce248980af0648 [1,0,0,0,0,0|2,0,1]=4 433 B9R0.2 O=C(O)COCCCCF 12acb17f17ee14046729a98f278631b2 [1,0,0,0,0,0|2,0,1]=4 434 B9R0.2 O=C(O)COCCCCS fb95717e8a0986d68c391e1936081030 [1,0,0,0,0,0|2,0,1]=4 435 B9R0.2 O=CCNCCCC(=O)O b0fd6156dd240d44b8433e7a48df34bb [1,0,0,0,0,0|2,0,1]=4 436 B9R0.5 C#CCCNC(=O)CCC 010ec079c645d74cd5f900edc483ff97 [1,0,0,0,0,0|2,0,1]=4 437 B9R0.5 C#CCNCC(=O)CCC 7c95775097695a11b7d7b3efd3645dc6 [1,0,0,0,0,0|2,0,1]=4 438 B9R0.5 C#CCOCC(=O)CCC 7694f2ae952970840898af50771d0440 [1,0,0,0,0,0|2,0,1]=4 439 B9R0.5 C=CCCCN(C)CCC 7d841d352abee3c82fe33663f6b18bb0 [1,0,0,0,0,0|3,0,0]=4 440 B9R0.5 C=CCCNC(=O)CCC cf53a2db9c6b8bf112b423fceb3e3e88 [1,0,0,0,0,0|2,0,0]=3 441 B9R0.5 C=CCCNC(=O)CCF c61f7e4d0d1a195bb4cb7a9b057b48af [1,0,0,0,0,0|3,0,0]=4 442 B9R0.5 C=CCCNC(=O)CCO 1bd10e2ccd10ee5b0c20ae371bff9e47 [1,0,0,0,0,0|3,0,0]=4 443 B9R0.5 C=CCCNC(=O)CCS 3115b2d72af2b2f4934d11a466e05c75 [1,0,0,0,0,0|3,0,0]=4 444 B9R0.5 C=CCCNC(=O)COC ac90e32a3493ecd6e7c22c8335f2b22a [1,0,0,0,0,0|3,0,0]=4 445 B9R0.5 C=CCCNC(=O)CSC f416cd7c3e587bfe31fe472298a2e708 [1,0,0,0,0,0|3,0,0]=4 446 B9R0.5 C=CCCOC(=S)CCC 2692822e92b8218c0255dd67b3275aa5 [1,0,0,0,0,0|2,1,0]=4 447 B9R0.5 C=CCNCC(=O)NCC 03bc30f2db00e8ff81a9bdce6586612d [1,0,0,0,0,0|3,0,0]=4 448 B9R0.5 C=CCNCC(=O)OCC 9c75fab8aca43806fda755027554c371 [1,0,0,0,0,0|3,0,0]=4 449 B9R0.5 C=CCOCC(=O)NCC 0c8b900e0707d7423d698d9813e6f594 [1,0,0,0,0,0|3,0,0]=4 450 B9R0.5 C=CCOCC(=O)OCC 9a263b5396d3bde89fbebf34ff6fb949 [1,0,0,0,0,0|3,0,0]=4 451 B9R0.5 CC=CCNC(=O)CCC a2189c9a5e101c26f476080a5e98ae2b [1,0,0,0,0,0|2,0,1]=4 452 B9R0.5 CCCC(=O)CNCC#N 4c48844f89f54e85c6e419aa1980f836 [1,0,0,0,0,0|2,0,1]=4 453 B9R0.5 CCCC(=O)CNCCBr 580d9097d971fedfdfa14df158dde72d [1,0,0,0,0,0|2,0,1]=4 454 B9R0.5 CCCC(=O)CNCCF 90b6a3d4e2b646692ac2f8be60f35cfc [1,0,0,0,0,0|2,0,1]=4 455 B9R0.5 CCCC(=O)CNCCI e6c431c6a36f932e7e7bd540be83f7d4 [1,0,0,0,0,0|2,0,1]=4 456 B9R0.5 CCCC(=O)CNCCO 19eaae24439cf65d8d2d752c6a63c8d7 [1,0,0,0,0,0|1,0,1]=3 457 B9R0.5 CCCC(=O)CNCCS 1dd21d52255aa998e3f67c462a833edf [1,0,0,0,0,0|1,1,1]=4 458 B9R0.5 CCCC(=O)COCC#N 35c92dcfc70a5aabec5ac519eee3f9a5 [1,0,0,0,0,0|2,0,1]=4 459 B9R0.5 CCCC(=O)COCCF 51c78131a5436c656772daa28f0121d0 [1,0,0,0,0,0|2,0,1]=4 460 B9R0.5 CCCC(=O)COCCS 77d185d452b3bc72588d0bc7dfa35de5 [1,0,0,0,0,0|1,1,1]=4 461 B9R0.5 CCCC(=O)COCOC 2e9034a32d4ad47f72112a5c4899eca9 [1,0,0,0,0,0|3,0,0]=4 462 B9R0.5 CCCC(=O)NCCC#N df36b052b03aa9feb90916eec413467f [1,0,0,0,0,0|2,0,1]=4 463 B9R0.5 CCCC(=O)NCCCCl f1d9e9d02a2632caa1296262930794c7 [1,0,0,0,0,0|2,0,1]=4 464 B9R0.5 CCCC(=O)NCCCO 592c3668cf1954e32eae53f9d9310fe4 [1,0,0,0,0,0|1,0,1]=3 465 B9R0.5 CCCC(=O)NCCOC d85beb1e2ae7c191540a491c38a5bdee [1,0,0,0,0,0|3,0,0]=4 466 B9R0.5 CCCC(=O)NCCON 2667b617ce33939f360a2d9f69c758c4 [1,0,0,0,0,0|3,0,0]=4 467 B9R0.5 CCCC(=O)NCCSC a7f90a8bca211f42c79fa85f13ca66c5 [1,0,0,0,0,0|3,0,0]=4 468 B9R0.5 CCCC(=S)OCCC=O 141f60b34558e8dbf5ffba7be4ff80f9 [1,0,0,0,0,0|1,1,0]=3 469 B9R0.5 CCCC(C)COCC=O b4ade1b0aa3eb14511461dd6fdcc445d [1,0,0,0,0,0|2,0,1]=4 470 B9R0.5 CCCC(C)NCCC=O 5b5f62290e2d559dfcdedcae1cf5a40f [1,0,0,0,0,0|2,0,1]=4 471 B9R0.5 CCCC(C)OCCC=O 075091b3402d4383d6ae76faf45828e2 [1,0,0,0,0,0|2,0,1]=4 472 B9R0.5 CCCC(O)CNCC=O 0ab60eacd08ef644a7eb6587b3e377fb [1,0,0,0,0,0|1,0,2]=4 473 B9R0.5 CCCCNC(=O)CCC 2cce597b848ae107def59bee54a0a0bb [1,0,0,0,0,0|2,0,1]=4 474 B9R0.5 CCCN(C)CCCC=O 733054530e6832de68ab4ede91eabb86 [1,0,0,0,0,0|2,0,0]=3 475 B9R0.5 CCCN(C)CCCCO 3d32b13ab18b3ef9a88401c3421fd62f [1,0,0,0,0,0|2,0,1]=4 476 B9R0.5 CCCNCC(=O)CCC 3eec0edc7aa18c3c159d3b72b32db52a [1,0,0,0,0,0|2,0,1]=4 477 B9R0.5 CCCOCC(=O)CCC 74c3c5e5bd02e359466cf1cc878b65e0 [1,0,0,0,0,0|2,0,1]=4 478 B9R0.5 CCC[C@@H](C)OCCC=O 3bd84e647c49cab84f4c3f78c7f376dd [1,0,0,0,0,0|2,0,1]=4 479 B9R0.5 CCC[C@H](C)NCCC=O 8965a7a737d28b5a320abc650f4b57db [1,0,0,0,0,0|2,0,1]=4 480 B9R0.5 CCC[C@H](C)OCCC=O 5603414e98a7234f79a82c4a13052426 [1,0,0,0,0,0|2,0,1]=4 481 B9R0.5 CCNC(=O)CNCC=O a4d1d48531baf213da9daa6529b2972c [1,0,0,0,0,0|2,0,0]=3 482 B9R0.5 CCNC(=O)CNCCO 442a95bc56d02077e9b0f659a35d10bf [1,0,0,0,0,0|2,0,1]=4 483 B9R0.5 CCNC(=O)COCC=O 8635cab7d50a45c98d81f169c5cc1c4c [1,0,0,0,0,0|2,0,0]=3 484 B9R0.5 CCOC(=O)CCNC=O f014a3a016d6b2ab3edecfa8ad9e1400 [1,0,0,0,0,0|2,0,0]=3 485 B9R0.5 CCOC(=O)CCNCO 0d43318aba0286304d28e6f5f875b75e [1,0,0,0,0,0|2,0,1]=4 486 B9R0.5 CCOC(=O)CNCC=O 13639f7e3d69faa2001497754bfed8b5 [1,0,0,0,0,0|2,0,0]=3 487 B9R0.5 CCOC(=O)CNCCO a3891831c63b1d5fc3c5a1b6e875e04a [1,0,0,0,0,0|2,0,1]=4 488 B9R0.5 CCOC(=O)COCC=O 934135784a2711e60bdbd22faf98fe13 [1,0,0,0,0,0|2,0,0]=3 489 B9R0.5 CN(CCF)CCCC=O 6bec50a8c71665434b5d54891df7aca2 [1,0,0,0,0,0|3,0,0]=4 490 B9R0.5 CN(CCO)CCCC=O 618e3514c562728808d02f6c835e3847 [1,0,0,0,0,0|3,0,0]=4 491 B9R0.5 COCC(=O)CNCCO 2826556ba2b391e97043cba9d2c76ebb [1,0,0,0,0,0|2,0,1]=4 492 B9R0.5 COCC(=O)NCCCO 8066d497a25e88f2387cdf27e9376a33 [1,0,0,0,0,0|2,0,1]=4 493 B9R0.5 CSCC(=O)NCCCO 5640a773b24a2079e88c1538d74a13f3 [1,0,0,0,0,0|2,0,1]=4 494 B9R0.5 N#CNC(=O)CCCC=O 935060cf723367b33a0429ed38f93dc9 [1,0,0,0,0,0|2,0,1]=4 495 B9R0.5 O=C(CCF)NCCCO 3c99316c0047228a6d04ddef64744a30 [1,0,0,0,0,0|2,0,1]=4 496 B9R0.5 O=C(CCO)NCCCO 2d4903d2493c9af6a68704182db4d55c [1,0,0,0,0,0|2,0,1]=4 497 B9R0.5 O=C(CCS)NCCCO d39ac9fd8653d19eae81484da48b1f73 [1,0,0,0,0,0|2,0,1]=4 498 B11R0.1 CCCC(=O)CN(C)CC(=O)N baea74ca9f2bb35817071758410b724f [0,1,0,0,0,0|2,0,0]=3 499 B11R0.1 CCCC(=O)CN(C)CC(=O)O 9dbd6f100f50ecc4f4775ef565ea8935 [0,1,0,0,0,0|1,0,0]=2 500 B11R0.1 CCCC(=O)CN(C)CC(C)O 000283b1dfd5f26c9bf1653281c42791 [0,1,0,0,0,0|2,0,1]=4 501 B11R0.1 CCCC(=O)CN(C)C[C@H](C)O eb9007c427ab78f13d5526f7fced70b5 [0,1,0,0,0,0|2,0,1]=4 502 B11R0.1 CCCC(=O)NC(C)CC(C)O da5c64ddf0ab9dd3656f1000386ae98f [0,1,0,0,0,0|2,0,1]=4 503 B11R0.1 CCCC(=S)OC(C)CC(=O)O 80c157f3122784f77dbc11a9192810cb [0,1,0,0,0,0|1,1,0]=3 504 B11R0.1 CCCC(C)CN(C)CC(=O)O 891339aa4551fe994be4f07976b9acb3 [0,1,0,0,0,0|2,0,1]=4 505 B11R0.1 CCCC(C)NC(C)CC(=O)O a43e4670cbc803fd448c085c94efc009 [0,1,0,0,0,0|2,0,1]=4 506 B11R0.1 CCCC(C)N[C@@H](C)CC(=O)O 4abb3a499e9a889b0df165740158e2e2 [0,1,0,0,0,0|2,0,1]=4 507 B11R0.1 CCCC(C)N[C@H](C)CC(=O)O 379d486ec9e93c4af5e968e07d7d3c10 [0,1,0,0,0,0|2,0,1]=4 508 B11R0.1 CCCN(C)CC(=O)CC(=O)O 25d570270d058e948c5637c430e56df6 [0,1,0,0,0,0|2,0,1]=4 509 B11R0.1 CCNC(=O)CN(C)CC(=O)N e6b170407aa7ea155648688bbf9ee855 [0,1,0,0,0,0|3,0,0]=4 510 B11R0.1 CCNC(=O)CN(C)CC(=O)O ae5c8d4936a8d09ef10c72d6846ff416 [0,1,0,0,0,0|2,0,0]=3 511 B11R0.1 CCOC(=O)CC(C)NC(=O)C b13fa5584493d9fbaa99bf263a6b762a [0,1,0,0,0,0|3,0,0]=4 512 B11R0.1 CCOC(=O)CN(C)CC(=O)N 28f484cced0b5c7c7ac8c4c03408a85f [0,1,0,0,0,0|3,0,0]=4 513 B11R0.1 CCOC(=O)CN(C)CC(=O)O 7037b52c7f350a48b21b14963efb5c43 [0,1,0,0,0,0|2,0,0]=3 514 B11R0.1 CN(CC(=O)O)CC(=O)NCO 68e7e8d69254985cf9e8ac0cbf074d97 [0,1,0,0,0,0|3,0,0]=4 515 B11R0.1 COCC(=O)CN(C)CC(=O)N 5fc0c4f51459858608bf947fb8dcde77 [0,1,0,0,0,0|3,0,0]=4 516 B11R0.1 COCC(=O)CN(C)CC(=O)O 818ca314bec88e82670a91cd44732071 [0,1,0,0,0,0|2,0,0]=3 517 B11R0.6 C=C(Br)CNCC(=O)CC(C)C 989a43208181b44bc5577a98c12522c2 [0,1,0,0,0,0|3,0,0]=4 518 B11R0.6 C=C(Br)COCC(=O)CC(C)C b5a240da0e2e28a4adaa716ac2d6ad84 [0,1,0,0,0,0|3,0,0]=4 519 B11R0.6 C=C(C)CC(=O)NCCC(=O)N c2a2290eec2c2300e6578514cb6a3ff2 [0,1,0,0,0,0|2,0,1]=4 520 B11R0.6 C=C(C)CC(=O)NCCS(=O)O 8d5c8e9dd8a4df6ec82d18714a3d6839 [0,1,0,0,0,0|2,0,1]=4 521 B11R0.6 C=C(C)CCNC(=O)CC(C)C 943f91b737273dfa6921f9fa6a7d8472 [0,1,0,0,0,0|3,0,0]=4 522 B11R0.6 C=C(C)CCNC(=O)CC(C)O ff94bd0f9d644576dad4bac036329ab3 [0,1,0,0,0,0|3,0,0]=4 523 B11R0.6 C=C(C)CCNC(=O)C[C@@H](C)O 6daeefde9723b37c2e773238b5db4def [0,1,0,0,0,0|3,0,0]=4 524 B11R0.6 C=C(C)CCNC(=O)C[C@H](C)O 96ff33c2a7d2404233ed4b85a64d6025 [0,1,0,0,0,0|3,0,0]=4 525 B11R0.6 C=C(C)CN(C)CCCC(=O)O 34a4bb2b49bc932ceb2ce1464cb0d1a1 [0,1,0,0,0,0|2,0,1]=4 526 B11R0.6 C=C(C)CNCC(=O)CC(C)C 193af56dc264f8ca7487f9f1c2bda92c [0,1,0,0,0,0|3,0,0]=4 527 B11R0.6 C=C(C)COCC(=O)CC(C)C 54e70468de3ef90deb02cc567a302f92 [0,1,0,0,0,0|3,0,0]=4 528 B11R0.6 C=C(Cl)COCC(=O)CC(C)C 635574b18c592c0657df88502275b87b [0,1,0,0,0,0|3,0,0]=4 529 B11R0.6 C=C(F)COCC(=O)CC(C)C 897733b5a662874fe3b1843467426efe [0,1,0,0,0,0|3,0,0]=4 530 B11R0.6 C=C(I)COCC(=O)CC(C)C 012b5338977519869fbeca9682609398 [0,1,0,0,0,0|3,0,0]=4 531 B11R0.6 CC(=O)CC(=O)NCCC(=O)N 972e0327c91a415ba79e90820f26aae9 [0,1,0,0,0,0|2,0,1]=4 532 B11R0.6 CC(=O)CC(=O)NCCS(=O)O 88bec78c984d3d6d1c19c6abed134fef [0,1,0,0,0,0|2,0,1]=4 533 B11R0.6 CC(=O)CCCN(C)CC(C)C 7ab901f54f5c931ee876070363146c09 [0,1,0,0,0,0|3,0,0]=4 534 B11R0.6 CC(=O)CCCN(C)CC(C)O 58c1c952ee5f90cba124769a11be30c7 [0,1,0,0,0,0|3,0,0]=4 535 B11R0.6 CC(=O)CCCN(C)C[C@H](C)O eb3acc6f2bd588571c780588b0db0747 [0,1,0,0,0,0|3,0,0]=4 536 B11R0.6 CC(=O)CNCC(=O)CC(C)C 26ef2c947268a830d53f76a69e8d6521 [0,1,0,0,0,0|2,0,0]=3 537 B11R0.6 CC(=O)CNCC(=O)NC(C)C 67e3ca8ef1c93c0a6ec4d485de5ccad8 [0,1,0,0,0,0|3,0,0]=4 538 B11R0.6 CC(=O)CNCC(=O)OC(C)C 81a141d74bb067afcb161e12cf9124ea [0,1,0,0,0,0|3,0,0]=4 539 B11R0.6 CC(=O)COCC(=O)CC(C)C ce431d3da23fc9587cf482f543c67369 [0,1,0,0,0,0|2,0,0]=3 540 B11R0.6 CC(=O)COCC(=O)NC(C)C af59b2ab6b767996a66c69bb058fd8d9 [0,1,0,0,0,0|3,0,0]=4 541 B11R0.6 CC(=O)COCC(=O)OC(C)C de57334ef6b55ccb0b226e74bf0b3781 [0,1,0,0,0,0|3,0,0]=4 542 B11R0.6 CC(C)CC(=O)CNCC(=O)N 62f38ceca75dfb045ad4a68f614acc6d [0,1,0,0,0,0|2,0,0]=3 543 B11R0.6 CC(C)CC(=O)CNCC(=O)O f1f62edfba9a2c03205409b4c1e38892 [0,1,0,0,0,0|1,0,0]=2 544 B11R0.6 CC(C)CC(=O)CNCC(C)O aa05582e1c3de0ecd280d004420d75c9 [0,1,0,0,0,0|2,0,1]=4 545 B11R0.6 CC(C)CC(=O)CNC[C@@H](C)O edb52a5c01f01d49121e36dc731020d1 [0,1,0,0,0,0|2,0,1]=4 546 B11R0.6 CC(C)CC(=O)CNC[C@H](C)O ed27fe83448d952a63a5b224078d3e0c [0,1,0,0,0,0|2,0,1]=4 547 B11R0.6 CC(C)CC(=O)COCC(=O)N 8d2bb837cdec6f7a49d4650eb26db0be [0,1,0,0,0,0|2,0,0]=3 548 B11R0.6 CC(C)CC(=O)COCC(=O)O 2907aefcc348eb101535d185b925667c [0,1,0,0,0,0|1,0,0]=2 549 B11R0.6 CC(C)CC(=O)COCC(=S)N 9779ab7568841a65a9dce4ad3d77e6b2 [0,1,0,0,0,0|2,1,0]=4 550 B11R0.6 CC(C)CC(=O)COCS(=O)O fe7c9d0026de2bb18ec587a76f5431f1 [0,1,0,0,0,0|2,0,0]=3 551 B11R0.6 CC(C)CC(=O)NCCC(=O)N 3549b0a7298d9029dd21f091f9857e4c [0,1,0,0,0,0|2,0,0]=3 552 B11R0.6 CC(C)CC(=O)NCCC(=S)N 8c6edec77daca68785a4ce21e5290353 [0,1,0,0,0,0|2,1,0]=4 553 B11R0.6 CC(C)CC(=O)NCCC(C)O 26be34f13946ea92a8c9f4f1eb0c7b39 [0,1,0,0,0,0|2,0,1]=4 554 B11R0.6 CC(C)CC(=O)NCCS(=O)C d483f3b1be8286968c68f4b755cadcbc [0,1,0,0,0,0|3,0,0]=4 555 B11R0.6 CC(C)CC(=O)NCCS(=O)O 5815cbaeb3f9dcb4e8654812df5baaef [0,1,0,0,0,0|2,0,0]=3 556 B11R0.6 CC(C)CC(=O)NCC[C@@H](C)O 3fda0e9dfb428e372c5ef6c1a3c4e9db [0,1,0,0,0,0|2,0,1]=4 557 B11R0.6 CC(C)CC(=O)NCC[C@H](C)O 9427d701f3614a3e60bcd69d44f1e3c5 [0,1,0,0,0,0|2,0,1]=4 558 B11R0.6 CC(C)CC(C)COCC(=O)O 0a09b4d608c81997d49f213631a89958 [0,1,0,0,0,0|2,0,1]=4 559 B11R0.6 CC(C)CC(C)NCCC(=O)O 4e5ccdc0f84035342145820171df90e9 [0,1,0,0,0,0|2,0,1]=4 560 B11R0.6 CC(C)CC(C)OCCC(=O)O 3a395c36c85cf0a48c614e61e22c13ac [0,1,0,0,0,0|2,0,1]=4 561 B11R0.6 CC(C)CC(O)CNCC(=O)O 06ad81149081c56b63c6fc7e8b66b422 [0,1,0,0,0,0|1,0,2]=4 562 B11R0.6 CC(C)CN(C)CCCC(=O)N 464a3f4ce3cbb0ffc512cdcbafd890f9 [0,1,0,0,0,0|3,0,0]=4 563 B11R0.6 CC(C)CN(C)CCCC(=O)O 6cea0d4a6f44cb75f67188df404823a4 [0,1,0,0,0,0|2,0,0]=3 564 B11R0.6 CC(C)C[C@@H](C)OCCC(=O)O da1a346fef35b51ff2063cfd073e28c3 [0,1,0,0,0,0|2,0,1]=4 565 B11R0.6 CC(C)C[C@H](C)OCCC(=O)O bef5de94d82013acbcf258cca548e315 [0,1,0,0,0,0|2,0,1]=4 566 B11R0.6 CC(C)NC(=O)CNCC(=O)N 0031a0371c195bb2e45a13617d316347 [0,1,0,0,0,0|3,0,0]=4 567 B11R0.6 CC(C)NC(=O)CNCC(=O)O 448cc1781a2ac9bf0d66bc37b410fef1 [0,1,0,0,0,0|2,0,0]=3 568 B11R0.6 CC(C)NC(=O)COCC(=O)N e75ee024fb7ba269166d83f8bab6a905 [0,1,0,0,0,0|3,0,0]=4 569 B11R0.6 CC(C)NC(=O)COCC(=O)O 56ee17eb2d3993e40794fec9ba29862b [0,1,0,0,0,0|2,0,0]=3 570 B11R0.6 CC(C)NC(=O)COCS(=O)O e89c27697ca5011d207773495a49ed0b [0,1,0,0,0,0|3,0,0]=4 571 B11R0.6 CC(C)OC(=O)CNCC(=O)N 465273a39c6a17cffc1c4c08693d88ae [0,1,0,0,0,0|3,0,0]=4 572 B11R0.6 CC(C)OC(=O)CNCC(=O)O abb19a011cb40dce667ccba8ebd33928 [0,1,0,0,0,0|2,0,0]=3 573 B11R0.6 CC(C)OC(=O)COCC(=O)N 8f63e8f7e197cef406d71016f64ea0bf [0,1,0,0,0,0|3,0,0]=4 574 B11R0.6 CC(C)OC(=O)COCC(=O)O ebbf1eb6ec2662d14fcb8b82749b31d4 [0,1,0,0,0,0|2,0,0]=3 575 B11R0.6 CC(C)OC(=O)COCS(=O)O 924d2cf9b13c201302a03892715b1ebb [0,1,0,0,0,0|3,0,0]=4 576 B11R0.6 CC(O)CC(=O)NCCC(=O)N e56e32c0f3accbbc12cebdc7bc23942f [0,1,0,0,0,0|2,0,0]=3 577 B11R0.6 CC(O)CC(=O)NCCC(=S)N f2cec967636d13ebd392c28aae9bd929 [0,1,0,0,0,0|2,1,0]=4 578 B11R0.6 CC(O)CC(=O)NCCS(=O)C 0ff1c94b788af60049d7e0e4c9fdc5e2 [0,1,0,0,0,0|3,0,0]=4 579 B11R0.6 CC(O)CC(=O)NCCS(=O)O e06dd0907b68560748cd41da1ced0e4d [0,1,0,0,0,0|2,0,0]=3 580 B11R0.6 CC(O)CC(=O)NCC[C@@H](C)O e138df825a9ce740ced64b99f34056d0 [0,1,0,0,0,0|2,0,1]=4 581 B11R0.6 CC(O)CC(=O)NCC[C@H](C)O ca7d3764b8473fb8890eaf063fc68e95 [0,1,0,0,0,0|2,0,1]=4 582 B11R0.6 CC(O)CC(C)NCCC(=O)O ec0115be52faee21986695652eb72f02 [0,1,0,0,0,0|2,0,1]=4 583 B11R0.6 CC(O)CCNC(=O)CC(C)O 0e5bee4d97dd286d0acec3dd9f06f7fc [0,1,0,0,0,0|2,0,1]=4 584 B11R0.6 CC(O)CCNC(=O)C[C@@H](C)O b875c8b4ff80e7782e3ff2081f58f2ce [0,1,0,0,0,0|2,0,1]=4 585 B11R0.6 CC(O)CCNC(=O)C[C@H](C)O 0883593d21bf9d73927c7be7b207ce3b [0,1,0,0,0,0|2,0,1]=4 586 B11R0.6 CC(O)CN(C)CCCC(=O)N 485d49fc1930274baddc7095f11a6188 [0,1,0,0,0,0|3,0,0]=4 587 B11R0.6 CC(O)CN(C)CCCC(=O)O c048f28324c51887d0bbf959b6e9c90e [0,1,0,0,0,0|2,0,0]=3 588 B11R0.6 CN(C)CC(=O)NCCC(=O)N 582f329eb68dd17fbbbf67e68ae80fa7 [0,1,0,0,0,0|3,0,0]=4 589 B11R0.6 CN(C)CC(=O)NCCS(=O)O d20b201475626526087658ad09a4c394 [0,1,0,0,0,0|3,0,0]=4 590 B11R0.6 CN(C)CN(C)CCCC(=O)O a4f485f5b88c6b228852042d78d0a0f3 [0,1,0,0,0,0|3,0,0]=4 591 B11R0.6 CN(CCCC(=O)O)CC(F)F 0d3271c6ca48ed024e55504a0574e4cd [0,1,0,0,0,0|3,0,0]=4 592 B11R0.6 C[C@@H](O)CC(=O)NCCC(=O)N 1f300b0103b03dfd9cdca7e6a92d4835 [0,1,0,0,0,0|2,0,0]=3 593 B11R0.6 C[C@@H](O)CC(=O)NCCC(=S)N 8eab1ea585b98f3f9e9484037cb20d58 [0,1,0,0,0,0|2,1,0]=4 594 B11R0.6 C[C@@H](O)CC(=O)NCCS(=O)C 3065e7ce49aef98028555612579d0ea8 [0,1,0,0,0,0|3,0,0]=4 595 B11R0.6 C[C@@H](O)CC(=O)NCCS(=O)O fe9ecc72f3727c07d12163969a9883dd [0,1,0,0,0,0|2,0,0]=3 596 B11R0.6 C[C@@H](O)CCNC(=O)C[C@@H](C)O d7a308abcf1d943cc99de838d21b0e49 [0,1,0,0,0,0|2,0,1]=4 597 B11R0.6 C[C@@H](O)CN(C)CCCC(=O)N 2685c525158e452c52aee51424d029d4 [0,1,0,0,0,0|3,0,0]=4 598 B11R0.6 C[C@@H](O)CN(C)CCCC(=O)O bd8686a6efe0853fb549e5a85731d221 [0,1,0,0,0,0|2,0,0]=3 599 B11R0.6 C[C@H](O)CC(=O)NCCC(=O)N 1d478b492c77983598678cb5e3c99793 [0,1,0,0,0,0|2,0,0]=3 600 B11R0.6 C[C@H](O)CC(=O)NCCC(=S)N 2a51e83afa0ec2d4384efa41d69a6896 [0,1,0,0,0,0|2,1,0]=4 601 B11R0.6 C[C@H](O)CC(=O)NCCS(=O)C 34583117b81d2af750da30df06c48051 [0,1,0,0,0,0|3,0,0]=4 602 B11R0.6 C[C@H](O)CC(=O)NCCS(=O)O 0e637e552a99b06d0e0efa0c7b607c88 [0,1,0,0,0,0|2,0,0]=3 603 B11R0.6 C[C@H](O)CC(=O)NCC[C@@H](C)O e3015a4adde934ed116ca2210892f76e [0,1,0,0,0,0|2,0,1]=4 604 B11R0.6 C[C@H](O)CCNC(=O)C[C@@H](C)O 2db8fd12c4d5e7632e4266b31c2e2b8b [0,1,0,0,0,0|2,0,1]=4 605 B11R0.6 C[C@H](O)CCNC(=O)C[C@H](C)O 4885875aaa065d77f016dd67ebda4422 [0,1,0,0,0,0|2,0,1]=4 606 B11R0.6 C[C@H](O)CN(C)CCCC(=O)N 37470a02bafded24017b84abc4bbbd7f [0,1,0,0,0,0|3,0,0]=4 607 B11R0.6 C[C@H](O)CN(C)CCCC(=O)O 0ab78485430f1f6a72ffc0b50075d6ff [0,1,0,0,0,0|2,0,0]=3 608 B11R0.6 NC(=O)CCNC(=O)CC(F)F 01085e18f4d970eff4adbf4f46ad3d91 [0,1,0,0,0,0|3,0,0]=4 609 B11R0.6 O=C(CC(F)F)NCCS(=O)O 77880ea09fb3119b4d8d7331a3ee2c57 [0,1,0,0,0,0|3,0,0]=4 610 B11R0.6 O=C(O)CNCC(=O)CC(=O)O fa77b4b4ae76a74a5367000ffc0e1184 [0,1,0,0,0,0|2,0,1]=4 611 B11R0.6 O=C(O)COCC(=O)CC(=O)O 851166ad595096e1407d1e8ba5988bde [0,1,0,0,0,0|2,0,1]=4 612 B11R0.45 C#CC(CCC)OCCC(=O)O fed4183e4bf48cce1398a587112d8a73 [0,1,0,0,0,0|2,0,1]=4 613 B11R0.45 C=CC(CCC)OCCC(=O)O cbc7914e7c053677f8bf1d6a312ce800 [0,1,0,0,0,0|2,0,1]=4 614 B11R0.45 CCCC(C#N)OCCC(=O)O 57c303764cb2dcf124eb7d0553a0f1fc [0,1,0,0,0,0|2,0,1]=4 615 B11R0.45 CCCC(CC)COCC(=O)O 0a07cc93323aabca29a119419f74de9e [0,1,0,0,0,0|2,0,1]=4 616 B11R0.45 CCCC(CC)NCCC(=O)O 87afa9b06596c8fb9822a2d89573fabd [0,1,0,0,0,0|2,0,1]=4 617 B11R0.45 CCCC(CC)OCCC(=O)O 64192e8805d7193b6561d34ea75edc29 [0,1,0,0,0,0|2,0,1]=4 618 B11R0.45 CCCC(CO)NCCC(=O)O fd38f011d9553c28f4f37012c64074eb [0,1,0,0,0,0|1,0,2]=4 619 B11R0.45 CCCN(CC)CCCC(=O)C dbfec841f1594b93f3ccbe44ae2ba4fd [0,1,0,0,0,0|3,0,0]=4 620 B11R0.45 CCCN(CC)CCCC(=O)N 54a5fe58e6ec8994298ec569491c72bf [0,1,0,0,0,0|3,0,0]=4 621 B11R0.45 CCC[C@@H](CC)OCCC(=O)O 2c02e1dc8e8920a3010881b7719d251f [0,1,0,0,0,0|2,0,1]=4 622 B11R0.45 CCC[C@@H](CO)NCCC(=O)O 573733e16c2867b53e66c176341f2b06 [0,1,0,0,0,0|1,0,2]=4 623 B11R0.45 CCC[C@H](CO)NCCC(=O)O f8741052230873142788a3314d4b7f88 [0,1,0,0,0,0|1,0,2]=4 624 B11R0.45 O=C(O)CCCN(CO)CCO 3528607560278a29f4cd90932dea6a26 [0,1,0,0,0,0|2,0,1]=4 625 B11R0.59 CC(CCC(=O)O)N(C)CCF 9733ea82173fb373630ff413cda47e09 [0,1,0,0,0,0|3,0,0]=4 626 B11R0.59 CCCC(=O)C(=O)NCC(=O)C 8641eba1d3c88e893ac60b914c75a1dc [0,1,0,0,0,0|2,0,1]=4 627 B11R0.59 CCCC(=O)C(=O)NCC(=O)N 96c67c3e740d93570b4ce4002833098b [0,1,0,0,0,0|2,0,1]=4 628 B11R0.59 CCCC(=O)N(C)CCC(=O)N 88082cfb4b6cb1f6024e484bda58b32a [0,1,0,0,0,0|2,0,0]=3 629 B11R0.59 CCCC(=O)N(C)CCC(C)O eb55f08247fa4c04fa71079c1953e8b7 [0,1,0,0,0,0|2,0,1]=4 630 B11R0.59 CCCC(C)N(C)CCC(=O)O 5324e1654cf05e56ffc354a3332fe52d [0,1,0,0,0,0|2,0,1]=4 631 B11R0.59 CCCN(C)C(C)CCC(=O)O 3ee99fa1e6a0ccd652ed9b877e654320 [0,1,0,0,0,0|2,0,0]=3 632 B11R0.59 CCNC(=O)C(C)NCC(=O)C 4febb7170c956b84e31220689a8e2966 [0,1,0,0,0,0|3,0,0]=4 633 B11R0.59 CCNC(=O)C(C)NCC(=O)N 1abfb4883395df515d09a3cff0f2ceaa [0,1,0,0,0,0|3,0,0]=4 634 B11R0.59 CCNC(=O)C(C)NCC(=O)O 3959f34665c1bf463dbeb93361f239a3 [0,1,0,0,0,0|2,0,0]=3 635 B11R0.59 CCNC(=O)C(C)OCC(=O)C 61ac8b992f87caa67e582061b89480ab [0,1,0,0,0,0|3,0,0]=4 636 B11R0.59 CCNC(=O)C(C)OCC(=O)N 26e1806e7d7a717827db4389a691c06e [0,1,0,0,0,0|3,0,0]=4 637 B11R0.59 CCNC(=O)C(C)OCC(=O)O c2b94440ad78b3f691e43070e7d34cd5 [0,1,0,0,0,0|2,0,0]=3 638 B11R0.59 CCNC(=O)C(C)OCS(=O)O ed1dd4bc21f8cc34a8386e2e43c9e673 [0,1,0,0,0,0|3,0,0]=4 639 B11R0.59 CCNC(=O)[C@H](C)NCC(=O)N ef9d6549d3a1a40897024d55051bec70 [0,1,0,0,0,0|3,0,0]=4 640 B11R0.59 CCNC(=O)[C@H](C)NCC(=O)O 76ecaba9e321a656711a54117e3de77c [0,1,0,0,0,0|2,0,0]=3 641 B11R0.59 CCOC(=O)C(C)CNC(=O)C e13e4e2ad2f8446742126ea7b770ed42 [0,1,0,0,0,0|3,0,0]=4 642 B11R0.59 CCOC(=O)C(C)NCC(=O)C b9173456fc3afaf4d95a6a5096fa4cd0 [0,1,0,0,0,0|3,0,0]=4 643 B11R0.59 CCOC(=O)C(C)NCC(=O)N 3b276f9e22be4248ded34dd931da89b2 [0,1,0,0,0,0|3,0,0]=4 644 B11R0.59 CCOC(=O)C(C)NCC(=O)O 7c5ded39a8515a4e9dcd804a51013d0f [0,1,0,0,0,0|2,0,0]=3 645 B11R0.59 CCOC(=O)C(C)OCC(=O)C 8412da2b2118c216da53e6ddbce1313d [0,1,0,0,0,0|3,0,0]=4 646 B11R0.59 CCOC(=O)C(C)OCC(=O)N 4c1c7221d26d2e0664423c00f79dc373 [0,1,0,0,0,0|3,0,0]=4 647 B11R0.59 CCOC(=O)C(C)OCC(=O)O 5b1c1c6928a8d67eddedc630d1c70e0d [0,1,0,0,0,0|2,0,0]=3 648 B11R0.59 CCOC(=O)C(C)OCS(=O)O 5a78993d48b977a556539426813b458c [0,1,0,0,0,0|3,0,0]=4 649 B11R0.59 CCOC(=O)C(F)NCC(=O)C 3fdff551c655ad86b9b04c5e3a906621 [0,1,0,0,0,0|3,0,0]=4 650 B11R0.59 CCOC(=O)C(F)NCC(=O)N 378f73b7f0f6dae51c4c6fa78fbd24d7 [0,1,0,0,0,0|3,0,0]=4 651 B11R0.59 CCOC(=O)C(F)NCC(=O)O 3ae1ea4f1ac326943bbb2a8d5c513642 [0,1,0,0,0,0|2,0,0]=3 652 B11R0.59 CCOC(=O)C(F)OCS(=O)O 14b3c30da886c77a55c4000e5fc29c1f [0,1,0,0,0,0|3,0,0]=4 653 B11R0.59 CCOC(=O)[C@@H](C)NCC(=O)C 4f87a3ddeaf2f433d39230a48c052fbf [0,1,0,0,0,0|3,0,0]=4 654 B11R0.59 CCOC(=O)[C@@H](C)NCC(=O)N 249adbe49c55321e67b1f0a49e3c2234 [0,1,0,0,0,0|3,0,0]=4 655 B11R0.59 CCOC(=O)[C@@H](C)NCC(=O)O fefb4e215d83cf058c1ca4d6c169d6ac [0,1,0,0,0,0|2,0,0]=3 656 B11R0.59 CCOC(=O)[C@@H](C)OCC(=O)C a09e14b7e2faebe403dd9514d500204f [0,1,0,0,0,0|3,0,0]=4 657 B11R0.59 CCOC(=O)[C@@H](C)OCC(=O)N 33f9f605e98987a1099c339b51d43078 [0,1,0,0,0,0|3,0,0]=4 658 B11R0.59 CCOC(=O)[C@@H](C)OCC(=O)O d23dfb796195d21c14112c35e945f07f [0,1,0,0,0,0|2,0,0]=3 659 B11R0.59 CCOC(=O)[C@@H](C)OCS(=O)O 0aa7f9f5f93663baacad13dc236156ae [0,1,0,0,0,0|3,0,0]=4 660 B11R0.59 CCOC(=O)[C@H](C)NCC(=O)C eada8752976f8e13be6e0e5f7476b86f [0,1,0,0,0,0|3,0,0]=4 661 B11R0.59 CCOC(=O)[C@H](C)NCC(=O)N 798400abc4f1a4ed272b83a8bf49ad75 [0,1,0,0,0,0|3,0,0]=4 662 B11R0.59 CCOC(=O)[C@H](C)NCC(=O)O e708aff37906731852e723a991a44227 [0,1,0,0,0,0|2,0,0]=3 663 B11R0.59 CCOC(=O)[C@H](C)OCC(=O)C 3525853d9eff8dfdcc7fffd06846ca07 [0,1,0,0,0,0|3,0,0]=4 664 B11R0.59 CCOC(=O)[C@H](C)OCC(=O)N 44c911af28e2221e9a68e2bb4c337f71 [0,1,0,0,0,0|3,0,0]=4 665 B11R0.59 CCOC(=O)[C@H](C)OCC(=O)O 02faf7ea46d96fc193b7d9eb454a4d41 [0,1,0,0,0,0|2,0,0]=3 666 B11R0.59 CCOC(=O)[C@H](C)OCS(=O)O e96f4b103c7a52722a95f9e520e1e9ed [0,1,0,0,0,0|3,0,0]=4 667 B11R0.59 CN(CCC(=O)N)C(=O)CCF 4da98cdc63ac7062c978c24e1e61da6e [0,1,0,0,0,0|3,0,0]=4 668 B11R0.59 CN(CCC(=O)N)C(=O)CCO 3c03df3a70b452ccafcaff853aa18acb [0,1,0,0,0,0|3,0,0]=4 669 B11R0.59 CN(CCC(=O)N)C(=O)CCS 22a07f883901e07a0fc0ca65f4cab24b [0,1,0,0,0,0|3,0,0]=4 670 B11R0.59 COCC(=O)N(C)CCC(=O)N 701e4d10a789192dfd51b869d7921969 [0,1,0,0,0,0|3,0,0]=4 671 B11R0.59 CSCC(=O)N(C)CCC(=O)N 4039374375f8f0ab70efc22a8ab112ed [0,1,0,0,0,0|3,0,0]=4 672 B11R0.104 CCCC(C)(O)CNCC(=O)O a39055491780673af87eddad5b53e175 [0,1,0,0,0,0|1,0,2]=4 673 B11R0.141 C=C(COC(=S)CCC)C(=O)O 604909dc2d7c4fc0e7a3fbcf48cc8a61 [0,1,0,0,0,0|1,1,1]=4 674 B11R0.141 CC(NCC(=O)NCO)C(=O)O c60295fed1dd68bc5baea34d3c323b32 [0,1,0,0,0,0|3,0,0]=4 675 B11R0.141 CCCC(=O)CNC(C)C(=O)N 19dff29bf3c290df216ad622f19ce19b [0,1,0,0,0,0|2,0,0]=3 676 B11R0.141 CCCC(=O)CNC(C)C(=O)O 056caf885e101858a1c978b171ebd2c8 [0,1,0,0,0,0|1,0,0]=2 677 B11R0.141 CCCC(=O)CNC(C)C(C)O 1597fa8d82e87edc8e25887c32a45a3a [0,1,0,0,0,0|2,0,1]=4 678 B11R0.141 CCCC(=O)CNC(O)C(=O)O 78c8cc351db638200059c47271f907ce [0,1,0,0,0,0|1,0,0]=2 679 B11R0.141 CCCC(=O)CN[C@@H](C)C(=O)N 4c06fc3c19c992f744df80d77f0243a0 [0,1,0,0,0,0|2,0,0]=3 680 B11R0.141 CCCC(=O)CN[C@@H](C)C(=O)O cfe29b60713412b230aac935ce5c198d [0,1,0,0,0,0|1,0,0]=2 681 B11R0.141 CCCC(=O)CN[C@H](C)C(=O)N f231e6e4ea25d5852622b9fc958200a0 [0,1,0,0,0,0|2,0,0]=3 682 B11R0.141 CCCC(=O)CN[C@H](C)C(=O)O 0dd671b5d33396c755c55914e47b9755 [0,1,0,0,0,0|1,0,0]=2 683 B11R0.141 CCCC(=O)COC(C)C(=O)C f142dcb214a4fb6afd6189507dae8a75 [0,1,0,0,0,0|2,0,0]=3 684 B11R0.141 CCCC(=O)COC(C)C(=O)N b60875cd96727c71e4521da293c25f38 [0,1,0,0,0,0|2,0,0]=3 685 B11R0.141 CCCC(=O)CO[C@@H](C)C(=O)N 5120279bddeb613979ed6c729b9dc86a [0,1,0,0,0,0|2,0,0]=3 686 B11R0.141 CCCC(=O)CO[C@H](C)C(=O)N 2b4e0430899b7af41217b522ad3592aa [0,1,0,0,0,0|2,0,0]=3 687 B11R0.141 CCCC(=S)OCC(=O)C(=O)O b375ceb29dee3797504f0123b258e2b5 [0,1,0,0,0,0|1,1,1]=4 688 B11R0.141 CCCC(=S)OCC(C)C(=O)O 0f6fa7d9d9029fd5d2fe9ee28361d4da [0,1,0,0,0,0|1,1,0]=3 689 B11R0.141 CCCC(C)CNC(C)C(=O)O 8ceeb2e5f1d64d4434a021aa91b0bc81 [0,1,0,0,0,0|2,0,1]=4 690 B11R0.141 CCCC(C)CNC(O)C(=O)O f9fc0efa897aba242dce2dde638dee64 [0,1,0,0,0,0|2,0,1]=4 691 B11R0.141 CCCC(C)CN[C@@H](C)C(=O)O e44714cc0165b67e27c4039a1150940d [0,1,0,0,0,0|2,0,1]=4 692 B11R0.141 CCCC(C)CN[C@H](C)C(=O)O 917b15250696d6987f78c899c49d74e7 [0,1,0,0,0,0|2,0,1]=4 693 B11R0.141 CCCC(C)COC(C)C(=O)O 7aeab42bcbfc587a5cc7882e0c461d2a [0,1,0,0,0,0|2,0,1]=4 694 B11R0.141 CCCC(C)CO[C@@H](C)C(=O)O 95e5ada472b01505a833140317ca55b9 [0,1,0,0,0,0|2,0,1]=4 695 B11R0.141 CCCC(C)CO[C@H](C)C(=O)O a68da97b1cacf672f4a62f0fa2f0f5f8 [0,1,0,0,0,0|2,0,1]=4 696 B11R0.141 CCCC(C)NCC(C)C(=O)O f077bedfa344fb4108aa31d94a1f4078 [0,1,0,0,0,0|2,0,1]=4 697 B11R0.141 CCCC(C)NCC(O)C(=O)O c088723bb60614a5d48eee7f4d45b889 [0,1,0,0,0,0|2,0,1]=4 698 B11R0.141 CCCC(C)NC[C@@H](C)C(=O)O 95a565da7a5865154e31a3bc7a579f50 [0,1,0,0,0,0|2,0,1]=4 699 B11R0.141 CCCC(C)NC[C@@H](O)C(=O)O d6f12b0b2d53522d9bc2382976245e27 [0,1,0,0,0,0|2,0,1]=4 700 B11R0.141 CCCC(C)NC[C@H](C)C(=O)O 2908199db340f0070943768181562b34 [0,1,0,0,0,0|2,0,1]=4 701 B11R0.141 CCCC(C)NC[C@H](O)C(=O)O 0ef46fce5a6ff3018e398946a4682cff [0,1,0,0,0,0|2,0,1]=4 702 B11R0.141 CCCC(C)OCC(C)C(=O)O 0fdabd1bfddf8cc368c1e8b0faa03041 [0,1,0,0,0,0|2,0,1]=4 703 B11R0.141 CCCC(C)OC[C@@H](C)C(=O)O 05c6ab3736de5a59571ff2a185daf71c [0,1,0,0,0,0|2,0,1]=4 704 B11R0.141 CCCC(C)OC[C@H](C)C(=O)O 03bd9b4e6ddd974d3473b2fc10911024 [0,1,0,0,0,0|2,0,1]=4 705 B11R0.141 CCCC(O)CNC(C)C(=O)O b097afc8f4609160fe13c100e65a4c9f [0,1,0,0,0,0|1,0,2]=4 706 B11R0.141 CCCC(O)CNC(F)C(=O)O a0914cdefd4e8aec719c89f83425f20c [0,1,0,0,0,0|1,0,2]=4 707 B11R0.141 CCCC(O)CN[C@@H](C)C(=O)O b8bbb008d6b0ff08077949fe405d19ba [0,1,0,0,0,0|1,0,2]=4 708 B11R0.141 CCCC(O)CN[C@@H](F)C(=O)O 1dd937db6f850422e97b5daef2471b2f [0,1,0,0,0,0|1,0,2]=4 709 B11R0.141 CCCC(O)CN[C@H](C)C(=O)O 55b84b4d4cabc87d69c61a7446577740 [0,1,0,0,0,0|1,0,2]=4 710 B11R0.141 CCC[C@@H](C)OCC(C)C(=O)O 9d9f714bef0630f5550fb4405580a3d4 [0,1,0,0,0,0|2,0,1]=4 711 B11R0.141 CCC[C@H](C)NCC(C)C(=O)O 972f2341163158ffe1358b0b5bc57fa3 [0,1,0,0,0,0|2,0,1]=4 712 B11R0.141 CCC[C@H](C)NCC(O)C(=O)O 8f768a2e8688890c2fd936fdc40dba59 [0,1,0,0,0,0|2,0,1]=4 713 B11R0.141 CCC[C@H](C)NC[C@H](O)C(=O)O 4b839268ab0eedb03c22ec314dfa2cc4 [0,1,0,0,0,0|2,0,1]=4 714 B11R0.141 CCC[C@H](C)OCC(C)C(=O)O e75d4311e57f40aecdd135f7d10ca591 [0,1,0,0,0,0|2,0,1]=4 715 B11R0.141 CCNC(=O)CNC(C)C(=O)C 9e5acdfdd1a5375e497b7aeeb45a0117 [0,1,0,0,0,0|3,0,0]=4 716 B11R0.141 CCNC(=O)CNC(C)C(=O)N fc3a66b5952441e6337c142dfdcb038c [0,1,0,0,0,0|3,0,0]=4 717 B11R0.141 CCNC(=O)CNC(C)C(=O)O 2f1fb89b9399dcca82247cf98193d837 [0,1,0,0,0,0|2,0,0]=3 718 B11R0.141 CCNC(=O)CNC(F)C(=O)N dcc2762ebe4e501c6bd1c9870e3d2fcf [0,1,0,0,0,0|3,0,0]=4 719 B11R0.141 CCNC(=O)CNC(F)C(=O)O 3f32e04857bf99494f97296030d0b566 [0,1,0,0,0,0|2,0,0]=3 720 B11R0.141 CCNC(=O)CNC(O)C(=O)O 61262df80f3bf56daae79c2d9ccd84ab [0,1,0,0,0,0|2,0,0]=3 721 B11R0.141 CCNC(=O)CN[C@@H](C)C(=O)N bea3b6f71222390239f4f3d2e38a6458 [0,1,0,0,0,0|3,0,0]=4 722 B11R0.141 CCNC(=O)CN[C@@H](C)C(=O)O e531082e68094e8d3b220e4da90b4273 [0,1,0,0,0,0|2,0,0]=3 723 B11R0.141 CCNC(=O)CN[C@@H](F)C(=O)O a1bd38dcb385f9fbc50f6c5485b6daec [0,1,0,0,0,0|2,0,0]=3 724 B11R0.141 CCNC(=O)CN[C@H](C)C(=O)N 77ddfb7a35c0fa4789f97cd2d37f116d [0,1,0,0,0,0|3,0,0]=4 725 B11R0.141 CCNC(=O)CN[C@H](C)C(=O)O 5c3c582614150eb0439ac51ce85bb266 [0,1,0,0,0,0|2,0,0]=3 726 B11R0.141 CCNC(=O)COC(C)C(=O)C 963e9e9f1475bf575e199dbca91d2bc3 [0,1,0,0,0,0|3,0,0]=4 727 B11R0.141 CCNC(=O)COC(C)C(=O)N 243d0e06088fda2687a15eca71e1a9fd [0,1,0,0,0,0|3,0,0]=4 728 B11R0.141 CCNC(=O)COC(C)C(=O)O 13409676b4b2ead5ec532b36989c0ad4 [0,1,0,0,0,0|2,0,0]=3 729 B11R0.141 CCNC(=O)CO[C@@H](C)C(=O)N 38af145576c12027135734d16cf87a48 [0,1,0,0,0,0|3,0,0]=4 730 B11R0.141 CCNC(=O)CO[C@@H](C)C(=O)O 4232abf6a1ac0211277363d7f5cc42b6 [0,1,0,0,0,0|2,0,0]=3 731 B11R0.141 CCNC(=O)CO[C@H](C)C(=O)N 0082ce84b8e07fc01a1b4f0bf5cf9237 [0,1,0,0,0,0|3,0,0]=4 732 B11R0.141 CCNC(=O)CO[C@H](C)C(=O)O 812ec8c8910602227640b2f2c8f83976 [0,1,0,0,0,0|2,0,0]=3 733 B11R0.141 CCOC(=O)CCN(C)C(=O)C 4a7b17fab80e0d0db151ab7b2ee8602a [0,1,0,0,0,0|3,0,0]=4 734 B11R0.141 CCOC(=O)CNC(C)C(=O)C b2a45ded9fd8f848ac70d60b210b6a44 [0,1,0,0,0,0|3,0,0]=4 735 B11R0.141 CCOC(=O)CNC(C)C(=O)N b84953145cddef3dec749c15fcf64768 [0,1,0,0,0,0|3,0,0]=4 736 B11R0.141 CCOC(=O)CNC(C)C(=O)O 06f816de5d8580a8ec2e038d3ab41cb6 [0,1,0,0,0,0|2,0,0]=3 737 B11R0.141 CCOC(=O)CNC(F)C(=O)N 3587bc24efb9eacec904380a381ee9ea [0,1,0,0,0,0|3,0,0]=4 738 B11R0.141 CCOC(=O)CNC(O)C(=O)O 3a94ae7339133825649d1fd7b80b71fe [0,1,0,0,0,0|2,0,0]=3 739 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)N 1130c60b1b32380dae732f743542a258 [0,1,0,0,0,0|3,0,0]=4 740 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)O 465bab5799de55001d890b7606f350a9 [0,1,0,0,0,0|2,0,0]=3 741 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 04fcf6a0ebafe26a7403647e485ee3e3 [0,1,0,0,0,0|3,0,0]=4 742 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)O 4079548ec8853c2a961748dc8b992122 [0,1,0,0,0,0|2,0,0]=3 743 B11R0.141 CCOC(=O)COC(C)C(=O)C 52a4a6554748c8bb4537a1b9e6b2d41e [0,1,0,0,0,0|3,0,0]=4 744 B11R0.141 CCOC(=O)COC(C)C(=O)N 094cfd15a32565d419afea71d1717b32 [0,1,0,0,0,0|3,0,0]=4 745 B11R0.141 CCOC(=O)COC(C)C(=O)O c7eff6fb447f1041f9dd570ba126e1bf [0,1,0,0,0,0|2,0,0]=3 746 B11R0.141 CCOC(=O)CO[C@@H](C)C(=O)N 9ea71cf68ee86aec807fa034f001c115 [0,1,0,0,0,0|3,0,0]=4 747 B11R0.141 CCOC(=O)CO[C@@H](C)C(=O)O 634437bc5812d5962c7c85b0d4e1f412 [0,1,0,0,0,0|2,0,0]=3 748 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N cdb750292b0473a3382b018c18d61784 [0,1,0,0,0,0|3,0,0]=4 749 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)O 6c824b4195262698cd1abbcfdde7a63e [0,1,0,0,0,0|2,0,0]=3 750 B11R0.141 C[C@@H](NCC(=O)NCO)C(=O)O 712396e6bfbef8967cf87454f3a38998 [0,1,0,0,0,0|3,0,0]=4 751 B11R0.141 C[C@H](NCC(=O)NCO)C(=O)O e2c105a793c08782ed0b55dfe0a44d50 [0,1,0,0,0,0|3,0,0]=4 752 B11R0.141 O=C(CNC(O)C(=O)O)NCO 3dcf1abe251430df5778a8e7275f7019 [0,1,0,0,0,0|3,0,0]=4 753 B11R0.145 C=C(Br)CNCC(=O)C(C)CC 3b041976312c881be596ff9aacac46dc [0,1,0,0,0,0|3,0,0]=4 754 B11R0.145 C=C(Br)COCC(=O)C(C)CC 58a95c949fe1485c0991ad5f86ebac18 [0,1,0,0,0,0|3,0,0]=4 755 B11R0.145 C=C(C)CCCC(=O)N(C)CC 39853622d8777bbc22d6551fed4c9f38 [0,1,0,0,0,0|3,0,0]=4 756 B11R0.145 C=C(C)CCNC(=O)C(O)CC c146b242abfa21ccf0b91906ca6d7472 [0,1,0,0,0,0|3,0,0]=4 757 B11R0.145 C=C(C)CCNC(=O)[C@@H](O)CC 589c1bcf2f5ec8876f808d16c4428009 [0,1,0,0,0,0|3,0,0]=4 758 B11R0.145 C=C(C)CCNC(=O)[C@@H](S)CC 738aaa01a7e5a9705a49770661fa38c6 [0,1,0,0,0,0|3,0,0]=4 759 B11R0.145 C=C(C)CCNC(=O)[C@H](O)CC d5c31225e3e85afaa6cdf651cd5cbbb0 [0,1,0,0,0,0|3,0,0]=4 760 B11R0.145 C=C(C)CNCC(=O)C(C)CC e80d2e70e129636dea4b9d12f90bf0c1 [0,1,0,0,0,0|3,0,0]=4 761 B11R0.145 C=C(C)COCC(=O)C(C)CC 731138029a7ca333c88f8c00a29992bc [0,1,0,0,0,0|3,0,0]=4 762 B11R0.145 C=C(CC)C(=O)NCCC(=O)N 691297e049c5df69021c819783876b50 [0,1,0,0,0,0|2,0,1]=4 763 B11R0.145 C=C(CC)C(=O)NCCS(=O)O 59961b29ce03c0cad08aaf657a88cb18 [0,1,0,0,0,0|2,0,1]=4 764 B11R0.145 C=C(Cl)COCC(=O)C(C)CC d08f5ca5463c6459e56ed68d8f49e949 [0,1,0,0,0,0|3,0,0]=4 765 B11R0.145 C=C(F)COCC(=O)C(C)CC fe0187048b70aeb2d4c23c3b536a684c [0,1,0,0,0,0|3,0,0]=4 766 B11R0.145 C=C(I)COCC(=O)C(C)CC 19283ba9b3e01b8d1166042ea22248d3 [0,1,0,0,0,0|3,0,0]=4 767 B11R0.145 CC(CO)N(C)CCCC(=O)O b0d3043c05336e015977f5216a237296 [0,1,0,0,0,0|3,0,0]=4 768 B11R0.145 CCC(=O)C(=O)NCCC(=O)N 7dba1ebd06ec3223f7e40006f21ab230 [0,1,0,0,0,0|2,0,1]=4 769 B11R0.145 CCC(=O)C(=O)NCCS(=O)O b8693202b3f2bf3f31505023d302715d [0,1,0,0,0,0|2,0,1]=4 770 B11R0.145 CCC(C)C(=O)CNCC(=O)C 1f1ac43bc44b34d8399b2e92f3ca0bd7 [0,1,0,0,0,0|2,0,0]=3 771 B11R0.145 CCC(C)C(=O)CNCC(=O)N 052eea09d875d039e7298ac7e9535332 [0,1,0,0,0,0|2,0,0]=3 772 B11R0.145 CCC(C)C(=O)CNCC(=O)O 1bae06283cce4acdefa30be2265978a9 [0,1,0,0,0,0|1,0,0]=2 773 B11R0.145 CCC(C)C(=O)CNCC(C)O 0799453b91a7c0bfa83a180af727ba7b [0,1,0,0,0,0|2,0,1]=4 774 B11R0.145 CCC(C)C(=O)CNC[C@@H](C)O 40f58f1cd63f4637ca17f478e0597b4e [0,1,0,0,0,0|2,0,1]=4 775 B11R0.145 CCC(C)C(=O)CNC[C@H](C)O 9984c9fba66fe790dd13ad203d4c5145 [0,1,0,0,0,0|2,0,1]=4 776 B11R0.145 CCC(C)C(=O)COCC(=O)C 89584ffd7e119e897d37ba22f02be352 [0,1,0,0,0,0|2,0,0]=3 777 B11R0.145 CCC(C)C(=O)COCC(=O)N d1a0f812ba72074d765595885fd8106c [0,1,0,0,0,0|2,0,0]=3 778 B11R0.145 CCC(C)C(=O)COCC(=O)O f2d21e1396ee2a0b2da59abf857bddba [0,1,0,0,0,0|1,0,0]=2 779 B11R0.145 CCC(C)C(=O)COCC(=S)N 6bf321fb25422b4a43496da2b3fd6b18 [0,1,0,0,0,0|2,1,0]=4 780 B11R0.145 CCC(C)C(=O)COCS(=O)O d931a7683bb5e210c1398bcbefa518c3 [0,1,0,0,0,0|2,0,0]=3 781 B11R0.145 CCC(C)C(C)NCCC(=O)O 8187ee3787b839cf7529de66dfc606dd [0,1,0,0,0,0|2,0,1]=4 782 B11R0.145 CCC(C)C(C)OCCC(=O)O a112f166d566b551acac86da3e535fb0 [0,1,0,0,0,0|2,0,1]=4 783 B11R0.145 CCC(C)N(C)CCCC(=O)C 0b9034f9bf9692d81f0f741f6a8bdd01 [0,1,0,0,0,0|3,0,0]=4 784 B11R0.145 CCC(C)N(C)CCCC(=O)N b05262fbfd0c429c08fb1689f884d3b6 [0,1,0,0,0,0|3,0,0]=4 785 B11R0.145 CCC(C)N(C)CCCC(=O)O 427380640cf2c54ee7f3655b00e85d64 [0,1,0,0,0,0|2,0,0]=3 786 B11R0.145 CCC(O)C(=O)NCCC(=O)N 2293c94b983e124fdfe61ba00b007034 [0,1,0,0,0,0|2,0,0]=3 787 B11R0.145 CCC(O)C(=O)NCCC(=S)N a3f337d70be8f4ed884b2aa875fd80dd [0,1,0,0,0,0|2,1,0]=4 788 B11R0.145 CCC(O)C(=O)NCCC(C)O 75d6042334f437a4015378d410b34599 [0,1,0,0,0,0|2,0,1]=4 789 B11R0.145 CCC(O)C(=O)NCCS(=O)C 59e1692b16bb76d881c40a86e5eddfe3 [0,1,0,0,0,0|3,0,0]=4 790 B11R0.145 CCC(O)C(=O)NCCS(=O)O c1c8640d8f811911913c18d46928695a [0,1,0,0,0,0|2,0,0]=3 791 B11R0.145 CCC(O)C(=O)NCC[C@@H](C)O e30b6efc1dc714d4f726b7c100e3fd7a [0,1,0,0,0,0|2,0,1]=4 792 B11R0.145 CCC(O)C(=O)NCC[C@H](C)O ad9000194f1f578e3c3f0ecd316f50f1 [0,1,0,0,0,0|2,0,1]=4 793 B11R0.145 CCC(S)C(C)COCC(=O)O 62072fca2b5f77c50139da2dd9128a4b [0,1,0,0,0,0|2,0,1]=4 794 B11R0.145 CCN(C)C(=O)CCCC(=O)C 3c9ce57a3138d8f307e2441319e08dbf [0,1,0,0,0,0|2,0,0]=3 795 B11R0.145 CCN(C)C(=O)CCCC(=O)N 86e3aea49a3a6816724e787020d0d1bf [0,1,0,0,0,0|2,0,0]=3 796 B11R0.145 CCN(C)C(=O)CCC[N+](=O)[O-] 17d62da07b3170611f4657bb9cf50e18 [0,1,0,0,0,0|2,0,1]=4 797 B11R0.145 CCN(C)C(=O)CCNC(=O)C 1fe66a6f9c52cdc50c8dad6ec27971d3 [0,1,0,0,0,0|3,0,0]=4 798 B11R0.145 CCN(C)C(=O)CCNC(=O)N 71f2cfa7cd5537b04b6d847608dfbcd6 [0,1,0,0,0,0|3,0,0]=4 799 B11R0.145 CCN(C)C(=O)CCOC(=O)C b966c8fb3922c13959d5719cd134924d [0,1,0,0,0,0|3,0,0]=4 800 B11R0.145 CCN(C)C(=O)CCSC(=O)C d63d163449c95b5df75080714f7885bb [0,1,0,0,0,0|3,0,0]=4 801 B11R0.145 CCN(C)C(=O)CNCC(=O)C 1434d5f2c5334380cab044cec0005761 [0,1,0,0,0,0|3,0,0]=4 802 B11R0.145 CCN(C)C(=O)CNCC(=O)N 01731c97db90a43566f636444b2e1781 [0,1,0,0,0,0|3,0,0]=4 803 B11R0.145 CCN(C)C(=O)CNCC(=O)O 7bd75c6325166b9ecc35ea783129758e [0,1,0,0,0,0|2,0,0]=3 804 B11R0.145 CCN(C)C(=O)COCC(=O)C 822247e0b9a5cb7fd2628cff4f7fe949 [0,1,0,0,0,0|3,0,0]=4 805 B11R0.145 CCN(C)C(=O)COCC(=O)N 29c8177520b10f4aa6732be13345e6b3 [0,1,0,0,0,0|3,0,0]=4 806 B11R0.145 CCN(C)C(=O)COCS(=O)O aa12a42047a9c6c1166f1f8e8232b099 [0,1,0,0,0,0|3,0,0]=4 807 B11R0.145 CCN(C)C(=O)CSCC(=O)N 9bdc9212cb7340d9adcbf9ac1faf0dfd [0,1,0,0,0,0|3,0,0]=4 808 B11R0.145 CCN(C)C(=O)NCCC(=O)N 7e89bcc8d5d6753edf20ee577292afa8 [0,1,0,0,0,0|3,0,0]=4 809 B11R0.145 CCN(C)C(=O)NCCC(=O)O 5182c45dc839308eb0632e8c71abda52 [0,1,0,0,0,0|2,0,0]=3 810 B11R0.145 CCN(C)C(=O)NCCS(=O)O 00c33123e4e0caa99776f1988423aee6 [0,1,0,0,0,0|3,0,0]=4 811 B11R0.145 CCN(C)C(=S)NCCC(=O)O 89b846b8182b6614f7476827f8e56f66 [0,1,0,0,0,0|2,1,0]=4 812 B11R0.145 CC[C@@H](O)C(=O)NCCC(=O)N 19bbc52a87b36e2124ef021df1130141 [0,1,0,0,0,0|2,0,0]=3 813 B11R0.145 CC[C@@H](O)C(=O)NCCC(=S)N c392b230cb3e1e27cdf4bb10c7611ef7 [0,1,0,0,0,0|2,1,0]=4 814 B11R0.145 CC[C@@H](O)C(=O)NCCC(C)O 94e07e4086d53b057676f31b14a002aa [0,1,0,0,0,0|2,0,1]=4 815 B11R0.145 CC[C@@H](O)C(=O)NCCS(=O)C 62c4d432feef7efde7988b4128f804ea [0,1,0,0,0,0|3,0,0]=4 816 B11R0.145 CC[C@@H](O)C(=O)NCCS(=O)O 327c5552ded9b39f65332a42cbf3c4da [0,1,0,0,0,0|2,0,0]=3 817 B11R0.145 CC[C@@H](O)C(=O)NCC[C@@H](C)O b7c85f8a1b4677e9bda15b34ea886a28 [0,1,0,0,0,0|2,0,1]=4 818 B11R0.145 CC[C@@H](O)C(=O)NCC[C@H](C)O 2a7c79533747a42c99c60b44f83d7601 [0,1,0,0,0,0|2,0,1]=4 819 B11R0.145 CC[C@H](O)C(=O)NCCC(=O)N e5f5f0578a3f8872f3c08848ae3b6760 [0,1,0,0,0,0|2,0,0]=3 820 B11R0.145 CC[C@H](O)C(=O)NCCC(=S)N 00aaac38a31b5466584fc9c0d6f7f43e [0,1,0,0,0,0|2,1,0]=4 821 B11R0.145 CC[C@H](O)C(=O)NCCC(C)O abb5c3468f8a6786d990e2508ed120f5 [0,1,0,0,0,0|2,0,1]=4 822 B11R0.145 CC[C@H](O)C(=O)NCCS(=O)C aceb16120df5c52ab3f98faaa7a0c275 [0,1,0,0,0,0|3,0,0]=4 823 B11R0.145 CC[C@H](O)C(=O)NCCS(=O)O 81c17f896d97ce82d05b3ad90e2ce839 [0,1,0,0,0,0|2,0,0]=3 824 B11R0.145 CC[C@H](O)C(=O)NCC[C@@H](C)O 5a0aeb69a9ffdb156dc4cf78254ff5a9 [0,1,0,0,0,0|2,0,1]=4 825 B11R0.145 CC[C@H](O)C(=O)NCC[C@H](C)O f941bf73ad8e45ce452d3aa88d40f369 [0,1,0,0,0,0|2,0,1]=4 826 B11R0.145 CC[C@H](S)C(=O)NCCC(=O)N afbeb25f58dadb9336f4a999a6a8e814 [0,1,0,0,0,0|2,0,0]=3 827 B11R0.145 CC[C@H](S)C(=O)NCCC(=S)N 8d54e70af99757986685c4e4d474fac0 [0,1,0,0,0,0|2,1,0]=4 828 B11R0.145 CC[C@H](S)C(=O)NCCC(C)O db3a994714338fd99b21b89270066ee1 [0,1,0,0,0,0|2,0,1]=4 829 B11R0.145 CC[C@H](S)C(=O)NCCS(=O)C 59e9762479b3d4f2dff49c1e947f2796 [0,1,0,0,0,0|3,0,0]=4 830 B11R0.145 CC[C@H](S)C(=O)NCCS(=O)O c61994a0882ae2bbcc5942aa0509e6ce [0,1,0,0,0,0|2,0,0]=3 831 B11R0.145 CC[C@H](S)C(=O)NCC[C@@H](C)O 2c4524870053bd47f51651115c3d5ae9 [0,1,0,0,0,0|2,0,1]=4 832 B11R0.145 CC[C@H](S)C(=O)NCC[C@H](C)O 39d104c13a89d707227c7723fdb692d4 [0,1,0,0,0,0|2,0,1]=4 833 B11R0.145 COC(=O)C(=O)CNCC(=O)O 19522cb9a5bdf732ca411f74cd5d4889 [0,1,0,0,0,0|2,0,1]=4 834 B11R0.145 COC(=O)C(=O)COCC(=O)O 3afc4c4375c7a63df4415aab5c45f24e [0,1,0,0,0,0|2,0,1]=4 835 B11R0.145 COC(C)C(=O)NCCC(=O)N 1fcd6516a77dd1ea0bc84f2bb4f61755 [0,1,0,0,0,0|3,0,0]=4 836 B11R0.145 COC(C)C(=O)NCCS(=O)O 86df3b411dc5c6f6fb08ccd865f2cb6c [0,1,0,0,0,0|3,0,0]=4 837 B11R0.145 CON(C)C(=O)CNCC(=O)O 1a13219d1cdc675376136a696317fc35 [0,1,0,0,0,0|3,0,0]=4 838 B11R0.145 CO[C@@H](C)C(=O)NCCC(=O)N 7de4357e0ef21288a2a49aa70ffb5114 [0,1,0,0,0,0|3,0,0]=4 839 B11R0.145 CO[C@@H](C)C(=O)NCCS(=O)O 6f06822c733d29f2f2bcedb55bb2e826 [0,1,0,0,0,0|3,0,0]=4 840 B11R0.145 CO[C@H](C)C(=O)NCCC(=O)N 0d7ec669f946b50910c352fb6176c92e [0,1,0,0,0,0|3,0,0]=4 841 B11R0.145 CO[C@H](C)C(=O)NCCS(=O)O aa8f372492338f61c80f827916df19c1 [0,1,0,0,0,0|3,0,0]=4 842 B11R0.145 CSC(C)C(=O)NCCC(=O)N 1d96c40fe60df5318f437b958c3f3d07 [0,1,0,0,0,0|3,0,0]=4 843 B11R0.145 CSC(C)C(=O)NCCS(=O)O c94baa69af51687a08baf3f140958d01 [0,1,0,0,0,0|3,0,0]=4 844 B11R0.145 C[C@@H](CO)N(C)CCCC(=O)O b8678bf94d8258b7cb0b86013525b4b1 [0,1,0,0,0,0|3,0,0]=4 845 B11R0.145 C[C@H](CO)N(C)CCCC(=O)O d284e91d6ba47bcbce4066900cae2654 [0,1,0,0,0,0|3,0,0]=4 846 B11R0.145 NC(=O)CCNC(=O)C(O)CO 4fc106c6ba037cc435f6ce3667988484 [0,1,0,0,0,0|3,0,0]=4 847 B11R0.145 NC(=O)CCNC(=O)[C@@H](O)CO 0335cf2561389cbfdfa65cb529253e54 [0,1,0,0,0,0|3,0,0]=4 848 B11R0.145 NC(=O)CCNC(=O)[C@H](O)CF d6abad2e8f969021391e460036cdf03e [0,1,0,0,0,0|3,0,0]=4 849 B11R0.145 O=C(NCCS(=O)O)C(O)CO 06694d5ef6cb64c18f7f417f582ab5e3 [0,1,0,0,0,0|3,0,0]=4 850 B11R0.145 O=C(NCCS(=O)O)[C@@H](O)CO 5be4c284ad3cac0a4019a3b79cd80c25 [0,1,0,0,0,0|3,0,0]=4 851 B11R0.145 O=C(NCCS(=O)O)[C@H](O)CF 0d9ec6f2aa658455e13aa245d9fa8f00 [0,1,0,0,0,0|3,0,0]=4 852 B11R0.147 C#CCCC(=O)NCCC(=O)N dc63de945bb964d93d352da8efa0a999 [0,1,0,0,0,0|2,0,1]=4 853 B11R0.147 C#CCCC(=O)NCCS(=O)O e8e2c599c6aaee9af46da22544893200 [0,1,0,0,0,0|2,0,1]=4 854 B11R0.147 C#CCCN(C)CCCC(=O)O 133b93b05f9bbdaa61bfdeebf901574c [0,1,0,0,0,0|2,0,1]=4 855 B11R0.147 C#CCNC(=O)CCCC(=O)C 269ae8da873a5f4c521759228e60daa2 [0,1,0,0,0,0|1,0,2]=4 856 B11R0.147 C#CCNC(=O)CCCC(=O)N 592595a3c0eb8e9a7eeab8559f608567 [0,1,0,0,0,0|1,0,2]=4 857 B11R0.147 C#CCNC(=O)CNCC(=O)O 59c9139c01255a2f5e8b327d2b767f9b [0,1,0,0,0,0|1,0,2]=4 858 B11R0.147 C#CCNC(=O)COCC(=O)O 65b4661afc99ee2eca94790b3a81cd89 [0,1,0,0,0,0|1,0,2]=4 859 B11R0.147 C#CCNC(=O)NCCC(=O)O 1c7d3552372b5cf299ba78d8f9976ea2 [0,1,0,0,0,0|1,0,2]=4 860 B11R0.147 C/C=C/CC(=O)NCCC(=O)N af2945c37dd0dc3972fcf8f8b13f06db [0,1,0,0,0,0|2,0,1]=4 861 B11R0.147 C/C=C/CC(=O)NCCS(=O)O 0f702bf7f9584444a17a2609b035b651 [0,1,0,0,0,0|2,0,1]=4 862 B11R0.147 C/C=C/CN(C)CCCC(=O)O 8a02bfffc596bc38de00131c3c9c1252 [0,1,0,0,0,0|2,0,1]=4 863 B11R0.147 C/C=C\CN(C)CCCC(=O)O 3e0a7e89d825d6634851279065789024 [0,1,0,0,0,0|2,0,1]=4 864 B11R0.147 C=C(Br)CNCC(=O)CCSC f3959fae77223c203e87d4c329b5d663 [0,1,0,0,0,0|3,0,0]=4 865 B11R0.147 C=C(Br)CNCC(=O)NCCC d35ead297243d1224964675e77f74aa9 [0,1,0,0,0,0|3,0,0]=4 866 B11R0.147 C=C(Br)CNCC(=O)OCCC 10a742126ee2fdaf6b5bc72af87ceac8 [0,1,0,0,0,0|3,0,0]=4 867 B11R0.147 C=C(Br)COCC(=O)CCSC 0b8ae7e1ad53e4c0fac644f0b8239242 [0,1,0,0,0,0|3,0,0]=4 868 B11R0.147 C=C(Br)COCC(=O)NCCC 50c409fe3d97bec3a9eafb28988d0fcf [0,1,0,0,0,0|3,0,0]=4 869 B11R0.147 C=C(Br)COCC(=O)OCCC b8c0126945ac6f749e8adee5aba7ab2e [0,1,0,0,0,0|3,0,0]=4 870 B11R0.147 C=C(C)CCCC(=O)NCCBr f6c6ac3e49742a68eb5002ccaae775a6 [0,1,0,0,0,0|3,0,0]=4 871 B11R0.147 C=C(C)CCCC(=O)NCCC 29fb072ff8a59f4e9c43b684e2b50a2d [0,1,0,0,0,0|2,0,0]=3 872 B11R0.147 C=C(C)CCCC(=O)NCCF 265a82c95039e30724b44b036eef30e9 [0,1,0,0,0,0|3,0,0]=4 873 B11R0.147 C=C(C)CCCC(=O)NCCI becc6271ce3e804c52739f5a3380b16a [0,1,0,0,0,0|3,0,0]=4 874 B11R0.147 C=C(C)CCCC(=O)NCCO 064eb7d359fe37d9a06e12cbb7f3a26f [0,1,0,0,0,0|3,0,0]=4 875 B11R0.147 C=C(C)CCCC(=O)NCCS 930245b34c499c878ba74a21ae9a7196 [0,1,0,0,0,0|3,0,0]=4 876 B11R0.147 C=C(C)CCNC(=O)CCCC db1c8374a33b9f39bd7ce4d4faa0e8b3 [0,1,0,0,0,0|3,0,0]=4 877 B11R0.147 C=C(C)CCNC(=O)CCCF 4964ed620441983256b9b8b6b0e9bc22 [0,1,0,0,0,0|3,0,0]=4 878 B11R0.147 C=C(C)CCNC(=O)CCCS c17d3bfa5f9fe540d2f2acb26f90f889 [0,1,0,0,0,0|3,0,0]=4 879 B11R0.147 C=C(C)CCNC(=O)CCOC 3cedfd4fc9e4a45e067a6462c8c31994 [0,1,0,0,0,0|3,0,0]=4 880 B11R0.147 C=C(C)CCNC(=O)CCSC bb326dd51e91dd8446cb76149e2dced7 [0,1,0,0,0,0|3,0,0]=4 881 B11R0.147 C=C(C)CCNC(=O)COCC e34bb8edc4d1feb6a6e4df27de479a5a [0,1,0,0,0,0|3,0,0]=4 882 B11R0.147 C=C(C)CCNC(=O)CSCC 8c689211992922f2d51971f55748e87a [0,1,0,0,0,0|3,0,0]=4 883 B11R0.147 C=C(C)CCNC(=O)NCCC f3cb81e65ccc884c9b00dde212584270 [0,1,0,0,0,0|3,0,0]=4 884 B11R0.147 C=C(C)CNCC(=O)CCSC 1df5e89c7c53834b07ecbb47b8dc6e89 [0,1,0,0,0,0|3,0,0]=4 885 B11R0.147 C=C(C)CNCC(=O)NCCC d1b3181f3af29b5adcdb1a0508668f31 [0,1,0,0,0,0|3,0,0]=4 886 B11R0.147 C=C(C)CNCC(=O)OCCC 5cb9ad2ad1ae45ba30af543f23949fd9 [0,1,0,0,0,0|3,0,0]=4 887 B11R0.147 C=C(C)COCC(=O)CCSC 225ff7d8c74a66c54581064fe1c1a357 [0,1,0,0,0,0|3,0,0]=4 888 B11R0.147 C=C(C)COCC(=O)NCCC 5016f87574bb414b0103844ae2947840 [0,1,0,0,0,0|3,0,0]=4 889 B11R0.147 C=C(C)COCC(=O)OCCC abf4a472c60f7b6a5e1913c76470dbb1 [0,1,0,0,0,0|3,0,0]=4 890 B11R0.147 C=C(CNCC(=O)O)OCOC fc98fa71f43b10daf961e68331de1a0e [0,1,0,0,0,0|3,0,0]=4 891 B11R0.147 C=C(COCC(=O)O)OCOC 05728e47ed1191a33e07a6ab8d4d9182 [0,1,0,0,0,0|3,0,0]=4 892 B11R0.147 C=C(Cl)CNCC(=O)NCCC 1eaef3104da3aabd4956b1403063a09d [0,1,0,0,0,0|3,0,0]=4 893 B11R0.147 C=C(Cl)COCC(=O)CCSC 35debf9e7c1213865f8fa814a5182671 [0,1,0,0,0,0|3,0,0]=4 894 B11R0.147 C=C(Cl)COCC(=O)NCCC 1731ba777724a09aad116f5a8ed4d180 [0,1,0,0,0,0|3,0,0]=4 895 B11R0.147 C=C(Cl)COCC(=O)OCCC 0677f5f6bd55ca6a02f6f1680087f357 [0,1,0,0,0,0|3,0,0]=4 896 B11R0.147 C=C(F)CNCC(=O)NCCC 22b3eda482ecce4daba291abac28b5b0 [0,1,0,0,0,0|3,0,0]=4 897 B11R0.147 C=C(F)COCC(=O)CCSC 14f17c5cb42f30eb750d74a34009d7e2 [0,1,0,0,0,0|3,0,0]=4 898 B11R0.147 C=C(F)COCC(=O)OCCC 17e833978081355de6e5e63254dbabe8 [0,1,0,0,0,0|3,0,0]=4 899 B11R0.147 C=C(I)COCC(=O)CCSC 22cd16a2e3816920aa1a51c0439f5eef [0,1,0,0,0,0|3,0,0]=4 900 B11R0.147 C=C(I)COCC(=O)NCCC 1a4db82717becf0dbea8228142f8c946 [0,1,0,0,0,0|3,0,0]=4 901 B11R0.147 C=C(I)COCC(=O)OCCC 37f5aa7b025876ad67a77388af4d6753 [0,1,0,0,0,0|3,0,0]=4 902 B11R0.147 C=CCCC(=O)NCCC(=O)N f5e851fe19fabc1c7d2cdff8e8fcbe70 [0,1,0,0,0,0|2,0,1]=4 903 B11R0.147 C=CCCC(=O)NCCS(=O)O ad44a3ae79719028e10437e19365aa18 [0,1,0,0,0,0|2,0,1]=4 904 B11R0.147 C=CCCN(C)CCCC(=O)O 0ba853d0f3ac6a911361fd3d33b1d9d6 [0,1,0,0,0,0|2,0,1]=4 905 B11R0.147 C=CCNC(=O)CNCC(=O)O 24eac289de6e7ad178320a9cb65f7cde [0,1,0,0,0,0|1,0,2]=4 906 B11R0.147 C=CCNC(=O)COCC(=O)O 480c7b4268393168ccd0f5b305ff7ea9 [0,1,0,0,0,0|1,0,2]=4 907 B11R0.147 C=CCOC(=O)CNCC(=O)O 4fbc862c49f72dde5729501a173e1cc3 [0,1,0,0,0,0|1,0,2]=4 908 B11R0.147 C=CCOC(=O)COCC(=O)O 27baa2c4e325d9f3041dd21646031a14 [0,1,0,0,0,0|1,0,2]=4 909 B11R0.147 CC#CCC(=O)NCCC(=O)N d5ea54ea8894ef87b4eab0a2b9d834e2 [0,1,0,0,0,0|2,0,1]=4 910 B11R0.147 CC#CCC(=O)NCCS(=O)O 5836028ceb6bfbe48e835ef52c83028f [0,1,0,0,0,0|2,0,1]=4 911 B11R0.147 CC(=O)CCCC(=O)NCC#N fd785bf8fb6f78da41c12dae297d1917 [0,1,0,0,0,0|2,0,1]=4 912 B11R0.147 CC(=O)CCCC(=O)NCCBr 69c36dbf0b1d3cbff8b3fb13ecb683dd [0,1,0,0,0,0|2,0,0]=3 913 B11R0.147 CC(=O)CCCC(=O)NCCF f2ff71abac8f7dd60edc11e6794647bb [0,1,0,0,0,0|2,0,0]=3 914 B11R0.147 CC(=O)CCCC(=O)NCCI 533fb18d14e3d0c1abd2501343f894ae [0,1,0,0,0,0|2,0,0]=3 915 B11R0.147 CC(=O)CCCC(=O)NCCO e346e8996e82c91a88c89a5a06c5cb56 [0,1,0,0,0,0|2,0,0]=3 916 B11R0.147 CC(=O)CCCC(=O)NCCS 2ba2f033242bdf12892f1371313adba3 [0,1,0,0,0,0|2,0,0]=3 917 B11R0.147 CC(=O)CCCN(C)CCCO fc02099084e6be0f0ec0fa4a56c25490 [0,1,0,0,0,0|3,0,0]=4 918 B11R0.147 CC(=O)NCCC(=O)NCCBr 6a831e188fb4b4815394bbf1f7f97c64 [0,1,0,0,0,0|3,0,0]=4 919 B11R0.147 CC(=O)NCCC(=O)NCCF 86bb3e3a0c559671fa6f5de552188402 [0,1,0,0,0,0|3,0,0]=4 920 B11R0.147 CC(=O)NCCC(=O)NCCI 5ba0364600399a53723bdb455c5f36f4 [0,1,0,0,0,0|3,0,0]=4 921 B11R0.147 CC(=O)NCCC(=O)NCCO a20a8c82cc7b5c2d4cdad6ccd64553a3 [0,1,0,0,0,0|3,0,0]=4 922 B11R0.147 CC(=O)NCCC(=O)NCCS 25a272841dccb0201eb54b4e7ae05d2c [0,1,0,0,0,0|3,0,0]=4 923 B11R0.147 CC(=O)OCCC(=O)NCCBr 2911ca079c30ae19f92d28af76a634a9 [0,1,0,0,0,0|3,0,0]=4 924 B11R0.147 CC(=O)OCCC(=O)NCCF 110865bc4b3ca2e465c22e0952175f68 [0,1,0,0,0,0|3,0,0]=4 925 B11R0.147 CC(=O)OCCC(=O)NCCI d677c3bbe829a30b5d437ce56fa832ee [0,1,0,0,0,0|3,0,0]=4 926 B11R0.147 CC(=O)OCCC(=O)NCCO c034781a36376b2f0fc05474846961f5 [0,1,0,0,0,0|3,0,0]=4 927 B11R0.147 CC(=O)OCCC(=O)NCCS 85735a58a73e96942b9961163a28382f [0,1,0,0,0,0|3,0,0]=4 928 B11R0.147 CC(=O)SCCC(=O)NCCBr ffec71bc9eb49eb07d72741e421eceee [0,1,0,0,0,0|3,0,0]=4 929 B11R0.147 CC(=O)SCCC(=O)NCCF eca2bc378ade47fda9b73a378bfc3a54 [0,1,0,0,0,0|3,0,0]=4 930 B11R0.147 CC(=O)SCCC(=O)NCCI a65403d13b1a238bbe46234d0ea98e0a [0,1,0,0,0,0|3,0,0]=4 931 B11R0.147 CC(=O)SCCC(=O)NCCO 81d218727fa5393a1758d264ff939419 [0,1,0,0,0,0|3,0,0]=4 932 B11R0.147 CC(=O)SCCC(=O)NCCS 901afcc24ad6d835e96a2ce7f7a3d617 [0,1,0,0,0,0|3,0,0]=4 933 B11R0.147 CC(CCCO)NCCC(=O)O 0a84f673b85627d338064254e1b9d482 [0,1,0,0,0,0|2,0,1]=4 934 B11R0.147 CC(O)CCNC(=O)CCCF ee4269ec6bc8e7fe80a5949ebcbfbeac [0,1,0,0,0,0|2,0,1]=4 935 B11R0.147 CC(O)CCNC(=O)CCCS a97be48e6eeb190c1e010420379609f0 [0,1,0,0,0,0|2,0,1]=4 936 B11R0.147 CC/C=C/C(=O)NCCC(=O)N 0cfe6c52a9f6dd14d6711f70ffeec0d3 [0,1,0,0,0,0|2,0,1]=4 937 B11R0.147 CC/C=C/C(=O)NCCS(=O)O bf3e55ec1ec9366c71e60eeb0ecb792f [0,1,0,0,0,0|2,0,1]=4 938 B11R0.147 CC/C=C\C(=O)NCCC(=O)N 95df1b5f906f5f3766307f1cbe768d7b [0,1,0,0,0,0|2,0,1]=4 939 B11R0.147 CC/C=C\C(=O)NCCS(=O)O 08ac375fa3900878c37ebb1d0d4ca425 [0,1,0,0,0,0|2,0,1]=4 940 B11R0.147 CCC#CC(=O)NCCC(=O)N 6b96e2ea90848521fa8dc06e4774e8ba [0,1,0,0,0,0|2,0,1]=4 941 B11R0.147 CCC#CC(=O)NCCS(=O)O 289b0e3dd879f021851424636b7a7780 [0,1,0,0,0,0|2,0,1]=4 942 B11R0.147 CCC=CC(=O)NCCC(=O)N 50e55e39afc183a5ac1eee6f0e1e0a70 [0,1,0,0,0,0|2,0,1]=4 943 B11R0.147 CCC=CC(=O)NCCS(=O)O 9b7bf082c396939eb7060f4dcb8ddc1a [0,1,0,0,0,0|2,0,1]=4 944 B11R0.147 CCCCC(=O)NCCC(=O)N 048c5b243b14fe09bf0ac19371807795 [0,1,0,0,0,0|2,0,0]=3 945 B11R0.147 CCCCC(=O)NCCC(=S)N ae25c2dc64d012bf61d1ebfc4e67f532 [0,1,0,0,0,0|2,1,0]=4 946 B11R0.147 CCCCC(=O)NCCC(C)O 7aaca4f02466a48e7b0e77dd77bcf92e [0,1,0,0,0,0|2,0,1]=4 947 B11R0.147 CCCCC(=O)NCCS(=O)C f3e5d923df128154ce783b550c263138 [0,1,0,0,0,0|3,0,0]=4 948 B11R0.147 CCCCC(=O)NCCS(=O)O 43d7fdf198fafd42d478fbde65b6a1da [0,1,0,0,0,0|2,0,0]=3 949 B11R0.147 CCCCC(=O)NCC[C@@H](C)O 51765c4fe546002974c228bb17f8fe5f [0,1,0,0,0,0|2,0,1]=4 950 B11R0.147 CCCCC(=O)NCC[C@H](C)O 7915b6c716e2dba7440a7863ffd54996 [0,1,0,0,0,0|2,0,1]=4 951 B11R0.147 CCCCC(C)COCC(=O)O 9ef64333eda5ab77446d850437b4b702 [0,1,0,0,0,0|2,0,1]=4 952 B11R0.147 CCCCC(C)NCCC(=O)O c7b1f15f3546628c2966408987ee05d4 [0,1,0,0,0,0|2,0,1]=4 953 B11R0.147 CCCCC(O)CNCC(=O)O 12d23a216214115c26b91a124bcfe6f6 [0,1,0,0,0,0|1,0,2]=4 954 B11R0.147 CCCCN(C)CCCC(=O)C abc7666fa9422368eaa5ed52008f4eec [0,1,0,0,0,0|3,0,0]=4 955 B11R0.147 CCCCN(C)CCCC(=O)N 10f1e70d4deedd76e23ba9a5f3f7fa86 [0,1,0,0,0,0|3,0,0]=4 956 B11R0.147 CCCCN(C)CCCC(=O)O d27e769f81999c0feb094daf3684f278 [0,1,0,0,0,0|2,0,0]=3 957 B11R0.147 CCCC[C@@H](C)NCCC(=O)O b6fdd76e08178d66c6878d9a951d46a6 [0,1,0,0,0,0|2,0,1]=4 958 B11R0.147 CCCNC(=O)CCC=C(C)C 8d6145ea5c674ecc023b1f9edcc9edf4 [0,1,0,0,0,0|2,0,1]=4 959 B11R0.147 CCCNC(=O)CCCC(=O)C c5a6c1fa0c374636854f24398695434a [0,1,0,0,0,0|1,0,0]=2 960 B11R0.147 CCCNC(=O)CCCC(=O)N 7cc2aab195c89524748d57707a5cc05b [0,1,0,0,0,0|1,0,0]=2 961 B11R0.147 CCCNC(=O)CCCC(C)C d3c99083648aa796f29a4eb47f90bce2 [0,1,0,0,0,0|2,0,1]=4 962 B11R0.147 CCCNC(=O)CCCN(C)C 55180a9f1b219057ff323cceb44c36d0 [0,1,0,0,0,0|3,0,0]=4 963 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] f8209868907354d94f05fb6095034c7f [0,1,0,0,0,0|1,0,1]=3 964 B11R0.147 CCCNC(=O)CCNC(=O)C 0eda2f9217dd73d4c191c4afbdbf1492 [0,1,0,0,0,0|2,0,0]=3 965 B11R0.147 CCCNC(=O)CCNC(=O)N 582d6e937b0da44ac28249cd73f26976 [0,1,0,0,0,0|2,0,0]=3 966 B11R0.147 CCCNC(=O)CCOC(=O)C 4e92812656b57ec6c2569d8bf0fc23a6 [0,1,0,0,0,0|2,0,0]=3 967 B11R0.147 CCCNC(=O)CCO[N+](=O)[O-] 425b8fa59574eb84dd5c9e53d4ddadc6 [0,1,0,0,0,0|2,0,1]=4 968 B11R0.147 CCCNC(=O)CCSC(=O)C 4135e010dd03602e9422c5342352e532 [0,1,0,0,0,0|2,0,0]=3 969 B11R0.147 CCCNC(=O)CNCC(=O)C 1c14ccafe77569596b7879bc7d1b9d4b [0,1,0,0,0,0|2,0,0]=3 970 B11R0.147 CCCNC(=O)CNCC(=O)N bc45abdf889b57f7eab26fabb7f40762 [0,1,0,0,0,0|2,0,0]=3 971 B11R0.147 CCCNC(=O)CNCC(=O)O 20c0c14c0cb06299066491247d633b24 [0,1,0,0,0,0|1,0,0]=2 972 B11R0.147 CCCNC(=O)CNCC(C)O 8aca8fbe7fd1fdcb992b70c0b2a2734b [0,1,0,0,0,0|2,0,1]=4 973 B11R0.147 CCCNC(=O)CNC[C@@H](C)O c8d2b53bcecaa64882dc40884b2241dc [0,1,0,0,0,0|2,0,1]=4 974 B11R0.147 CCCNC(=O)CNC[C@H](C)O af8e66958ca835b54397144e66ef4e81 [0,1,0,0,0,0|2,0,1]=4 975 B11R0.147 CCCNC(=O)CNC[N+](=O)[O-] 747f5563b828c613700170b0ad3713cb [0,1,0,0,0,0|2,0,1]=4 976 B11R0.147 CCCNC(=O)COCC(=O)C 2048467954e9aaf63c2859eb3f002b27 [0,1,0,0,0,0|2,0,0]=3 977 B11R0.147 CCCNC(=O)COCC(=O)N b60e954523548b3012fefeff66d8fdfb [0,1,0,0,0,0|2,0,0]=3 978 B11R0.147 CCCNC(=O)COCS(=O)O eb55c8da0e626334e0bfa8425d9c1f34 [0,1,0,0,0,0|2,0,0]=3 979 B11R0.147 CCCNC(=O)CSCC(=O)N a7a2b4caa75564141efb84b67549ba28 [0,1,0,0,0,0|2,0,0]=3 980 B11R0.147 CCCNC(=O)NCCC(=O)N 81d7ee1ded257246c0598764f144bda1 [0,1,0,0,0,0|2,0,0]=3 981 B11R0.147 CCCNC(=O)NCCC(=O)O 164a58b7fe725725702c92b2161137f4 [0,1,0,0,0,0|1,0,0]=2 982 B11R0.147 CCCNC(=O)NCCC(=S)N 99adb89ab62fcc663369ec2b2a3aedb5 [0,1,0,0,0,0|2,1,0]=4 983 B11R0.147 CCCNC(=O)NCCC(C)O 681521c4cf318531f49332345f21646d [0,1,0,0,0,0|2,0,1]=4 984 B11R0.147 CCCNC(=O)NCCS(=O)C 9894426cff6deadd6cd4c8fa8df23abe [0,1,0,0,0,0|3,0,0]=4 985 B11R0.147 CCCNC(=O)NCCS(=O)O f4e698c40fc31c9e67ab8eb7928d6ea9 [0,1,0,0,0,0|2,0,0]=3 986 B11R0.147 CCCNC(=O)NCC[C@@H](C)O 9f4f6409afe00366e7ec8c041aeef6f9 [0,1,0,0,0,0|2,0,1]=4 987 B11R0.147 CCCNC(=O)NCC[C@H](C)O 0fda91d2675b04a9344346808e7ed444 [0,1,0,0,0,0|2,0,1]=4 988 B11R0.147 CCCNC(=S)NCCC(=O)N 930e08efc0a963c2f311b33f3241681b [0,1,0,0,0,0|2,1,0]=4 989 B11R0.147 CCCNC(=S)NCCC(=O)O 8b0189db54bb6a3003893d6e8c2ce51c [0,1,0,0,0,0|1,1,0]=3 990 B11R0.147 CCCNC(=S)NCCS(=O)O 0d8dba85ee66dfcac030de0e2a0504fc [0,1,0,0,0,0|2,1,0]=4 991 B11R0.147 CCCOC(=O)CNCC(=O)C 7a6a357128f1a74fb60666b9a268a04f [0,1,0,0,0,0|2,0,0]=3 992 B11R0.147 CCCOC(=O)CNCC(=O)N f55005ff3fb5c84d8251fde5851025d3 [0,1,0,0,0,0|2,0,0]=3 993 B11R0.147 CCCOC(=O)CNCC(=O)O ca38d75bfe1967e25a90ee5e2668578c [0,1,0,0,0,0|1,0,0]=2 994 B11R0.147 CCCOC(=O)CNCC(C)O 6a8d3605fa6e3fe4067c3ab4bb569329 [0,1,0,0,0,0|2,0,1]=4 995 B11R0.147 CCCOC(=O)CNC[C@@H](C)O 8d306c68550a622e248b8f5e9ae6a03e [0,1,0,0,0,0|2,0,1]=4 996 B11R0.147 CCCOC(=O)CNC[C@H](C)O 5d5bd11a9bfcfd7a3b9eea2c2ea216d0 [0,1,0,0,0,0|2,0,1]=4 997 B11R0.147 CCCOC(=O)COCC(=O)C 9f1bd3e5a30353242d54ebb9357f6923 [0,1,0,0,0,0|2,0,0]=3 998 B11R0.147 CCCOC(=O)COCC(=O)N 80276a2c723d7715d7664b065f045bf6 [0,1,0,0,0,0|2,0,0]=3 999 B11R0.147 CCCOC(=O)COCC(=O)O a9073d193a3fdd4b64080cd2591a05c4 [0,1,0,0,0,0|1,0,0]=2 1000 B11R0.147 CCCOC(=O)COCC(=S)N eb798a311d4ab77429f565f333cb2226 [0,1,0,0,0,0|2,1,0]=4 1001 B11R0.147 CCCOC(=O)COCS(=O)O 61c184278cd803d2c437f4ceec49b8c4 [0,1,0,0,0,0|2,0,0]=3 1002 B11R0.147 CCOCC(=O)NCCC(=O)N f29172124fc64544adb957c7ad541e04 [0,1,0,0,0,0|2,0,0]=3 1003 B11R0.147 CCOCC(=O)NCCC(=S)N 7d85cd132aea3e7b92332920ffb5fd62 [0,1,0,0,0,0|2,1,0]=4 1004 B11R0.147 CCOCC(=O)NCCC(C)O b07b825e0e4b194c3db717ac1a5ece43 [0,1,0,0,0,0|2,0,1]=4 1005 B11R0.147 CCOCC(=O)NCCS(=O)C 01fa9a5006d9c704d3fbe815bc4463d6 [0,1,0,0,0,0|3,0,0]=4 1006 B11R0.147 CCOCC(=O)NCCS(=O)O a014851d0cdafbd55ae344003360758b [0,1,0,0,0,0|2,0,0]=3 1007 B11R0.147 CCOCC(=O)NCC[C@@H](C)O f53d31762a4cab98760f72e8c05e63cc [0,1,0,0,0,0|2,0,1]=4 1008 B11R0.147 CCOCC(=O)NCC[C@H](C)O baf1283307b1216c4642f96271e2b877 [0,1,0,0,0,0|2,0,1]=4 1009 B11R0.147 CCOCC(C)COCC(=O)O 1860f499eedd358b2cf3ff06452df843 [0,1,0,0,0,0|2,0,1]=4 1010 B11R0.147 CCOCC(C)OCCC(=O)O 23fb76fb6f1d42ad22e9f31fb991ae25 [0,1,0,0,0,0|2,0,1]=4 1011 B11R0.147 CCOCC(O)CNCC(=O)O 612508c3ec489602335763d22880faab [0,1,0,0,0,0|1,0,2]=4 1012 B11R0.147 CCOCN(C)CCCC(=O)N 15e80500ad054a01cd7529ab6e685a61 [0,1,0,0,0,0|3,0,0]=4 1013 B11R0.147 CCOCN(C)CCCC(=O)O 432497fae05909ebec99c176eca0e18c [0,1,0,0,0,0|2,0,0]=3 1014 B11R0.147 CCSCC(=O)NCCC(=O)N 071348628fec35956fca4a6cbde3e496 [0,1,0,0,0,0|2,0,0]=3 1015 B11R0.147 CCSCC(=O)NCCC(=S)N 579af8bc5ff41ebd0fb446e634d913fc [0,1,0,0,0,0|2,1,0]=4 1016 B11R0.147 CCSCC(=O)NCCC(C)O f64e92125ece9a2f9829bb41c397c5f4 [0,1,0,0,0,0|2,0,1]=4 1017 B11R0.147 CCSCC(=O)NCCS(=O)C 8baf9b5fad468b9197f498a876b177c8 [0,1,0,0,0,0|3,0,0]=4 1018 B11R0.147 CCSCC(=O)NCCS(=O)O 945eee709997b49bad7618f7132abaab [0,1,0,0,0,0|2,0,0]=3 1019 B11R0.147 CCSCC(=O)NCC[C@@H](C)O 997048adb0b833a72893438e60f20dc8 [0,1,0,0,0,0|2,0,1]=4 1020 B11R0.147 CCSCC(=O)NCC[C@H](C)O 6ddc35f598237d39f28818cf847b1d51 [0,1,0,0,0,0|2,0,1]=4 1021 B11R0.147 CN(CCC#N)CCCC(=O)O ff1f771b5d2377753c15af9e7c9aba91 [0,1,0,0,0,0|2,0,1]=4 1022 B11R0.147 CN(CCC=O)CCCC(=O)O 3f4953d79ca5c8abf0cd8a42b5820739 [0,1,0,0,0,0|2,0,1]=4 1023 B11R0.147 CN(CCCC(=O)O)CCON e59c5fbbbc505428027d3a83df5fa76d [0,1,0,0,0,0|3,0,0]=4 1024 B11R0.147 CN(CCCF)CCCC(=O)N b806bb1ced7f6acb6535b9b1ac212ca8 [0,1,0,0,0,0|3,0,0]=4 1025 B11R0.147 CN(CCCF)CCCC(=O)O 7847e8daa408c57a846702c31809d4ce [0,1,0,0,0,0|2,0,0]=3 1026 B11R0.147 CN(CCCO)CCCC(=O)N d49d812b78f009b8f7a33ff621899bb3 [0,1,0,0,0,0|3,0,0]=4 1027 B11R0.147 CN(CCCO)CCCC(=O)O 5943ca1e540c5e55779b3ddbe6e0cecd [0,1,0,0,0,0|2,0,0]=3 1028 B11R0.147 CN(CCCS)CCCC(=O)N 3572e4a0a7d4f8b9ce771f76770672aa [0,1,0,0,0,0|3,0,0]=4 1029 B11R0.147 CN(CCCS)CCCC(=O)O 7ae1a8afe0cc8572683c4290214feb77 [0,1,0,0,0,0|2,0,0]=3 1030 B11R0.147 COCCC(=O)NCCC(=O)N 222551217ce788926044cb53feb79490 [0,1,0,0,0,0|2,0,0]=3 1031 B11R0.147 COCCC(=O)NCCC(=S)N 153a25595c2b0f0ea5f9b1a36c780797 [0,1,0,0,0,0|2,1,0]=4 1032 B11R0.147 COCCC(=O)NCCC(C)O 94b2036d8e9b3a1f778db5eef2d77ed7 [0,1,0,0,0,0|2,0,1]=4 1033 B11R0.147 COCCC(=O)NCCS(=O)C 365cad77f64f9b4950278f9d30f0fea3 [0,1,0,0,0,0|3,0,0]=4 1034 B11R0.147 COCCC(=O)NCCS(=O)O be729f8d138f79c0c3221fbf218706c1 [0,1,0,0,0,0|2,0,0]=3 1035 B11R0.147 COCCC(=O)NCC[C@@H](C)O 301f95e6dff3d7e4e143770a66a73c18 [0,1,0,0,0,0|2,0,1]=4 1036 B11R0.147 COCCC(=O)NCC[C@H](C)O 51c25ea64de3e592edd39630f9b30878 [0,1,0,0,0,0|2,0,1]=4 1037 B11R0.147 COCCC(C)OCCC(=O)O 5f1a4a68dc31488f5e97217537da23e3 [0,1,0,0,0,0|2,0,1]=4 1038 B11R0.147 COCCN(C)CCCC(=O)C 682c56647ec72218af4b3d1a6947e278 [0,1,0,0,0,0|3,0,0]=4 1039 B11R0.147 COCCN(C)CCCC(=O)N b528bbcc1ecd1020c64aba6ef9ed4d0e [0,1,0,0,0,0|3,0,0]=4 1040 B11R0.147 COCCN(C)CCCC(=O)O 16873fc523c100821b9185b70f451e80 [0,1,0,0,0,0|2,0,0]=3 1041 B11R0.147 CS(=O)CCNC(=O)CCCF 6f9a2d54cbda658c07cb60fec6ed62ed [0,1,0,0,0,0|3,0,0]=4 1042 B11R0.147 CS(=O)CCNC(=O)CCCS 5b9f09ffdf705593b9642476fdda0003 [0,1,0,0,0,0|3,0,0]=4 1043 B11R0.147 CSCCC(=O)CNCC(=O)C d6a36947a28d400443cf303300fad4c6 [0,1,0,0,0,0|2,0,0]=3 1044 B11R0.147 CSCCC(=O)CNCC(=O)N 89b674a1ff1b4a5bab01b17b1f3ea1b9 [0,1,0,0,0,0|2,0,0]=3 1045 B11R0.147 CSCCC(=O)CNCC(=O)O 2aeec0f86b02d2e49eda413816c89508 [0,1,0,0,0,0|1,0,0]=2 1046 B11R0.147 CSCCC(=O)CNCC(C)O c0d8fe526051ee2f9d7feeef118ff9ce [0,1,0,0,0,0|2,0,1]=4 1047 B11R0.147 CSCCC(=O)CNC[C@@H](C)O af6287cfd17a3e41f1ab7bde6a74a834 [0,1,0,0,0,0|2,0,1]=4 1048 B11R0.147 CSCCC(=O)CNC[C@H](C)O 6500d257b9301dc765a242b7f88cf34a [0,1,0,0,0,0|2,0,1]=4 1049 B11R0.147 CSCCC(=O)COCC(=O)C 764eb65f315d3f55ae564922c643d0e1 [0,1,0,0,0,0|2,0,0]=3 1050 B11R0.147 CSCCC(=O)COCC(=O)N d04ebb66108634243c770fb4407ac7c3 [0,1,0,0,0,0|2,0,0]=3 1051 B11R0.147 CSCCC(=O)COCC(=O)O 87e1c52ab5ecc794eee5ce7562c16441 [0,1,0,0,0,0|1,0,0]=2 1052 B11R0.147 CSCCC(=O)COCC(=S)N f0c5601dadb90bb99bee662edc3f3080 [0,1,0,0,0,0|2,1,0]=4 1053 B11R0.147 CSCCC(=O)COCS(=O)O 9309cf5f95625de719e8872f3b11fd00 [0,1,0,0,0,0|2,0,0]=3 1054 B11R0.147 CSCCC(=O)NCCC(=O)N 6e68da2a80adbdd66ffef298f8f56ba3 [0,1,0,0,0,0|2,0,0]=3 1055 B11R0.147 CSCCC(=O)NCCC(=S)N d8752a50383667e3581d991722a146ce [0,1,0,0,0,0|2,1,0]=4 1056 B11R0.147 CSCCC(=O)NCCC(C)O 6d52ada0342a819e2702880fcd6f9895 [0,1,0,0,0,0|2,0,1]=4 1057 B11R0.147 CSCCC(=O)NCCS(=O)C 8c0b58f3f1cfc809bd9aa1d6f145935f [0,1,0,0,0,0|3,0,0]=4 1058 B11R0.147 CSCCC(=O)NCCS(=O)O c24f370514c87a91bfeb3e3ffd542f49 [0,1,0,0,0,0|2,0,0]=3 1059 B11R0.147 CSCCC(=O)NCC[C@@H](C)O b0216e4cd37b8c6b0db03c893d0b0a2a [0,1,0,0,0,0|2,0,1]=4 1060 B11R0.147 CSCCC(=O)NCC[C@H](C)O 122816f3564430135cfa21b942e1a631 [0,1,0,0,0,0|2,0,1]=4 1061 B11R0.147 CSCCN(C)CCCC(=O)C 126a64101469389c73477dd6ffee2653 [0,1,0,0,0,0|3,0,0]=4 1062 B11R0.147 CSCCN(C)CCCC(=O)N 21a8414caa0d5f80d19752ae14839c53 [0,1,0,0,0,0|3,0,0]=4 1063 B11R0.147 CSCCN(C)CCCC(=O)O 7b4a665c8b89f94cbd680bd369471d99 [0,1,0,0,0,0|2,0,0]=3 1064 B11R0.147 CSSCC(=O)NCCC(=O)N a63dc925bdebd64d8849bbd550b26c67 [0,1,0,0,0,0|3,0,0]=4 1065 B11R0.147 CSSCC(=O)NCCS(=O)O 1558e0841f93b2a629cc34123c5a8af6 [0,1,0,0,0,0|3,0,0]=4 1066 B11R0.147 C[C@@H](O)CCNC(=O)CCCF c38182db3d988d15a4822839c54cb635 [0,1,0,0,0,0|2,0,1]=4 1067 B11R0.147 C[C@@H](O)CCNC(=O)CCCS ec79e1ae4c9786ed64315f706a6e93da [0,1,0,0,0,0|2,0,1]=4 1068 B11R0.147 C[C@H](CCCO)CNCC(=O)O 5a64b86a049ce0228ff2384ea32773b8 [0,1,0,0,0,0|2,0,1]=4 1069 B11R0.147 C[C@H](CCCO)NCCC(=O)O f39244f1439986cbae7056b6fb46fb5c [0,1,0,0,0,0|2,0,1]=4 1070 B11R0.147 C[C@H](O)CCNC(=O)CCCF 0783e2e89f3461753697ee63a117d9e7 [0,1,0,0,0,0|2,0,1]=4 1071 B11R0.147 C[C@H](O)CCNC(=O)CCCS 87be5013f19a81c166146ff7a771dbcd [0,1,0,0,0,0|2,0,1]=4 1072 B11R0.147 N#CCCC(=O)NCCC(=O)N 042b8e3a1c11a6b4e59514ffab71db55 [0,1,0,0,0,0|2,0,1]=4 1073 B11R0.147 N#CCCC(=O)NCCS(=O)O cf5c3a663ab6b4e42421c93dc02d97b8 [0,1,0,0,0,0|2,0,1]=4 1074 B11R0.147 N#CCNC(=O)CCCC(=O)N cfbb94be3ef57669568092428275ecb3 [0,1,0,0,0,0|2,0,1]=4 1075 B11R0.147 N#CCNC(=O)CNCC(=O)O 1a5470d44b5cd4db546af61dedb7d837 [0,1,0,0,0,0|2,0,1]=4 1076 B11R0.147 N#CCNC(=O)NCCC(=O)O 938ed6c17f648ef80a5497f417cbbd51 [0,1,0,0,0,0|2,0,1]=4 1077 B11R0.147 N#CNCC(=O)NCCC(=O)O f3e4b3b1432142c95991069e59123edd [0,1,0,0,0,0|2,0,1]=4 1078 B11R0.147 NC(=O)CCCC(=O)NCCBr 77befe0f815458c75bac65a336e8bfca [0,1,0,0,0,0|2,0,0]=3 1079 B11R0.147 NC(=O)CCCC(=O)NCCF c000d80d7467525aa7f7fa6e695af8b0 [0,1,0,0,0,0|2,0,0]=3 1080 B11R0.147 NC(=O)CCCC(=O)NCCI 084b146f3478c667ed78ed11811ed17c [0,1,0,0,0,0|2,0,0]=3 1081 B11R0.147 NC(=O)CCCC(=O)NCCO 122e3c32919860227c6ee782faed31f7 [0,1,0,0,0,0|2,0,0]=3 1082 B11R0.147 NC(=O)CCCC(=O)NCCS 57d23a3e7a3a9dd1234c07750342ba1f [0,1,0,0,0,0|2,0,0]=3 1083 B11R0.147 NC(=O)CCNC(=O)CCC=O d2806de4f1114952d7165076f27469a3 [0,1,0,0,0,0|2,0,1]=4 1084 B11R0.147 NC(=O)CCNC(=O)CCCF 6c09f5747f18082b8ae719d255bd7b1b [0,1,0,0,0,0|2,0,0]=3 1085 B11R0.147 NC(=O)CCNC(=O)CCCS bbb442cacadc0110e2ad08fcf759be7c [0,1,0,0,0,0|2,0,0]=3 1086 B11R0.147 NC(=O)CCNC(=O)NCCF 996a48e68da58daaa54d477664a2fb26 [0,1,0,0,0,0|3,0,0]=4 1087 B11R0.147 NC(=O)CCNC(=O)NCCO 6beb443f7e139916d0b8fb8e7f91c70a [0,1,0,0,0,0|3,0,0]=4 1088 B11R0.147 NC(=O)CCNC(=O)NCCS 1b455697e17ebb99d84e326832d7538b [0,1,0,0,0,0|3,0,0]=4 1089 B11R0.147 NC(=O)CNCC(=O)NCCO 45208cdd9f804960c4d2b3157f7fd4e1 [0,1,0,0,0,0|3,0,0]=4 1090 B11R0.147 NC(=O)COCC(=O)NCCBr 652f1f0e1aa5e72af73b568ff4e99ff4 [0,1,0,0,0,0|3,0,0]=4 1091 B11R0.147 NC(=O)COCC(=O)NCCF 23638dbcb85432c68c437ca35a871059 [0,1,0,0,0,0|3,0,0]=4 1092 B11R0.147 NC(=O)COCC(=O)NCCI 0b54c8f74c2c79ec57c8e39071874e8e [0,1,0,0,0,0|3,0,0]=4 1093 B11R0.147 NC(=O)COCC(=O)NCCO 308a3380a641bcedd1af4ac967f77999 [0,1,0,0,0,0|3,0,0]=4 1094 B11R0.147 NC(=O)COCC(=O)NCCS c01d2b3a83b1cfd2f7e7e44fa144e171 [0,1,0,0,0,0|3,0,0]=4 1095 B11R0.147 NC(=O)CSCC(=O)NCCBr 26c527857583ed00fbcde2bd4fa1893d [0,1,0,0,0,0|3,0,0]=4 1096 B11R0.147 NC(=O)CSCC(=O)NCCF 4a3d4af5cd1378ed84c65a4def282683 [0,1,0,0,0,0|3,0,0]=4 1097 B11R0.147 NC(=O)CSCC(=O)NCCI f2f5aa6679380c1b79f9b18fb9c13f44 [0,1,0,0,0,0|3,0,0]=4 1098 B11R0.147 NC(=O)CSCC(=O)NCCO 3812f9c1c2ca85e26fb27920a7fd5059 [0,1,0,0,0,0|3,0,0]=4 1099 B11R0.147 NC(=O)CSCC(=O)NCCS 388f3471a206db5027e7526c5243f703 [0,1,0,0,0,0|3,0,0]=4 1100 B11R0.147 NC(=O)NCCC(=O)NCCBr 71e5c18879acfdf3a17273e013924acd [0,1,0,0,0,0|3,0,0]=4 1101 B11R0.147 NC(=O)NCCC(=O)NCCF d6f29e0c37cc46e12fa2dcdb093d5de4 [0,1,0,0,0,0|3,0,0]=4 1102 B11R0.147 NC(=O)NCCC(=O)NCCI 1b89657e2e8394e862b82d1a587df742 [0,1,0,0,0,0|3,0,0]=4 1103 B11R0.147 NC(=O)NCCC(=O)NCCO 73621c14561894851853bd4f01ae64da [0,1,0,0,0,0|3,0,0]=4 1104 B11R0.147 NC(=O)NCCC(=O)NCCS aa127b8a7e131476cf844e166d48a85d [0,1,0,0,0,0|3,0,0]=4 1105 B11R0.147 NC(=S)CCNC(=O)CCCF 2f6e7f21c2b363e4770557b52fecf94b [0,1,0,0,0,0|2,1,0]=4 1106 B11R0.147 NC(=S)CCNC(=O)CCCS a5b2636cd3d0efed97854ea3b41481c9 [0,1,0,0,0,0|2,1,0]=4 1107 B11R0.147 NCCNC(=O)NCCC(=O)N 4104760e7b8b8ce9306966109a89e4da [0,1,0,0,0,0|3,0,0]=4 1108 B11R0.147 NCCNC(=O)NCCC(=O)O eef05ad3061300b83155e41c6a67afc9 [0,1,0,0,0,0|2,0,0]=3 1109 B11R0.147 NCCNC(=O)NCCS(=O)O 20e38c9b72785b31425e5f45960c9092 [0,1,0,0,0,0|3,0,0]=4 1110 B11R0.147 NCCNC(=S)NCCC(=O)O e1c33919fefa50380c8aa4a6450ce9fd [0,1,0,0,0,0|2,1,0]=4 1111 B11R0.147 O=C(CCCF)NCCS(=O)O c3fac3424b1f18c7e6402a83af57bf5d [0,1,0,0,0,0|2,0,0]=3 1112 B11R0.147 O=C(CCCS)NCCS(=O)O 9f450a1a881ef14a5dd0d3df354d83b5 [0,1,0,0,0,0|2,0,0]=3 1113 B11R0.147 O=C(CCC[N+](=O)[O-])NCCBr 782ee81c39ec8447c3c5a0eeb6ca196f [0,1,0,0,0,0|2,0,1]=4 1114 B11R0.147 O=C(CCC[N+](=O)[O-])NCCF 1838a63cae37a26f5b271458f9dbf6ed [0,1,0,0,0,0|2,0,1]=4 1115 B11R0.147 O=C(CCC[N+](=O)[O-])NCCI 437296a663361f71408c8391a86efa27 [0,1,0,0,0,0|2,0,1]=4 1116 B11R0.147 O=C(CCC[N+](=O)[O-])NCCO 083e7e9efdcbb42658d021fb43bfebd0 [0,1,0,0,0,0|2,0,1]=4 1117 B11R0.147 O=C(CCC[N+](=O)[O-])NCCS 930c5313af896ae375c1f30d3c403862 [0,1,0,0,0,0|2,0,1]=4 1118 B11R0.147 O=C(NCCF)NCCS(=O)O 4a94642c531fd5f2d7618ef751c7880a [0,1,0,0,0,0|3,0,0]=4 1119 B11R0.147 O=C(NCCO)NCCS(=O)O 5fe7c452a4c6a191a12a1c1c1b6836e8 [0,1,0,0,0,0|3,0,0]=4 1120 B11R0.147 O=C(NCCS)NCCS(=O)O dd92bfac5fa8b3eccda6388086087886 [0,1,0,0,0,0|3,0,0]=4 1121 B11R0.147 O=C(O)CCNC(=O)NCCF 97f56730e35a83cfd51b7d7c6e9f5fd5 [0,1,0,0,0,0|2,0,0]=3 1122 B11R0.147 O=C(O)CCNC(=O)NCCO 354ef36f15b5fad83f74bc774852c34c [0,1,0,0,0,0|2,0,0]=3 1123 B11R0.147 O=C(O)CCNC(=O)NCCS 7b58710709b65109728a70dc17562767 [0,1,0,0,0,0|2,0,0]=3 1124 B11R0.147 O=C(O)CCNC(=S)NCCF 496037961ed65dc68db72b9511a34a77 [0,1,0,0,0,0|2,1,0]=4 1125 B11R0.147 O=C(O)CCNC(=S)NCCO e04736b7fdeae6c3a0a276e3e168a47c [0,1,0,0,0,0|2,1,0]=4 1126 B11R0.147 O=C(O)CCNC(=S)NCCS 9e3174abbd0aed4df38895d454dbdfdc [0,1,0,0,0,0|2,1,0]=4 1127 B11R0.147 O=C(O)CNCC(=O)NCCO c1ddc225b453f93a45b1121237f9c502 [0,1,0,0,0,0|2,0,0]=3 1128 B11R0.147 O=CCCC(=O)NCCS(=O)O b28e0c351b17485cc84fbed51d9efa2c [0,1,0,0,0,0|2,0,1]=4 1129 B11R0.174 C#CC(=O)NCCC(=O)OCC 99afdcd237f310d7d3fff01c7dd9c044 [0,1,0,0,0,0|3,0,0]=4 1130 B11R0.174 C#CCC(=O)NCCC(=O)NO 6e0409137ac9bc8f9b3f004c72728f2c [0,1,0,0,0,0|1,0,2]=4 1131 B11R0.174 C#CCC(=O)NCCC(=O)OC ca8156a1d8fa1eacd1fb3f71c11425bc [0,1,0,0,0,0|1,0,2]=4 1132 B11R0.174 C/C=C/C(=O)NCCC(=O)NO a8b43735eaf972350314af0e3fb21a28 [0,1,0,0,0,0|1,0,2]=4 1133 B11R0.174 C/C=C/C(=O)NCCC(=O)OC 8289bd718a5f2f6ab70ff5f99f863620 [0,1,0,0,0,0|1,0,2]=4 1134 B11R0.174 C=C(C#N)COCC(=O)CCC f1b736fd80a0cf880ab7feb011903ec6 [0,1,0,0,0,0|3,0,0]=4 1135 B11R0.174 C=C(C=O)OCCC(=O)NCC c09788ab5b31a76b2624a42c786842dd [0,1,0,0,0,0|3,0,0]=4 1136 B11R0.174 C=C(C=O)OCCC(=O)OCC c6c35947413c9769653117b187390e1b [0,1,0,0,0,0|3,0,0]=4 1137 B11R0.174 C=C(C=O)OCOC(=O)CCC 5e06f3369c3f3bf72f048b83c87a0cc0 [0,1,0,0,0,0|3,0,0]=4 1138 B11R0.174 C=C(CNCC(=O)NCC)OC 3b0b5da7f8ae6030351f25064d9f56cd [0,1,0,0,0,0|3,0,0]=4 1139 B11R0.174 C=C(CNCC(=O)OCC)OC 8d403a6d0eebc585a0c62605d4abd4a6 [0,1,0,0,0,0|3,0,0]=4 1140 B11R0.174 C=C(CO)CNCC(=O)NCC 5d883bc27799982e10aa30afecc984bc [0,1,0,0,0,0|3,0,0]=4 1141 B11R0.174 C=C(CO)CNCC(=O)OCC 93e51366e6e114787acc20798f93a5db [0,1,0,0,0,0|3,0,0]=4 1142 B11R0.174 C=C(COCC(=O)NCC)OC 126e27571c483929e553a94bb12b91c9 [0,1,0,0,0,0|3,0,0]=4 1143 B11R0.174 C=C(COCC(=O)OCC)OC 98e759ebdec570bba7ac69a3aaa1daf7 [0,1,0,0,0,0|3,0,0]=4 1144 B11R0.174 C=CC(=O)CCCN(C)CCC 0f49c3147e93c1b4f3e6aa40bf12aca9 [0,1,0,0,0,0|3,0,0]=4 1145 B11R0.174 C=CC(=O)NCCC(=O)OCC 8aa5f834cbede91a0e594cffc0f13d99 [0,1,0,0,0,0|3,0,0]=4 1146 B11R0.174 C=CC(O)CNCC(=O)CCC d520d8c295cb615ff29ae9db8eb3a707 [0,1,0,0,0,0|2,0,1]=4 1147 B11R0.174 C=CCC(=O)NCCC(=O)NO 873fabe044d1409d55687baca651ac44 [0,1,0,0,0,0|1,0,2]=4 1148 B11R0.174 C=CCC(=O)NCCC(=O)OC a8ee63a405340839b545bbc420274107 [0,1,0,0,0,0|1,0,2]=4 1149 B11R0.174 CC#CC(=O)NCCC(=O)NO ca69560bc4b0afba617eb3ccb65866a5 [0,1,0,0,0,0|1,0,2]=4 1150 B11R0.174 CC#CC(=O)NCCC(=O)OC ae4e6ebcebc02a30d380724e44149626 [0,1,0,0,0,0|1,0,2]=4 1151 B11R0.174 CCC(=O)COCC(=O)COC b2ad323138a7a13dd3e69b5485d2e11d [0,1,0,0,0,0|3,0,0]=4 1152 B11R0.174 CCCC(=O)CNCC(=O)NC fb711859fac998e8f4b8d42b8a1eb3f8 [0,1,0,0,0,0|2,0,0]=3 1153 B11R0.174 CCCC(=O)CNCC(=O)NO 7a3d5e7c2b4d8c523aeaa2a97d61824a [0,1,0,0,0,0|1,0,0]=2 1154 B11R0.174 CCCC(=O)CNCC(=O)OC bb3ba4579c3040cc77323cc5f3644d99 [0,1,0,0,0,0|1,0,0]=2 1155 B11R0.174 CCCC(=O)CNCC(C)CO 53aedab1873672eeda356b387cc5860a [0,1,0,0,0,0|2,0,1]=4 1156 B11R0.174 CCCC(=O)CNCC(F)CO 567619b69586d7dcef196e1b1f157e12 [0,1,0,0,0,0|2,0,1]=4 1157 B11R0.174 CCCC(=O)CNCC(O)CC 4ff9b1bcf0643d45034fea2f1ac5a8eb [0,1,0,0,0,0|2,0,1]=4 1158 B11R0.174 CCCC(=O)CNCC(O)CO 2253c4fe418468da92fc956cc714a0ea [0,1,0,0,0,0|1,0,2]=4 1159 B11R0.174 CCCC(=O)CNC[C@@H](C)OC f8f677c36400c0be3cbc7d57a0c0481b [0,1,0,0,0,0|2,0,1]=4 1160 B11R0.174 CCCC(=O)CNC[C@@H](F)CO 6652f9600c1ef973f528b31b9883f317 [0,1,0,0,0,0|2,0,1]=4 1161 B11R0.174 CCCC(=O)CNC[C@@H](O)CO d33ed526f57b6d842ebd1def7630498f [0,1,0,0,0,0|1,0,2]=4 1162 B11R0.174 CCCC(=O)CNC[C@H](C)CO 1f154e7a6a571099e79dd179178f2c16 [0,1,0,0,0,0|2,0,1]=4 1163 B11R0.174 CCCC(=O)CNC[C@H](C)OC 3d2c5ea61b8daada2f26d0e5281ffe54 [0,1,0,0,0,0|2,0,1]=4 1164 B11R0.174 CCCC(=O)CNC[C@H](F)CO cd974243bc7699ef74d8a81c5a6b4d20 [0,1,0,0,0,0|2,0,1]=4 1165 B11R0.174 CCCC(=O)CNC[C@H](O)CC 345b99b27a4bf75b4e3a8995dc5eb90f [0,1,0,0,0,0|2,0,1]=4 1166 B11R0.174 CCCC(=O)CNC[C@H](O)CO 7274ae55fb342e92303f4e5773a92fc1 [0,1,0,0,0,0|1,0,2]=4 1167 B11R0.174 CCCC(=O)COC/C(=C/I)/C 19c8406345fc2e8f3f36cd7df03d811e [0,1,0,0,0,0|3,0,0]=4 1168 B11R0.174 CCCC(=O)COCC(=CI)C eae9e03b5477085298563149713442d9 [0,1,0,0,0,0|3,0,0]=4 1169 B11R0.174 CCCC(=O)COCC(=O)CC 91dc256878eb6cf16348b6d554bcdbd9 [0,1,0,0,0,0|2,0,0]=3 1170 B11R0.174 CCCC(=O)COCC(=O)NC 5beca1f504c6188bc95cb51006f70ce3 [0,1,0,0,0,0|2,0,0]=3 1171 B11R0.174 CCCC(=O)COCC(=O)OC d8a821b54199b187b9b76f19cf13332f [0,1,0,0,0,0|1,0,0]=2 1172 B11R0.174 CCCC(=O)COCC(C)OC a74d14b17ff3e22d206c686423cd240f [0,1,0,0,0,0|2,0,1]=4 1173 B11R0.174 CCCC(=O)COC[C@@H](C)OC 800b629fc8c8fa3196bbe58c3b683cb2 [0,1,0,0,0,0|2,0,1]=4 1174 B11R0.174 CCCC(=O)COC[C@H](C)OC 54585352bc00b72157b92bd92c9e2dc4 [0,1,0,0,0,0|2,0,1]=4 1175 B11R0.174 CCCC(=O)NCCC(=O)NC a2cbeb6ba298dfc8cf8942b6dcb71f3f [0,1,0,0,0,0|2,0,0]=3 1176 B11R0.174 CCCC(=O)NCCC(=O)NO 9c7fc143f27edbc7ca7ad1aa9d6b93ef [0,1,0,0,0,0|1,0,0]=2 1177 B11R0.174 CCCC(=O)NCCC(=O)OC 4d6fb7da32841880d13d6f13be995f2c [0,1,0,0,0,0|1,0,0]=2 1178 B11R0.174 CCCC(=O)NCCC(C)CO 5580741a653cea89bff2f615f8a2b4f2 [0,1,0,0,0,0|2,0,1]=4 1179 B11R0.174 CCCC(=O)NCCC(O)CO 211eb0bab66a0c879404742b82c6ef0f [0,1,0,0,0,0|1,0,2]=4 1180 B11R0.174 CCCC(=O)NCC[C@@H](C)CO 0caef6e5887d044d434d243e4fc80097 [0,1,0,0,0,0|2,0,1]=4 1181 B11R0.174 CCCC(=S)OCCC(=O)NC f9a881469a62d1b4732c0dc801ac9611 [0,1,0,0,0,0|2,1,0]=4 1182 B11R0.174 CCCC(=S)OCCC(=O)OC fc5d4b6a28a0db2c29f6eabef0f1c853 [0,1,0,0,0,0|1,1,0]=3 1183 B11R0.174 CCCC(=S)OCOC(=O)OC bb59af9363fa2c24a402ae69d53df403 [0,1,0,0,0,0|2,1,0]=4 1184 B11R0.174 CCCC(C)CNCC(=O)NO 43c4ca738e4d7e67584ef78a3ce46185 [0,1,0,0,0,0|2,0,1]=4 1185 B11R0.174 CCCC(C)CNCC(=O)OC d94197d0b88a2b807c1a7f37d3ee1a25 [0,1,0,0,0,0|2,0,1]=4 1186 B11R0.174 CCCC(C)COCC(=O)OC c8cdc297b47c32fa9cddb65adece86bf [0,1,0,0,0,0|2,0,1]=4 1187 B11R0.174 CCCC(C)NCCC(=O)NO 50546ec9d2e82081671ca5ff517a4c05 [0,1,0,0,0,0|2,0,1]=4 1188 B11R0.174 CCCC(C)NCCC(=O)OC b1a1031e1f4ba318e932bfdc77e4bbf7 [0,1,0,0,0,0|2,0,1]=4 1189 B11R0.174 CCCC(C)OCCC(=O)OC 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8ba0019c105376f51f8380aca94a6d58 [0,1,0,0,0,0|3,0,0]=4 1256 B11R0.180 CCNC(=O)CNCS(=O)(=O)O a2f02bf633c05213994cad9d45181de3 [0,1,0,0,0,0|3,0,0]=4 1257 B11R0.180 CCNC(=O)COCS(=O)(=O)O aef409e5f0c69088978e26a4732527f5 [0,1,0,0,0,0|3,0,0]=4 1258 B11R0.180 CCOC(=O)CNCS(=O)(=O)O ea549d40258514eb06b0806d02d7ffe9 [0,1,0,0,0,0|3,0,0]=4 1259 B11R0.180 COCC(=O)CNCS(=O)(=O)O 8e90a1b1907db1eb4728524990b59176 [0,1,0,0,0,0|3,0,0]=4 1260 B11R0.180 COCC(=O)NCCS(=O)(=O)O 913b050989ccf09bb8468d54322ac9bc [0,1,0,0,0,0|3,0,0]=4 1261 B11R0.180 CSCC(=O)NCCS(=O)(=O)O 97759a88ff736269618bce0912928c49 [0,1,0,0,0,0|3,0,0]=4 1262 B11R0.180 O=C(CCF)NCCS(=O)(=O)O d532ea3af75d207334885cbaeb64a5d9 [0,1,0,0,0,0|3,0,0]=4 1263 B11R0.180 O=C(CCO)NCCS(=O)(=O)O 54ce4b49104ea798f05aaf99d6b68fea [0,1,0,0,0,0|3,0,0]=4 1264 B11R0.180 O=C(CCS)NCCS(=O)(=O)O 7955bf35acc93aa7f7777f7fbe8863b5 [0,1,0,0,0,0|3,0,0]=4 1265 B11R1.15 CCCC(=O)N1CCC(C1)O cd92adf77310ec2054d0dc79a16bbc14 [0,0,0,1,0,0|2,0,1]=4 1266 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O b2e939387ebb5ebbae9272c71b27e0f9 [0,0,0,1,0,0|2,0,1]=4 1267 B11R1.15 CCCC(=O)N1CC[C@H](C1)O 018a9de52dc8f47ad4c18032b60599b8 [0,0,0,1,0,0|2,0,1]=4 1268 B11R1.15 N#CNC(=O)C1CCC(=O)O1 bbae4fb361b0d2519a728f9a70737f89 [0,0,0,1,0,0|2,0,1]=4 1269 B11R1.15 N#CNC(=O)[C@@H]1CCC(=O)O1 21378c904e12cfc042ea20dd660610d6 [0,0,0,1,0,0|2,0,1]=4 1270 B11R1.15 N#CNC(=O)[C@H]1CCC(=O)O1 dad93e2e60acc710f564cb5b216b1d8c [0,0,0,1,0,0|2,0,1]=4 1271 B11R1.90 C=C(Br)COC1CCCC1=O 6693d57fc5a7ad423f715f7ad6d2a98d [0,0,0,1,0,0|3,0,0]=4 1272 B11R1.90 C=C(C)CNC1CCCC1=O 843237a27a7e66b0eb14706daaba1b94 [0,0,0,1,0,0|3,0,0]=4 1273 B11R1.90 C=C(C)COC1CCCC1=O ae3af376dfc7ce33f07b452bc4de0575 [0,0,0,1,0,0|3,0,0]=4 1274 B11R1.90 C=C(Cl)COC1CCCC1=O 04cf0d2d1373ea5b94be4b31f0ae7a70 [0,0,0,1,0,0|3,0,0]=4 1275 B11R1.90 C=C(F)COC1CCCC1=O 196db5a2e7f6429949d79c3f3bbebb31 [0,0,0,1,0,0|3,0,0]=4 1276 B11R1.90 CC(=O)CNC1CCCC1=O 2d08210ddfe40048bbeccaa3b4171906 [0,0,0,1,0,0|2,0,0]=3 1277 B11R1.90 CC(=O)CNC1CCNC1=O dcb140377e017c4ee2cf79b57f920928 [0,0,0,1,0,0|3,0,0]=4 1278 B11R1.90 CC(=O)COC1CCCC1=O 51664da57ba63bc8070648c655510765 [0,0,0,1,0,0|2,0,0]=3 1279 B11R1.90 CC(=O)COC1CCNC1=O 8cf81b4b4e119bcda1e4c10672aec9e1 [0,0,0,1,0,0|3,0,0]=4 1280 B11R1.90 CC(=O)NCC1CCNC1=O 3e940baf09ece1ca8421729dca89cec5 [0,0,0,1,0,0|3,0,0]=4 1281 B11R1.90 CC(O)CNC1CCCC1=O ea66dba85abbb29a4f9f5479afa5a9b6 [0,0,0,1,0,0|2,0,1]=4 1282 B11R1.90 CC1CCCC1OCC(=O)O 8b302fdcccb2e5b0cbc05eb78f61b043 [0,0,0,1,0,0|2,0,1]=4 1283 B11R1.90 CC1CCCN1CCC(=O)O 5dcf506a51a046fb0501db2e405b0462 [0,0,0,1,0,0|2,0,1]=4 1284 B11R1.90 C[C@@H](O)CNC1CCCC1=O 616a498507d74c3a6c5d1b105ef66945 [0,0,0,1,0,0|2,0,1]=4 1285 B11R1.90 C[C@@H]1CCCN1CCC(=O)O 96dc0a47aa28ac6e47d8d4bf1e71e990 [0,0,0,1,0,0|2,0,1]=4 1286 B11R1.90 C[C@@H]1CCC[C@@H]1OCC(=O)O 735a45401cd3b3bbab8ed3fa02f5be83 [0,0,0,1,0,0|2,0,1]=4 1287 B11R1.90 C[C@@H]1CCC[C@H]1OCC(=O)O 1c7967d6457face00634b93870635bd7 [0,0,0,1,0,0|2,0,1]=4 1288 B11R1.90 C[C@H](O)CNC1CCCC1=O ee128eaf0b76a604c3c1d527550c553b [0,0,0,1,0,0|2,0,1]=4 1289 B11R1.90 C[C@H]1CCCN1CCC(=O)O 15177369ccddfffa267e0f1ea23ee8e6 [0,0,0,1,0,0|2,0,1]=4 1290 B11R1.90 C[C@H]1CCC[C@@H]1OCC(=O)O 1011d83d813a08e7d91c46348c016f66 [0,0,0,1,0,0|2,0,1]=4 1291 B11R1.90 C[C@H]1CCC[C@H]1OCC(=O)O 41f392f14989d15a78b37a9a4a93f045 [0,0,0,1,0,0|2,0,1]=4 1292 B11R1.90 NC(=O)CNC1CCCC1=O 28812942c3af3292940a31eb3f059623 [0,0,0,1,0,0|2,0,0]=3 1293 B11R1.90 NC(=O)CNC1CCNC1=O 6785de8bace1a10d3dcde96257046bc0 [0,0,0,1,0,0|3,0,0]=4 1294 B11R1.90 NC(=O)CNC1CCSC1=O cee80ac2ea127fecc836e4761b4560f3 [0,0,0,1,0,0|3,0,0]=4 1295 B11R1.90 NC(=O)CN[C@@H]1CCNC1=O 690d4b8e7e39f7a85d9dfa6b7cb315c1 [0,0,0,1,0,0|3,0,0]=4 1296 B11R1.90 NC(=O)CN[C@@H]1CCOC1=O be9e3873f25b253307611809220e35df [0,0,0,1,0,0|3,0,0]=4 1297 B11R1.90 NC(=O)CN[C@H]1CCNC1=O e258af0e3670bb2fde37d7b61ee9d8eb [0,0,0,1,0,0|3,0,0]=4 1298 B11R1.90 NC(=O)CN[C@H]1CCOC1=O cee1d9612733f89e50137769bc7a23a1 [0,0,0,1,0,0|3,0,0]=4 1299 B11R1.90 NC(=O)COC1CCCC1=O 7703428569fa2112774e1ce459ed5552 [0,0,0,1,0,0|2,0,0]=3 1300 B11R1.90 NC(=O)COC1CCNC1=O e3872ed26082d31e898855b99b1e8c96 [0,0,0,1,0,0|3,0,0]=4 1301 B11R1.90 NC(=O)COC1CCOC1=O 83cf5ba733dfecffaeccaf7a8a5453bc [0,0,0,1,0,0|3,0,0]=4 1302 B11R1.90 NC(=O)CO[C@@H]1CCNC1=O 32607e8118ffe377f61306e4f187b47e [0,0,0,1,0,0|3,0,0]=4 1303 B11R1.90 NC(=O)CO[C@@H]1CCOC1=O 66a0b988655ad65d5401e8d03ffe0904 [0,0,0,1,0,0|3,0,0]=4 1304 B11R1.90 NC(=O)CO[C@H]1CCNC1=O a355171c5d208de034b6c1402036be62 [0,0,0,1,0,0|3,0,0]=4 1305 B11R1.90 NC(=O)CO[C@H]1CCOC1=O 4da200159817ea39cb529a7fcbb5875e [0,0,0,1,0,0|3,0,0]=4 1306 B11R1.90 O=C(O)CCN1CCCC1O 3c721be2a5f13d4f83ec3fdb254a149f [0,0,0,1,0,0|1,0,2]=4 1307 B11R1.90 O=C(O)CNC1CCCC1O 4ebe649c114bd55216e6381c318bf421 [0,0,0,1,0,0|1,0,2]=4 1308 B11R1.90 O=C(O)CNC1CCNC1=O f5fc00811a94690a07f20f9f8e4a3074 [0,0,0,1,0,0|2,0,0]=3 1309 B11R1.90 O=C(O)CNC1CCSC1=O 5a77eb88e109142f22ff00e140610671 [0,0,0,1,0,0|2,0,0]=3 1310 B11R1.90 O=C(O)CNC1CONC1=O 38116e96f9334b37a14726e3ceb99d94 [0,0,0,1,0,0|3,0,0]=4 1311 B11R1.90 O=C(O)CN[C@@H]1CCC[C@@H]1O 4e3c6cfcceaae1d8e09f0b43011ac18b [0,0,0,1,0,0|1,0,2]=4 1312 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 0004ed21fdc2e98760db8a34ad8da636 [0,0,0,1,0,0|1,0,2]=4 1313 B11R1.90 O=C(O)CN[C@@H]1CCNC1=O 535bb0255e7f1dcc5878c94a3d1719ff [0,0,0,1,0,0|2,0,0]=3 1314 B11R1.90 O=C(O)CN[C@@H]1CCOC1=O 3b7c0d5eae3f2db488fca1cdf2bbf29f [0,0,0,1,0,0|2,0,0]=3 1315 B11R1.90 O=C(O)CN[C@@H]1CONC1=O a84d817444da327e79bcf05bce866870 [0,0,0,1,0,0|3,0,0]=4 1316 B11R1.90 O=C(O)CN[C@H]1CCC[C@@H]1O 83d9e7b37b03d01fa38520665b96bcfa [0,0,0,1,0,0|1,0,2]=4 1317 B11R1.90 O=C(O)CN[C@H]1CCC[C@H]1O 489d3fcb2f42477c58cba9671541d376 [0,0,0,1,0,0|1,0,2]=4 1318 B11R1.90 O=C(O)CN[C@H]1CCNC1=O 80300ed09ade913a4f7c639ee3d08e24 [0,0,0,1,0,0|2,0,0]=3 1319 B11R1.90 O=C(O)CN[C@H]1CCOC1=O 0d0c3e6d9b5379c1676925bb907408a8 [0,0,0,1,0,0|2,0,0]=3 1320 B11R1.90 O=C(O)CN[C@H]1CONC1=O 66c886f06b1a92298984bb5446fbe909 [0,0,0,1,0,0|3,0,0]=4 1321 B11R1.90 O=C(O)COC1=CCCC1=O f360975c54e1c99e37a26f95c829da21 [0,0,0,1,0,0|1,0,2]=4 1322 B11R1.90 O=C(O)COC1CCC=C1Br 6a08efc526d9b5bd5243a2d3b0ebe685 [0,0,0,1,0,0|2,0,1]=4 1323 B11R1.90 O=C(O)COC1CCCC1=O de7a2320c8b4a9fc7111197b63c3342f [0,0,0,1,0,0|1,0,0]=2 1324 B11R1.90 O=C(O)COC1CCNC1=O 1fdb9e2f5091664a484f5109dc70b52f [0,0,0,1,0,0|2,0,0]=3 1325 B11R1.90 O=C(O)COC1CCOC1=O 9c818de4c17e53ea81e1559da88080c3 [0,0,0,1,0,0|2,0,0]=3 1326 B11R1.90 O=C(O)CO[C@@H]1CCC[C@H]1F b444918d808f918451551dfb25df770b [0,0,0,1,0,0|2,0,1]=4 1327 B11R1.90 O=C(O)CO[C@@H]1CCNC1=O 7af202f62c11bdffd97521e67f86b2b8 [0,0,0,1,0,0|2,0,0]=3 1328 B11R1.90 O=C(O)CO[C@@H]1CCOC1=O 3362bae430a4a61ac9b397a7dda9a36f [0,0,0,1,0,0|2,0,0]=3 1329 B11R1.90 O=C(O)CO[C@H]1CCNC1=O 617f5df3720a6282f3e813ca4828e09a [0,0,0,1,0,0|2,0,0]=3 1330 B11R1.90 O=C(O)CO[C@H]1CCOC1=O a11ec7af87215dcef263976fe3f7403b [0,0,0,1,0,0|2,0,0]=3 1331 B11R1.90 O=C1CCCC1OC[N+](=O)[O-] c94659446f9589cb104e2c318c4e4a8d [0,0,0,1,0,0|2,0,1]=4 1332 B11R1.120 CCCC1CN(C1)CC(=O)O fba412a0f82a1ee01a04aa56e0be3704 [0,0,0,1,0,0|2,0,1]=4 1333 B11R1.120 CCCN1CC(C1)CC(=O)O a74e28eea77eddbeba86cd4e29d4aa9b [0,0,0,1,0,0|2,0,0]=3 1334 B11R1.120 CCNC1CC(C1)CC(=O)O c932d50daca709bf607994bb55329947 [0,0,0,1,0,0|2,0,1]=4 1335 B11R1.120 CCO[C@H]1C[C@@H](C1)CC(=O)O 7213447776fdd469a90351d8026dd1cf [0,0,0,1,0,0|2,0,1]=4 1336 B11R1.120 CCO[C@H]1C[C@H](C1)CC(=O)O 706ccad5650b5b666cd4735ffcf461be [0,0,0,1,0,0|2,0,1]=4 1337 B11R1.120 COCN1CC(C1)CC(=O)O d3cfefa24cebb718a9f560308fcce556 [0,0,0,1,0,0|3,0,0]=4 1338 B11R1.120 CSCN1CC(C1)CC(=O)O 93f3f5721f9cfd7683d2363aee1621bf [0,0,0,1,0,0|3,0,0]=4 1339 B11R1.120 O=C(O)CC1CN(C1)CCF 756e1fc581014784574d4b2469244b18 [0,0,0,1,0,0|3,0,0]=4 1340 B11R1.120 O=C(O)CC1CN(C1)CCO b7a4d528304329cb0fda9a1e0e32e135 [0,0,0,1,0,0|3,0,0]=4 1341 B11R1.120 O=C(O)CC1CN(C1)CCS 9e3f90880ea5cc8c448c94a70f0ae50f [0,0,0,1,0,0|3,0,0]=4 1342 B11R1.124 CCCN1CCC(C1)C(=O)C 68b9d9e425da70cd916c3aad788516b4 [0,0,0,1,0,0|3,0,0]=4 1343 B11R1.124 CCCN1CCC(C1)C(=O)N 7cd2d813f0b7507a3c74c2bf90a9fed4 [0,0,0,1,0,0|3,0,0]=4 1344 B11R1.124 CCCN1CCC(C1)C(=O)O 87e4e74ec5a2a9417c4168cd294b1c79 [0,0,0,1,0,0|2,0,0]=3 1345 B11R1.124 CCCN1CC[C@@H](C1)C(=O)N b6b263aad262f62bd56a2ad52c2e9884 [0,0,0,1,0,0|3,0,0]=4 1346 B11R1.124 CCCN1CC[C@@H](C1)C(=O)O f0e8b057ca9fdfbb4fe5cb890d06cef6 [0,0,0,1,0,0|2,0,0]=3 1347 B11R1.124 CCCN1CC[C@H](C1)C(=O)N 77bfbc14e23184f046d519235cd3dbc6 [0,0,0,1,0,0|3,0,0]=4 1348 B11R1.124 CCCN1CC[C@H](C1)C(=O)O 095997d10c82d1b711b0c726dec4d13b [0,0,0,1,0,0|2,0,0]=3 1349 B11R1.124 CCNC1CCC(C1)C(=O)O 8a32177e05f38c3811851d2f49ef5522 [0,0,0,1,0,0|2,0,1]=4 1350 B11R1.124 CCN[C@@H]1CC[C@@H](C1)C(=O)O e7e3b1762a14d8784b53e835bcc25e83 [0,0,0,1,0,0|2,0,1]=4 1351 B11R1.124 CCN[C@@H]1CC[C@H](C1)C(=O)O 9f7dcb7e6933010f42d1a423e4ec32d6 [0,0,0,1,0,0|2,0,1]=4 1352 B11R1.124 CCN[C@H]1CC[C@@H](C1)C(=O)O f1d4a8fc9dcb3ed49175ba69ea4366f3 [0,0,0,1,0,0|2,0,1]=4 1353 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 3e2cefc860eaf3d2a67e665161acd3fa [0,0,0,1,0,0|2,0,1]=4 1354 B11R1.124 CCOC1CCC(C1)C(=O)O 86af6eb36c87a7444d960bd2c4c650d0 [0,0,0,1,0,0|2,0,1]=4 1355 B11R1.124 CCO[C@@H]1CC[C@@H](C1)C(=O)O 54f622e4e633f49f0d461b8256af8593 [0,0,0,1,0,0|2,0,1]=4 1356 B11R1.124 CCO[C@@H]1CC[C@H](C1)C(=O)O 42ca338ff930d0894841ecff9ee89c70 [0,0,0,1,0,0|2,0,1]=4 1357 B11R1.124 CCO[C@H]1CC[C@@H](C1)C(=O)O 41c318617516a60d965d51435ee5c3de [0,0,0,1,0,0|2,0,1]=4 1358 B11R1.124 CCO[C@H]1CC[C@H](C1)C(=O)O c106c74419daa459f04264af8c285c7a [0,0,0,1,0,0|2,0,1]=4 1359 B11R1.124 COCN1CCC(C1)C(=O)O 0f848fb20f596af9f29e75b05c585e17 [0,0,0,1,0,0|3,0,0]=4 1360 B11R1.124 COCN1CC[C@@H](C1)C(=O)O a7b8cd2961f98448e733dfa697671537 [0,0,0,1,0,0|3,0,0]=4 1361 B11R1.124 COCN1CC[C@H](C1)C(=O)O 1173552c3a6a7886ab37dcbbacaac032 [0,0,0,1,0,0|3,0,0]=4 1362 B11R1.124 CSCN1CCC(C1)C(=O)O 3d5c042c339e4f3e07c4f45c260bd8ac [0,0,0,1,0,0|3,0,0]=4 1363 B11R1.124 CSCN1CC[C@@H](C1)C(=O)O 003dfd2012f78ff84a0d14b61c062183 [0,0,0,1,0,0|3,0,0]=4 1364 B11R1.124 CSCN1CC[C@H](C1)C(=O)O 2715e92b5b63e635e71f44d4716028f8 [0,0,0,1,0,0|3,0,0]=4 1365 B11R1.124 O=C(O)C1CCN(C1)CCF 665242f64b2fb6751157e097834de387 [0,0,0,1,0,0|3,0,0]=4 1366 B11R1.124 O=C(O)C1CCN(C1)CCO 7fdb450b440bb8b33fafa5b534302657 [0,0,0,1,0,0|3,0,0]=4 1367 B11R1.124 O=C(O)C1CCN(C1)CCS 684369a156fc4b73696447dee7f31631 [0,0,0,1,0,0|3,0,0]=4 1368 B11R1.124 O=C(O)[C@@H]1CCN(C1)CCF 0f4ef53e14dcc90f56ff9a22d9c31e9e [0,0,0,1,0,0|3,0,0]=4 1369 B11R1.124 O=C(O)[C@@H]1CCN(C1)CCO 0e55f3e145890c2603667c5c8cb20d88 [0,0,0,1,0,0|3,0,0]=4 1370 B11R1.124 O=C(O)[C@@H]1CCN(C1)CCS 3b10c34d7e41daadf26a445d195d1ae0 [0,0,0,1,0,0|3,0,0]=4 1371 B11R1.124 O=C(O)[C@H]1CCN(C1)CCF af94c42b7a0180866aaf15493eaacda9 [0,0,0,1,0,0|3,0,0]=4 1372 B11R1.124 O=C(O)[C@H]1CCN(C1)CCO 62510ec389da0c8195aa16a13a341f1c [0,0,0,1,0,0|3,0,0]=4 1373 B11R1.124 O=C(O)[C@H]1CCN(C1)CCS e880f0d4ab950ede4b3ea118dc3a5ce5 [0,0,0,1,0,0|3,0,0]=4 1374 B11R1.135 CCCN1CCCC(=O)CC1 5d78a27b1115d294c02accd204f79118 [0,0,0,1,0,0|3,0,0]=4 1375 B11R1.154 CC1CC(C1)CNCC(=O)O d3139215aa66f818e5323ca9ce866f0e [0,0,0,1,0,0|2,0,1]=4 1376 B11R1.154 CC1CC(C1)COCC(=O)O 9ce845a05b390ab993e463fcdaf015e8 [0,0,0,1,0,0|2,0,1]=4 1377 B11R1.154 CC1CC(C1)OCCC(=O)O 7882b013c44ba84815b84cca3b07e2f4 [0,0,0,1,0,0|2,0,1]=4 1378 B11R1.154 C[C@H]1C[C@@H](C1)COCC(=O)O db532a939327caf51a3e4e2529d3301d [0,0,0,1,0,0|2,0,1]=4 1379 B11R1.154 O=C(O)CCCN1CC(C1)O 7a1e345834398b26c8a08e1dbfb8e9c4 [0,0,0,1,0,0|3,0,0]=4 1380 B11R1.157 C=C(Br)CN1CCCC(=O)C1 b7dc92f91ea4d96bfb2a88c2d9f1a971 [0,0,0,1,0,0|3,0,0]=4 1381 B11R1.157 C=C(C)CN1CCCC(=O)C1 a0875383f680ec6fb44657f19e168c3f [0,0,0,1,0,0|3,0,0]=4 1382 B11R1.157 C=C(Cl)CN1CCCC(=O)C1 b7e98f234df033c6160bfd002731875c [0,0,0,1,0,0|3,0,0]=4 1383 B11R1.157 C=C(F)CN1CCCC(=O)C1 6f60df84c50af6cb7f37e5f30208e6aa [0,0,0,1,0,0|3,0,0]=4 1384 B11R1.157 CC(=O)NC1CCNC(=O)C1 cece63cd91f3a0f182e8abb2629eef3c [0,0,0,1,0,0|3,0,0]=4 1385 B11R1.157 CC(=O)N[C@@H]1CCNC(=O)C1 335e4eba9eddc1fce1127cb46b756678 [0,0,0,1,0,0|3,0,0]=4 1386 B11R1.157 CC(=O)N[C@H]1CCNC(=O)C1 e9a4f3ae19f6761c4d77395203a68b16 [0,0,0,1,0,0|3,0,0]=4 1387 B11R1.157 CC(O)CN1CCCC(=O)C1 917247992a9e78f9855dc807edfc4687 [0,0,0,1,0,0|2,0,1]=4 1388 B11R1.157 CC1CCCN(C1)CC(=O)O d4ebd15284a303f50f85ba6b4d90a793 [0,0,0,1,0,0|2,0,1]=4 1389 B11R1.157 C[C@@H]1CCCN(C1)CC(=O)O 870d6379068dbf78f34bb30d36be26d2 [0,0,0,1,0,0|2,0,1]=4 1390 B11R1.157 C[C@H](O)CN1CCCC(=O)C1 58da09957614f4f4beda4c0c527016c6 [0,0,0,1,0,0|2,0,1]=4 1391 B11R1.157 C[C@H]1CCCN(C1)CC(=O)O 4c02b5b686cf18ffb51df551db136b7c [0,0,0,1,0,0|2,0,1]=4 1392 B11R1.157 NC(=O)CN1CCCC(=O)C1 e8a44bb6fff6749faa03fceaa6cbf68b [0,0,0,1,0,0|2,0,0]=3 1393 B11R1.157 NC(=O)CN1CCNC(=O)C1 6fd0c748d1a7da1793efa9a522299813 [0,0,0,1,0,0|3,0,0]=4 1394 B11R1.157 NC(=O)CN1CCOC(=O)C1 9348b86aa48f3cd8f8c18bb101bc6258 [0,0,0,1,0,0|3,0,0]=4 1395 B11R1.157 O=C(O)CN1CCCC(=O)C1 8045d226811d2aa76499a0cc0d16ccf5 [0,0,0,1,0,0|1,0,0]=2 1396 B11R1.157 O=C(O)CN1CCCC(C1)F df26d481d723ae859133b1dd45263f8b [0,0,0,1,0,0|2,0,1]=4 1397 B11R1.157 O=C(O)CN1CCCC(C1)O 8a9081ae81f569ea0a4f01bce3eedfa1 [0,0,0,1,0,0|1,0,2]=4 1398 B11R1.157 O=C(O)CN1CCC[C@@H](C1)F 3877c0bc29adfde3b5f9efc3b6d550a4 [0,0,0,1,0,0|2,0,1]=4 1399 B11R1.157 O=C(O)CN1CCC[C@@H](C1)O ff18856f3d9fccfbb76f3f7e4a4cf5e0 [0,0,0,1,0,0|1,0,2]=4 1400 B11R1.157 O=C(O)CN1CCC[C@H](C1)F af0bc4e19c0db595d39589bdbc4a3cc0 [0,0,0,1,0,0|2,0,1]=4 1401 B11R1.157 O=C(O)CN1CCC[C@H](C1)O 50428b9f90feb50aec1d3ab69a75f460 [0,0,0,1,0,0|1,0,2]=4 1402 B11R1.157 O=C(O)CN1CCNC(=O)C1 1bc7ad29765c3fb5d06da9cef003ce96 [0,0,0,1,0,0|2,0,0]=3 1403 B11R1.157 O=C(O)CN1CCOC(=O)C1 327b77aada9a19033a64d952fab31403 [0,0,0,1,0,0|2,0,0]=3 1404 B11R1.157 O=C1CCCN(C1)C[N+](=O)[O-] e7eaf888c8d0f74dc7ee7832abd7da7a [0,0,0,1,0,0|2,0,1]=4 1405 B11R1.172 CC(=O)CNCC1=CCCC1 0f453436c3e09aa3d4648377dfb3b37b [0,0,0,1,0,0|3,0,0]=4 1406 B11R1.172 NC(=O)CNCC1=CCCC1 bf22c77b5f84dd531c4bd4d77213254d [0,0,0,1,0,0|3,0,0]=4 1407 B11R1.172 O=C(O)CCCN1CCSC1 6e6fe64de3c37ef4f49fbe65b0f984b5 [0,0,0,1,0,0|3,0,0]=4 1408 B11R1.172 O=C(O)CCNC1CCCC1 cc87dbfa2423c2d2dc1bbd7e31f32e66 [0,0,0,1,0,0|2,0,1]=4 1409 B11R1.172 O=C(O)CCOC1CCCC1 a78608f01bf2d90213806fa026bc85f0 [0,0,0,1,0,0|2,0,1]=4 1410 B11R1.172 O=C(O)CCOC1CCCO1 313411f21e8befe79033da76bc3cd22e [0,0,0,1,0,0|1,0,2]=4 1411 B11R1.172 O=C(O)CNCC1CCCC1 a418b6153ed46a2a6f91546a4f64b56b [0,0,0,1,0,0|2,0,1]=4 1412 B11R1.172 O=C(O)CNCC1CCCO1 ed95df039766cd0b443288b0d49fcc55 [0,0,0,1,0,0|1,0,2]=4 1413 B11R1.172 O=C(O)CNC[C@@H]1CCCO1 ac3327b32b8483564ff7dcddc1162c1c [0,0,0,1,0,0|1,0,2]=4 1414 B11R1.172 O=C(O)CNC[C@H]1CCCO1 83b5533196926e02a8eabf9074faf9bb [0,0,0,1,0,0|1,0,2]=4 1415 B11R1.172 O=C(O)COCC1CCCC1 1a12f19c6aab26de4be4dc52bf7172ec [0,0,0,1,0,0|2,0,1]=4 1416 B11R1.172 O=C(O)COCC1CCCO1 60f7f5fc7516ca8e919f9c571b279434 [0,0,0,1,0,0|1,0,2]=4 1417 B11R1.172 O=C(O)COCC1CCCS1 d30770f71ca4fd8ba75025e47026df5a [0,0,0,1,0,0|1,1,1]=4 1418 B11R1.172 O=C(O)COCN1CCCC1 56f37ea3411363410de6cf53e5955d8f [0,0,0,1,0,0|3,0,0]=4 1419 B11R1.172 O=C(O)COC[C@@H]1CCCO1 363d7d055425870722a7d41976be2cde [0,0,0,1,0,0|1,0,2]=4 1420 B11R1.172 O=C(O)COC[C@H]1CCCO1 c883797efa974dbe4ef25cc3eb893b66 [0,0,0,1,0,0|1,0,2]=4 1421 B11R1.201 CCCC(=O)CN1CC(C1)O ec5adc55c9fac82d19a7a370c4a509ec [0,0,0,1,0,0|2,0,1]=4 1422 B11R1.201 CCCC(=O)NC1CC(C1)O c04d95e4e38d944deaaf8eb8314a6814 [0,0,0,1,0,0|2,0,1]=4 1423 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O b7c7f769fc0259dbcf52be1475a158c6 [0,0,0,1,0,0|2,0,1]=4 1424 B11R1.201 CCCC(=O)N[C@H]1C[C@H](C1)O 1a7d1e1fb58f5988bb18e1e72b605b77 [0,0,0,1,0,0|2,0,1]=4 1425 B11R1.201 CCCC(=S)OC1CC(=O)C1 b9286336862f6041cf2d17cc09756802 [0,0,0,1,0,0|2,1,0]=4 1426 B11R1.201 CCCN(C)CC1CC(=O)C1 cd37998699135c4e3228cf129e545c8a [0,0,0,1,0,0|3,0,0]=4 1427 B11R1.201 CCCN(C)CC1CC(=O)N1 883ccdc027fa03b073e0fb5ae569788c [0,0,0,1,0,0|3,0,0]=4 1428 B11R1.201 CCCN(C)CC1CC(=O)O1 8f89f6e9ab78d435c5a0908a418b3fc6 [0,0,0,1,0,0|2,0,0]=3 1429 B11R1.201 CN(CCF)CC1CC(=O)O1 45c5ddcebf32a0749dcddf92cc6c6914 [0,0,0,1,0,0|3,0,0]=4 1430 B11R1.201 CN(CCO)CC1CC(=O)O1 6e1591e303cb6ad28a8ad8abbe1d6307 [0,0,0,1,0,0|3,0,0]=4 1431 B11R1.565 CC(=O)N1CCCC(=O)CC1 8f3fded55f8e5ac7cfc27183ee959b0f [0,0,0,1,0,0|2,0,0]=3 1432 B11R1.565 CC(=O)N1CCNC(=O)CC1 3caf9474f279a89c74ed6e955a00f1fd [0,0,0,1,0,0|3,0,0]=4 1433 B11R1.645 C[C@@H]1C[C@@H](CN1CC(=O)O)F ebbd0d1de71861dad3967fd9a3a5d96a [0,0,0,1,0,0|2,0,1]=4 1434 B11R1.645 C[C@@H]1C[C@@H](CN1CC(=O)O)O 3fe4b39a5fca8a98740f08829eab5e27 [0,0,0,1,0,0|1,0,2]=4 1435 B11R1.645 C[C@@H]1C[C@H](CN1CC(=O)O)F 3ff03b1e21d5753e82033b5998f0721f [0,0,0,1,0,0|2,0,1]=4 1436 B11R1.645 C[C@@H]1C[C@H](CN1CC(=O)O)O 9a0384689eb4114a280e838d1b6c063d [0,0,0,1,0,0|1,0,2]=4 1437 B11R1.645 C[C@H]1C[C@@H](CN1CC(=O)O)F 6f6d8a99b15989539726576089efb8fd [0,0,0,1,0,0|2,0,1]=4 1438 B11R1.645 C[C@H]1C[C@@H](CN1CC(=O)O)O cfe427217c99af61255cba0dbb6110c9 [0,0,0,1,0,0|1,0,2]=4 1439 B11R1.645 C[C@H]1C[C@H](CN1CC(=O)O)F 2e149e53b9d51510f8b46e666f489f9a [0,0,0,1,0,0|2,0,1]=4 1440 B11R1.645 C[C@H]1C[C@H](CN1CC(=O)O)O ae29a23d23808038cb09266e20912ef7 [0,0,0,1,0,0|1,0,2]=4 1441 B11R1.645 O=C(O)CN1CC(=O)SC1S 0f2e899580f367bbc499f3e68c34c2ca [0,0,0,1,0,0|3,0,0]=4 1442 B11R1.674 CC1CC(N1CCC(=O)O)C 31e818f90f08709d1cc7e722f8b7422f [0,0,0,1,0,0|2,0,1]=4 1443 B11R1.674 C[C@@H]1C[C@@H](N1CCC(=O)O)C 3371b6239e30850aac02963beccde582 [0,0,0,1,0,0|2,0,1]=4 1444 B11R1.674 C[C@@H]1C[C@H](N1CCC(=O)O)C 51bc46924c83c8b936cce095af59d385 [0,0,0,1,0,0|2,0,1]=4 1445 B11R1.674 C[C@H]1C[C@@H](N1CCC(=O)O)C ab2362f5964fa7df05063c9a38c1368a [0,0,0,1,0,0|2,0,1]=4 1446 B11R1.720 C=C(Br)CNCC(=O)C1CC1 5860c462d944375d993defa9ab010384 [0,0,0,1,0,0|3,0,0]=4 1447 B11R1.720 C=C(Br)COCC(=O)C1CC1 43f5225317e7fc008810d6aed68c1cff [0,0,0,1,0,0|3,0,0]=4 1448 B11R1.720 C=C(C)CNCC(=O)C1CC1 ae8e569d9bfbf902bb1dd3a084afa75e [0,0,0,1,0,0|3,0,0]=4 1449 B11R1.720 C=C(C)COCC(=O)C1CC1 29674488176b896e8ac56c692d23d1fc [0,0,0,1,0,0|3,0,0]=4 1450 B11R1.720 C=C(Cl)COCC(=O)C1CC1 73408c98816bcf67fa7f45a3152fa1d1 [0,0,0,1,0,0|3,0,0]=4 1451 B11R1.720 C=C(F)COCC(=O)C1CC1 f186d827ea6778911bf78328959f9893 [0,0,0,1,0,0|3,0,0]=4 1452 B11R1.720 C=C(I)COCC(=O)C1CC1 c384494a55d0960fdcbd890b063a30e7 [0,0,0,1,0,0|3,0,0]=4 1453 B11R1.720 CC(=O)CCCN(C)C1CC1 65b8255d0435ac586f31b7bb30cc685e [0,0,0,1,0,0|3,0,0]=4 1454 B11R1.720 CC(=O)CNCC(=O)C1CC1 47fbe476ec9294b8e976820be769bb07 [0,0,0,1,0,0|2,0,0]=3 1455 B11R1.720 CC(=O)COCC(=O)C1CC1 687b4b8157cb9f7ff8f826fc27e037fb [0,0,0,1,0,0|2,0,0]=3 1456 B11R1.720 CC(O)CNCC(=O)C1CC1 984740d4fc980399a5e3a8fafc60520b [0,0,0,1,0,0|2,0,1]=4 1457 B11R1.720 CC(OCCC(=O)O)C1CC1 33505e83478f5e348bf7129f02655238 [0,0,0,1,0,0|2,0,1]=4 1458 B11R1.720 CN(CCCC(=O)N)C1CC1 41c8f99d36d2d8180758ea453088c0b2 [0,0,0,1,0,0|3,0,0]=4 1459 B11R1.720 C[C@@H](NCCC(=O)O)C1CC1 c5d3c1b19ef81fc64ab197827b964024 [0,0,0,1,0,0|2,0,1]=4 1460 B11R1.720 C[C@@H](O)CNCC(=O)C1CC1 35aa70045f98b0dc3540ac0150e27dd9 [0,0,0,1,0,0|2,0,1]=4 1461 B11R1.720 C[C@@H](OCCC(=O)O)C1CC1 676e1027aa60186be8dd88c48a76d29f [0,0,0,1,0,0|2,0,1]=4 1462 B11R1.720 C[C@H](NCCC(=O)O)C1CC1 195e69acb537cb8f7c8ffafff5763cd5 [0,0,0,1,0,0|2,0,1]=4 1463 B11R1.720 C[C@H](O)CNCC(=O)C1CC1 cd9eeab0bc7acfb13f59c6c8bc0b2af4 [0,0,0,1,0,0|2,0,1]=4 1464 B11R1.720 C[C@H](OCCC(=O)O)C1CC1 92750c09faaab1a73fb2bf0235a09328 [0,0,0,1,0,0|2,0,1]=4 1465 B11R1.720 NC(=O)CNCC(=O)C1CC1 60003ae0f48b161e8bdbf5a90d294b06 [0,0,0,1,0,0|2,0,0]=3 1466 B11R1.720 NC(=O)COCC(=O)C1CC1 f4efcaad38c8ce4c783b096cb76f6b53 [0,0,0,1,0,0|2,0,0]=3 1467 B11R1.720 NC(=S)COCC(=O)C1CC1 ba228032adc6d4e7bdc7365dceba9f41 [0,0,0,1,0,0|2,1,0]=4 1468 B11R1.720 O=C(COCS(=O)O)C1CC1 e27cf7a03668215675df481d809cb2a7 [0,0,0,1,0,0|2,0,0]=3 1469 B11R1.720 O=C(COC[N+](=O)[O-])C1CC1 10ab4375cf1ed6273b8ea2f69d7b66c5 [0,0,0,1,0,0|2,0,1]=4 1470 B11R1.720 O=C(O)CNCC(=O)C1CC1 e75f66afd8f978ea08de20d84059d7a8 [0,0,0,1,0,0|1,0,0]=2 1471 B11R1.720 O=C(O)CNCC(O)C1CC1 c93323595de77df788589946c3295483 [0,0,0,1,0,0|1,0,2]=4 1472 B11R1.720 O=C(O)COCC(=O)C1CC1 fcf97fb12631c600e2cf456934606fdd [0,0,0,1,0,0|1,0,0]=2 1473 B11R1.816 CCCN(C)[C@@H]1C[C@@H]1C(=O)O 16e896b205fc27d28538743a13935c00 [0,0,0,1,0,0|2,0,0]=3 1474 B11R1.816 CCCN(C)[C@H]1C[C@@H]1C(=O)O 0abcd08ef6da21c364f7b485af160b2b [0,0,0,1,0,0|2,0,0]=3 1475 B11R1.816 CCCN(C)[C@H]1C[C@H]1C(=O)O f42a3fe1cdbbbe8cd3d3012dc6a19457 [0,0,0,1,0,0|2,0,0]=3 1476 B11R1.816 CN(CCF)[C@@H]1C[C@@H]1C(=O)O 6da76725b4ffbc260ed5f2de8215932e [0,0,0,1,0,0|3,0,0]=4 1477 B11R1.816 CN(CCF)[C@H]1C[C@@H]1C(=O)O 0261d8ac73143564f592544d1b9ead9f [0,0,0,1,0,0|3,0,0]=4 1478 B11R1.816 CN(CCF)[C@H]1C[C@H]1C(=O)O f46d9f39f7d9aca0d083275e7f13af38 [0,0,0,1,0,0|3,0,0]=4 1479 B11R1.816 CN(CCO)[C@@H]1C[C@@H]1C(=O)O e67304f3c886d915e2e2319e731c2813 [0,0,0,1,0,0|3,0,0]=4 1480 B11R1.816 CN(CCO)[C@H]1C[C@@H]1C(=O)O 6099383670ff1a07276b45ffe0d58b8e [0,0,0,1,0,0|3,0,0]=4 1481 B11R1.816 CN(CCO)[C@H]1C[C@H]1C(=O)O 9596a354d0f3489e7fee2f83b842c6e9 [0,0,0,1,0,0|3,0,0]=4 1482 B11R1.924 CC1(CCC1)CNCC(=O)O e44c0e0815156ad54f43f1d2c8779904 [0,0,0,1,0,0|2,0,1]=4 1483 B11R1.924 CC1(CCC1)COCC(=O)O d8ccff4908cf2c1192bc97ce562b7ff1 [0,0,0,1,0,0|2,0,1]=4 1484 B11R1.924 CC1(CCC1)NCCC(=O)O 905894510b7311ff9aaa85e812c06a64 [0,0,0,1,0,0|2,0,1]=4 1485 B11R1.924 O=C(O)CNCC1(CCC1)O ff89372bcab915261826ba15aad63472 [0,0,0,1,0,0|1,0,2]=4 1486 B11R1.924 O=C(O)COCC1(CCC1)F 0358235fd0e452fdb2364dbae5ca7303 [0,0,0,1,0,0|2,0,1]=4 1487 B9R0.48 C=C(Br)CNC(=O)CCC 5e61ef8e805b62239237c84d1dc5b668 [0,0,0,0,1,0|3,0,0]=4 1488 B9R0.48 C=C(C)CNC(=O)CCC 8798d18f5f118779f2ebf2a6aa1a07ee [0,0,0,0,1,0|3,0,0]=4 1489 B9R0.48 CC(=O)CNC(=O)CCF d107193ce657c88df2652ef9baeb288c [0,0,0,0,1,0|3,0,0]=4 1490 B9R0.48 CC(=O)CNC(=O)CCO c299cd7b6e99612f6d546a77c82b470b [0,0,0,0,1,0|3,0,0]=4 1491 B9R0.48 CC(=O)CNC(=O)CCS 57b6b0d2d091bf19026d70091c345536 [0,0,0,0,1,0|3,0,0]=4 1492 B9R0.48 CCCC(=O)NCC(=O)C 2da9b0181737be2a6f0a306a2b6bdda4 [0,0,0,0,1,0|2,0,0]=3 1493 B9R0.48 CCCC(=O)NCC(=O)N 5610a82535abef121600219256c9e7bf [0,0,0,0,1,0|2,0,0]=3 1494 B9R0.48 CCCC(=O)NCC(C)O ba53379307f7ae08a2b5b3adca0ac823 [0,0,0,0,1,0|2,0,1]=4 1495 B9R0.48 CCCC(=O)NC[C@@H](C)O 2eea508114803a331a902914666075a1 [0,0,0,0,1,0|2,0,1]=4 1496 B9R0.48 CCCC(=O)NC[C@H](C)O b4f7691f264345400cd9717008b17039 [0,0,0,0,1,0|2,0,1]=4 1497 B9R0.48 CCCC(=S)OCC(=O)N 0b6465c79ee1be21a9602ef32757ede7 [0,0,0,0,1,0|2,1,0]=4 1498 B9R0.48 CCCC(=S)OCC(=O)O 1c62169da41f2cb2acdc293fd6559f2d [0,0,0,0,1,0|1,1,0]=3 1499 B9R0.48 CCCC(C)NCC(=O)O cc1e9c4996e6fef62cc1269e902e2107 [0,0,0,0,1,0|2,0,1]=4 1500 B9R0.48 CCCC(C)OCC(=O)O 841e752dc9ac365809a80143d547b4ea [0,0,0,0,1,0|2,0,1]=4 1501 B9R0.48 CCCN(C)CCC(=O)C b29483cd50605788c7eef5f63dcb49c2 [0,0,0,0,1,0|3,0,0]=4 1502 B9R0.48 CCCN(C)CCC(=O)N df69e561042543f03748d6be46a7cd9c [0,0,0,0,1,0|3,0,0]=4 1503 B9R0.48 CCCN(C)CCC(=O)O c326725f005578bca676b9f1f6f13638 [0,0,0,0,1,0|2,0,0]=3 1504 B9R0.48 CCC[C@@H](C)OCC(=O)O 51c501112f8d973994eff73221ed5619 [0,0,0,0,1,0|2,0,1]=4 1505 B9R0.48 CCC[C@H](C)NCC(=O)O e4aa324610e7a29c03d24a187e7b9bea [0,0,0,0,1,0|2,0,1]=4 1506 B9R0.48 CCC[C@H](C)OCC(=O)O 21190ebbab7da0abc6514346eed4dcf5 [0,0,0,0,1,0|2,0,1]=4 1507 B9R0.48 CCNC(=O)CNC(=O)C 57792c8153adb6e80259374ddd295748 [0,0,0,0,1,0|3,0,0]=4 1508 B9R0.48 CCNC(C)CCC(=O)O 7dbe459581ff5b66cbefd9a1d696ad43 [0,0,0,0,1,0|2,0,1]=4 1509 B9R0.48 CCN[C@@H](C)CCC(=O)O c2d632f7e33174af2c524d9023ca075b [0,0,0,0,1,0|2,0,1]=4 1510 B9R0.48 CCOC(=O)CNC(=O)C eefea8b66cbae53eb0645dbc6dff51ca [0,0,0,0,1,0|3,0,0]=4 1511 B9R0.48 CCOC(C)CCC(=O)O 31641a6cc61a92f98818e768ef37979d [0,0,0,0,1,0|2,0,1]=4 1512 B9R0.48 CN(CCF)CCC(=O)O 98b30d2a6b798aa5402f2613938994ad [0,0,0,0,1,0|3,0,0]=4 1513 B9R0.48 CN(CCO)CCC(=O)O dff5f325047c0f022e242f8ab09a0166 [0,0,0,0,1,0|3,0,0]=4 1514 B9R0.48 CN(CCS)CCC(=O)O 834e8dabd4decc6fedd4ae2dee1a1dfb [0,0,0,0,1,0|3,0,0]=4 1515 B9R0.48 COCC(=O)NCC(=O)C 9366c1fb376d52d38cd3913860d123e1 [0,0,0,0,1,0|3,0,0]=4 1516 B9R0.48 COCC(=O)NCC(=O)N 5cc19da597d28cd2bc7d7df00c52121b [0,0,0,0,1,0|3,0,0]=4 1517 B9R0.48 COCN(C)CCC(=O)O 0303bd9b3e27ba66031eea0a93003c39 [0,0,0,0,1,0|3,0,0]=4 1518 B9R0.48 CSCC(=O)NCC(=O)C 7b8c1ea6125df084feb9a28e679bf8c5 [0,0,0,0,1,0|3,0,0]=4 1519 B9R0.48 CSCC(=O)NCC(=O)N 77b41fe33a5d4e16602364fcd119e4e5 [0,0,0,0,1,0|3,0,0]=4 1520 B9R0.48 CSCN(C)CCC(=O)O 014d9e48ffe569c3e580b87ffc15fcd1 [0,0,0,0,1,0|3,0,0]=4 1521 B9R0.48 NC(=O)CNC(=O)CCF 2c39fb3b37725030134b2457d79fa36d [0,0,0,0,1,0|3,0,0]=4 1522 B9R0.48 NC(=O)CNC(=O)CCO e2cc3d05dd0d8a3f598fbe646a9bd246 [0,0,0,0,1,0|3,0,0]=4 1523 B9R0.48 NC(=O)CNC(=O)CCS bcaf0389aa332cf3b05d7dab40146212 [0,0,0,0,1,0|3,0,0]=4 1524 B11R0.176 C#CCC(=O)NCCCC(=O)N c68e76cd945f924f4221753d9e447a08 [0,0,0,0,0,1|1,0,2]=4 1525 B11R0.176 C/C=C/C(=O)NCCCC(=O)N 55bc0a2d90c305f76a3af22a2ad49e45 [0,0,0,0,0,1|1,0,2]=4 1526 B11R0.176 C=C(Br)CCOCC(=O)CCC 0d042f20227c1eae142691da887567ab [0,0,0,0,0,1|2,0,0]=3 1527 B11R0.176 C=C(Br)CCOCC(=O)COC 6bafc1e116963727774a653ebc1487c0 [0,0,0,0,0,1|3,0,0]=4 1528 B11R0.176 C=C(Br)CCOCC(=O)NCC 502d2e1af802e636dbda1aa49cc688b3 [0,0,0,0,0,1|3,0,0]=4 1529 B11R0.176 C=C(Br)CCOCC(=O)OCC 38a5cf1812a3bb86c98ce5cc915d9650 [0,0,0,0,0,1|3,0,0]=4 1530 B11R0.176 C=C(Br)CNCCC(=O)NCC cdb07b61091302b00e209e7afec0d9d0 [0,0,0,0,0,1|3,0,0]=4 1531 B11R0.176 C=C(Br)CNCCC(=O)OCC 22654122d5647bdcb3fa82e1728523f3 [0,0,0,0,0,1|3,0,0]=4 1532 B11R0.176 C=C(Br)CNCOC(=O)CCC 78597947459243f3b288902de7e3b312 [0,0,0,0,0,1|3,0,0]=4 1533 B11R0.176 C=C(Br)COCCC(=O)NCC 9b7ca74800e2040e4b2e8f27e8d377e9 [0,0,0,0,0,1|3,0,0]=4 1534 B11R0.176 C=C(Br)COCCC(=O)OCC 2f3d681cfba64ecb2f8ef6f750c0de4e [0,0,0,0,0,1|3,0,0]=4 1535 B11R0.176 C=C(Br)COCOC(=O)CCC 97ebe49d30429fa3e4416d94d6f4291d [0,0,0,0,0,1|3,0,0]=4 1536 B11R0.176 C=C(C)CCCOC(=S)CCC 06f0d2133543f9c78504c69a8dcd99b6 [0,0,0,0,0,1|2,1,0]=4 1537 B11R0.176 C=C(C)CCNCC(=O)CCC 6a606e2e8db15771fc2f5abcf75b1f37 [0,0,0,0,0,1|2,0,0]=3 1538 B11R0.176 C=C(C)CCNCC(=O)COC 406f9be5d94c791aef62e116aa690e75 [0,0,0,0,0,1|3,0,0]=4 1539 B11R0.176 C=C(C)CCNCC(=O)NCC 678f81e35814250ee3660fb12c56c842 [0,0,0,0,0,1|3,0,0]=4 1540 B11R0.176 C=C(C)CCNCC(=O)OCC 5dea13aa4e036295abbcb7ca1234339d [0,0,0,0,0,1|3,0,0]=4 1541 B11R0.176 C=C(C)CCOCC(=O)CCC 9c44c524c3a3249e5de2ed263344d68f [0,0,0,0,0,1|2,0,0]=3 1542 B11R0.176 C=C(C)CCOCC(=O)NCC 5b74072f07b6969e0381e78bf6ccfc78 [0,0,0,0,0,1|3,0,0]=4 1543 B11R0.176 C=C(C)CCOCC(=O)OCC 660e815b6c9b770398b6d1691d85d844 [0,0,0,0,0,1|3,0,0]=4 1544 B11R0.176 C=C(C)CNCCC(=O)NCC 800ed287fccedf10fd86479be4133c43 [0,0,0,0,0,1|3,0,0]=4 1545 B11R0.176 C=C(C)CNCCC(=O)OCC ff0dc26c609b7d102ad9bc8880d12ba9 [0,0,0,0,0,1|3,0,0]=4 1546 B11R0.176 C=C(C)CNCOC(=O)CCC 2c571cde0834552be7ace0df261bed5e [0,0,0,0,0,1|3,0,0]=4 1547 B11R0.176 C=C(C)COCCC(=O)NCC 082b11fdbac6cf0433d7a1716211bc61 [0,0,0,0,0,1|3,0,0]=4 1548 B11R0.176 C=C(C)COCCC(=O)OCC 2de3aaa706d2c2cda28d584537623330 [0,0,0,0,0,1|3,0,0]=4 1549 B11R0.176 C=C(C)COCOC(=O)CCC 703e5b52959455f5f84dfadfe1e3f05c [0,0,0,0,0,1|3,0,0]=4 1550 B11R0.176 C=C(Cl)CNCCC(=O)OCC 7d07f83b74bb5d73730c85209efafe8c [0,0,0,0,0,1|3,0,0]=4 1551 B11R0.176 C=C(Cl)COCCC(=O)NCC b42f9a967053198b2c08d3e8722dafe4 [0,0,0,0,0,1|3,0,0]=4 1552 B11R0.176 C=C(Cl)COCCC(=O)OCC 64c86d7c1e8c0fe445a1ea40fcc2a9e8 [0,0,0,0,0,1|3,0,0]=4 1553 B11R0.176 C=C(Cl)COCOC(=O)CCC 69b4f9e8cd129dbf2e853d218508631f [0,0,0,0,0,1|3,0,0]=4 1554 B11R0.176 C=C(F)CNCCC(=O)OCC b848cc6b4d63f48030387680e1c5e0b0 [0,0,0,0,0,1|3,0,0]=4 1555 B11R0.176 C=C(F)COCCC(=O)NCC 50f29bbe4b04b96cea00350423e555b4 [0,0,0,0,0,1|3,0,0]=4 1556 B11R0.176 C=C(F)COCCC(=O)OCC 401326f817402856e20509ddd29878d8 [0,0,0,0,0,1|3,0,0]=4 1557 B11R0.176 C=C(I)COCCC(=O)NCC 504834697d36451e0638d0a6490b4fb0 [0,0,0,0,0,1|3,0,0]=4 1558 B11R0.176 C=C(I)COCOC(=O)CCC eae6b477397ffe4e05a8a569deaf1f70 [0,0,0,0,0,1|3,0,0]=4 1559 B11R0.176 C=CCC(=O)NCCCC(=O)N 28376500ef7f99563ce70dd0acf31e1e [0,0,0,0,0,1|1,0,2]=4 1560 B11R0.176 C=COC(=O)CNCCC(=O)O 7abce1bb5c02c6a28dd7c59b40ac7593 [0,0,0,0,0,1|1,0,2]=4 1561 B11R0.176 C=COC(=O)COCCC(=O)O 44cb09c56712458e55c68a80c856d219 [0,0,0,0,0,1|1,0,2]=4 1562 B11R0.176 CC#CC(=O)NCCCC(=O)N a90f20fb4fd0b464e51d2e857a4b4680 [0,0,0,0,0,1|1,0,2]=4 1563 B11R0.176 CC(=O)NCCNC(=O)CCF 6799ccb839eec895bd5400a0340f1acd [0,0,0,0,0,1|3,0,0]=4 1564 B11R0.176 CC(=O)NCCNC(=O)CCO 2b60aa6dd408b899d25a794292dcc14f [0,0,0,0,0,1|3,0,0]=4 1565 B11R0.176 CC(=O)NCCNC(=O)CCS ca771f7b4029932a2170906ece789f73 [0,0,0,0,0,1|3,0,0]=4 1566 B11R0.176 CC(CCO)CNCCC(=O)O 1ab39c4fac67489d41b1d4f91d97f4c7 [0,0,0,0,0,1|2,0,1]=4 1567 B11R0.176 CC(CCO)NCCCC(=O)O 2ab90a0be5ab9a8c6a31ff20f85d9888 [0,0,0,0,0,1|2,0,1]=4 1568 B11R0.176 CCCC(=O)CNCC=C(C)C 8ab97d76a02b4d4571871d2ce955ad30 [0,0,0,0,0,1|2,0,1]=4 1569 B11R0.176 CCCC(=O)CNCCC(=O)N db93ff76a4eb2e136d1f26f5b9e59e29 [0,0,0,0,0,1|1,0,0]=2 1570 B11R0.176 CCCC(=O)CNCCC(=O)O 6fc5bffc1a7bceaab37e77d713aebb3a [0,0,0,0,0,1|0,0,0]=1 1571 B11R0.176 CCCC(=O)CNCCC(=S)N f39bd99f5308d2b241545a2de8f560aa [0,0,0,0,0,1|1,1,0]=3 1572 B11R0.176 CCCC(=O)CNCCC(C)C 311c7bb78e0d041c14f5cbc9da42948d [0,0,0,0,0,1|2,0,1]=4 1573 B11R0.176 CCCC(=O)CNCCC(C)O b72f56b2f314d16d6202ad997932347b [0,0,0,0,0,1|1,0,1]=3 1574 B11R0.176 CCCC(=O)CNCCC(F)F 3423cf7e71dd8fe3354aa8a5c92861c0 [0,0,0,0,0,1|2,0,1]=4 1575 B11R0.176 CCCC(=O)CNCCN(C)C 00240278f85182e7e2684d63d9e7538c [0,0,0,0,0,1|3,0,0]=4 1576 B11R0.176 CCCC(=O)CNCCS(=O)C 18aed2c7aaa0ee74e25c6bd637749a42 [0,0,0,0,0,1|2,0,0]=3 1577 B11R0.176 CCCC(=O)CNCCS(=O)O f4b7923f85e7ffe1dff9810a9b3a2cba [0,0,0,0,0,1|1,0,0]=2 1578 B11R0.176 CCCC(=O)CNCC[C@@H](C)O f4aa6314f056fc60d53d32325c6560d9 [0,0,0,0,0,1|1,0,1]=3 1579 B11R0.176 CCCC(=O)CNCC[C@H](C)O 4eb7668ba9255a3390da70d90c5df24b [0,0,0,0,0,1|1,0,1]=3 1580 B11R0.176 CCCC(=O)COC/C=C(/C)\Cl 772a3befa2bd492825d2151639a613df [0,0,0,0,0,1|2,0,1]=4 1581 B11R0.176 CCCC(=O)COC/C=C(/C)\I 583bc40c01ae96ff62a33eb87f03f4e2 [0,0,0,0,0,1|2,0,1]=4 1582 B11R0.176 CCCC(=O)COCC=C(C)C e6cb437c8d0e95c570cab34b02b069e0 [0,0,0,0,0,1|2,0,1]=4 1583 B11R0.176 CCCC(=O)COCC=C(C)I 0583d230250676c9fc3cc8c62b576b73 [0,0,0,0,0,1|2,0,1]=4 1584 B11R0.176 CCCC(=O)COCC=C(Cl)Cl c8cf12f41bc19beb2a215f0ede0a5cb1 [0,0,0,0,0,1|2,0,1]=4 1585 B11R0.176 CCCC(=O)COCCC(=O)C 30d1f070029befa3b0666b78064dd252 [0,0,0,0,0,1|1,0,0]=2 1586 B11R0.176 CCCC(=O)COCCC(=O)N 2ff9311c22dacffbc1f1917183bc0253 [0,0,0,0,0,1|1,0,0]=2 1587 B11R0.176 CCCC(=O)COCCC(=O)O 70af2b31f7f8df2828edd15acf112909 [0,0,0,0,0,1|0,0,0]=1 1588 B11R0.176 CCCC(=O)COCCC(C)C fafcf3956ddfaf9fda8bcce367641fd0 [0,0,0,0,0,1|2,0,1]=4 1589 B11R0.176 CCCC(=O)COCCC(F)F dcd99da61cae5a75e55c884aa36902c0 [0,0,0,0,0,1|2,0,1]=4 1590 B11R0.176 CCCC(=O)COCCN(C)C 629ddddc14b4b1ccea1cb881ae7d0e74 [0,0,0,0,0,1|3,0,0]=4 1591 B11R0.176 CCCC(=O)COCCS(=O)C 5672df53a9563d296bdc63de60ead129 [0,0,0,0,0,1|2,0,0]=3 1592 B11R0.176 CCCC(=O)COCC[N+](=O)[O-] 62d5f2c536e6755460cef0dcef54b806 [0,0,0,0,0,1|1,0,1]=3 1593 B11R0.176 CCCC(=O)COCNC(=O)C 255c3c644b4ac96e934b38e676fb189b [0,0,0,0,0,1|2,0,0]=3 1594 B11R0.176 CCCC(=O)COCNC(=O)N ca45fe0d2782b3d47aafa42e69cb0130 [0,0,0,0,0,1|2,0,0]=3 1595 B11R0.176 CCCC(=O)NCC#CC(=O)N 59329b02b8b5d3eb305bcaefad759eaa [0,0,0,0,0,1|1,0,2]=4 1596 B11R0.176 CCCC(=O)NCCCC(=O)N 3691ca77bf51910cfd79cffbf5b43d8e [0,0,0,0,0,1|1,0,0]=2 1597 B11R0.176 CCCC(=O)NCCCC(C)C 0addf1beaad564b615d19ab8a52af8fd [0,0,0,0,0,1|2,0,1]=4 1598 B11R0.176 CCCC(=O)NCCCN(C)C cf751259f6afbee38b97b33068a09f33 [0,0,0,0,0,1|3,0,0]=4 1599 B11R0.176 CCCC(=O)NCCCS(=O)C 670ba425e8076bffbcb725fbdc89baff [0,0,0,0,0,1|2,0,0]=3 1600 B11R0.176 CCCC(=O)NCCNC(=O)C fdf56c8b8f95ea88b4cd5b93357b35e6 [0,0,0,0,0,1|2,0,0]=3 1601 B11R0.176 CCCC(=O)NCCNC(=S)N befb0841db8212fce22e6cda60f22440 [0,0,0,0,0,1|2,1,0]=4 1602 B11R0.176 CCCC(=O)OCNCC(=O)C b5673b9cd851f7367e2fa76dc814d144 [0,0,0,0,0,1|2,0,0]=3 1603 B11R0.176 CCCC(=O)OCNCC(=O)N 328dae47b1454767a0a019c8036acabb [0,0,0,0,0,1|2,0,0]=3 1604 B11R0.176 CCCC(=O)OCNCC(C)O b304759118d7c52a7f930f37e90b9124 [0,0,0,0,0,1|2,0,1]=4 1605 B11R0.176 CCCC(=O)OCNC[C@@H](C)O 0787f3e46adef2052e68a66bfd8172d2 [0,0,0,0,0,1|2,0,1]=4 1606 B11R0.176 CCCC(=O)OCNC[C@H](C)O 5ce52f7828f664ce01404fd1978aef6f [0,0,0,0,0,1|2,0,1]=4 1607 B11R0.176 CCCC(=O)OCOCC(=O)C 0cac0d6e16ed0d347915ddf8df507054 [0,0,0,0,0,1|2,0,0]=3 1608 B11R0.176 CCCC(=O)OCOCC(=O)N 32dc44a603d5555b535fae8ccf18bb39 [0,0,0,0,0,1|2,0,0]=3 1609 B11R0.176 CCCC(=O)OCOCC(=O)O 10cb912603c94c204284279a18b3d390 [0,0,0,0,0,1|1,0,0]=2 1610 B11R0.176 CCCC(=O)OCOCC(=S)N 00a5d61be93b96f2e3fa70b410cc14ef [0,0,0,0,0,1|2,1,0]=4 1611 B11R0.176 CCCC(=O)OCOCS(=O)O 81226620f999eb92fad587c7e85d4982 [0,0,0,0,0,1|2,0,0]=3 1612 B11R0.176 CCCC(=S)OC/C=C/C(=O)O 220d394b4bb4a4e805fc1e52dab6726e [0,0,0,0,0,1|0,1,2]=4 1613 B11R0.176 CCCC(=S)OCC=CC(=O)O 614594a62dd4bc6f17d1ff326da0db3a [0,0,0,0,0,1|0,1,2]=4 1614 B11R0.176 CCCC(=S)OCCCC(=O)C ff8c32e800cfc46d63e45dc82c5e6201 [0,0,0,0,0,1|1,1,0]=3 1615 B11R0.176 CCCC(=S)OCCCC(=O)N 0ef97b54f4d5e96b1d5c6e0e9d1093e4 [0,0,0,0,0,1|1,1,0]=3 1616 B11R0.176 CCCC(=S)OCCCC(=O)O 7620919911fa80680af601816fd3c6b5 [0,0,0,0,0,1|0,1,0]=2 1617 B11R0.176 CCCC(=S)OCCC[N+](=O)[O-] 75f271a9321363b25652ab12a5234724 [0,0,0,0,0,1|1,1,1]=4 1618 B11R0.176 CCCC(=S)OCCNC(=O)C cc2665946396f075cc7bf5e63c2955bb [0,0,0,0,0,1|2,1,0]=4 1619 B11R0.176 CCCC(=S)OCCNC(=O)N ad69b5bf244b0e026e1c463bdaa0831b [0,0,0,0,0,1|2,1,0]=4 1620 B11R0.176 CCCC(=S)OCCOC(=O)C ae069b6cbcfcd18a36157920621bff1f [0,0,0,0,0,1|2,1,0]=4 1621 B11R0.176 CCCC(=S)OCCSC(=O)C 69852cfae80e84a25ad632eb466e80ef [0,0,0,0,0,1|2,1,0]=4 1622 B11R0.176 CCCC(C)CCOCC(=O)N 359b6ec6b454c3e91d4247f1c89a2db1 [0,0,0,0,0,1|2,0,1]=4 1623 B11R0.176 CCCC(C)CCOCC(=O)O 58d54a522ab047b6bc16c21f6d8fc26f [0,0,0,0,0,1|1,0,1]=3 1624 B11R0.176 CCCC(C)CNCCC(=O)N 91a260e441fe1319ef41b4b565e7d6a5 [0,0,0,0,0,1|2,0,1]=4 1625 B11R0.176 CCCC(C)CNCCC(=O)O 73577dfd03901eef4bbe55dae4ae1fb2 [0,0,0,0,0,1|1,0,1]=3 1626 B11R0.176 CCCC(C)CNCCS(=O)O 3c4cc235b4d21c0f9947b3bab0b8e1b1 [0,0,0,0,0,1|2,0,1]=4 1627 B11R0.176 CCCC(C)COCCC(=O)C bd63923e341658bc0c9300990aab97f0 [0,0,0,0,0,1|2,0,1]=4 1628 B11R0.176 CCCC(C)COCCC(=O)N 58b947f8fa61af8147ed00e5f4889046 [0,0,0,0,0,1|2,0,1]=4 1629 B11R0.176 CCCC(C)COCCC(=O)O bd84fe650b47e44f2be6aeb7b4c8bf06 [0,0,0,0,0,1|1,0,1]=3 1630 B11R0.176 CCCC(C)NCCCC(=O)C 79eb50a76b50a71931c0c933e59fcd2f [0,0,0,0,0,1|2,0,1]=4 1631 B11R0.176 CCCC(C)NCCCC(=O)N 9e8b836337adeda77636bae0ad7852aa [0,0,0,0,0,1|2,0,1]=4 1632 B11R0.176 CCCC(C)NCCCC(=O)O 04c4a7a7f4ffa1b1244fa093c18dae54 [0,0,0,0,0,1|1,0,1]=3 1633 B11R0.176 CCCC(C)OCCCC(=O)C 96bfe9d58b63417e93594d6565e1abcf [0,0,0,0,0,1|2,0,1]=4 1634 B11R0.176 CCCC(C)OCCCC(=O)N 34f4dda2cc7c092c131b383432741a79 [0,0,0,0,0,1|2,0,1]=4 1635 B11R0.176 CCCC(O)CNCCC(=O)C e02e86ed7fd6744f57635282519df3e7 [0,0,0,0,0,1|1,0,2]=4 1636 B11R0.176 CCCC(O)CNCCC(=O)N 3cfae3bd5c7a1f07cc4edc83411ad4c9 [0,0,0,0,0,1|1,0,2]=4 1637 B11R0.176 CCCC(O)CNCCC(=O)O 74f98abd31079fd9c6942e28afbcf109 [0,0,0,0,0,1|0,0,2]=3 1638 B11R0.176 CCCC(S)CCOCC(=O)N 1367eecf0e1959d570e46e5748c2af2b [0,0,0,0,0,1|1,1,1]=4 1639 B11R0.176 CCCC(S)CCOCC(=O)O 82e8413d3a62e6cdf39de4a52bb4d7db [0,0,0,0,0,1|0,1,1]=3 1640 B11R0.176 CCCN(C)CCCCC(=O)C 064d9b300dd783383958c1adc14d8e94 [0,0,0,0,0,1|3,0,0]=4 1641 B11R0.176 CCCN(C)CCCCC(=O)N f3e32e305232e922bc56ab9f2e82658a [0,0,0,0,0,1|3,0,0]=4 1642 B11R0.176 CCCN(C)CCCCC(=O)O daac98f71969a61f3a6ff1214645bf8a [0,0,0,0,0,1|2,0,0]=3 1643 B11R0.176 CCCN(C)CCCNC(=O)C 69971c97980bad548d45663c22fa8e10 [0,0,0,0,0,1|3,0,0]=4 1644 B11R0.176 CCCN(C)CCCOC(=O)C 320c7f38077449ca704ca86acd48f0dd [0,0,0,0,0,1|3,0,0]=4 1645 B11R0.176 CCCN(C)CCCSC(=O)C 9c5e5e188d0891dcea34c6b5087bdf04 [0,0,0,0,0,1|3,0,0]=4 1646 B11R0.176 CCCN(C)CCOCC(=O)N 3a1da17b13f92dd0f77cff14387863e5 [0,0,0,0,0,1|3,0,0]=4 1647 B11R0.176 CCCN(C)CCOCC(=O)O debc12ce8355b5b9418a77c113cb3ddd [0,0,0,0,0,1|2,0,0]=3 1648 B11R0.176 CCC[C@@H](C)OCCCC(=O)C 5c0372cf8436cbcabf8a92bbcecf0d0f [0,0,0,0,0,1|2,0,1]=4 1649 B11R0.176 CCC[C@@H](C)OCCCC(=O)N 066d5263b19b4a986ad51196f09e594b [0,0,0,0,0,1|2,0,1]=4 1650 B11R0.176 CCC[C@H](C)NCCCC(=O)C e24e3060e406b1afa25fa4590636f9fd [0,0,0,0,0,1|2,0,1]=4 1651 B11R0.176 CCC[C@H](C)NCCCC(=O)N 5ab6e7ea5573a2fb7b9a9081b714830e [0,0,0,0,0,1|2,0,1]=4 1652 B11R0.176 CCC[C@H](C)NCCCC(=O)O 0524477b3463cafee31b71a289309eed [0,0,0,0,0,1|1,0,1]=3 1653 B11R0.176 CCC[C@H](C)OCCCC(=O)C 0e20888937b7c12d77484063f65da900 [0,0,0,0,0,1|2,0,1]=4 1654 B11R0.176 CCC[C@H](C)OCCCC(=O)N 05a708350f9e23ed0eb7a85a60327220 [0,0,0,0,0,1|2,0,1]=4 1655 B11R0.176 CCNC(=O)CCNCC(=O)C c4e46581bf6ba91425883a1ff9db8b2f [0,0,0,0,0,1|2,0,0]=3 1656 B11R0.176 CCNC(=O)CCNCC(=O)N 54f91cdb5351fb3a2f416a0705c4c14b [0,0,0,0,0,1|2,0,0]=3 1657 B11R0.176 CCNC(=O)CCNCC(=O)O 6bd807948c61bb4c258c2888204871aa [0,0,0,0,0,1|1,0,0]=2 1658 B11R0.176 CCNC(=O)CCNCC(C)O 4a8b29fb50ccaeaf9df6638fa7118bd0 [0,0,0,0,0,1|2,0,1]=4 1659 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 7f474bf0f2b43e34d27da1fb09634ce2 [0,0,0,0,0,1|2,0,1]=4 1660 B11R0.176 CCNC(=O)CCNC[C@H](C)O b7e2f0dad4355c6beb52667516d70c51 [0,0,0,0,0,1|2,0,1]=4 1661 B11R0.176 CCNC(=O)CCOCC(=O)C 320699ba4c657643b79bc601370e0a9e [0,0,0,0,0,1|2,0,0]=3 1662 B11R0.176 CCNC(=O)CCOCC(=O)N e5dd88d61f0a63c08a59706fda1bbaea [0,0,0,0,0,1|2,0,0]=3 1663 B11R0.176 CCNC(=O)CCOCC(=O)O 3f8169616e0e3f9dfa4b9555e8b33b5c [0,0,0,0,0,1|1,0,0]=2 1664 B11R0.176 CCNC(=O)CCOCC(=S)N 9158d9841ec0d1e5a040079ae60eda3f [0,0,0,0,0,1|2,1,0]=4 1665 B11R0.176 CCNC(=O)CCOCS(=O)O de403a873f2196c2c1625b01f345bd87 [0,0,0,0,0,1|2,0,0]=3 1666 B11R0.176 CCNC(=O)CNCCC(=O)C 08add3714131c9a83c27132d3500417d [0,0,0,0,0,1|2,0,0]=3 1667 B11R0.176 CCNC(=O)CNCCC(=O)N 82ae45e7f17819f5508973fe45a2222c [0,0,0,0,0,1|2,0,0]=3 1668 B11R0.176 CCNC(=O)CNCCC(=O)O ae43ec3cd385763249b4cdd22f141dfd [0,0,0,0,0,1|1,0,0]=2 1669 B11R0.176 CCNC(=O)CNCCC(=S)N 26d8ee7b66890ef6aeed8d0aa64e32db [0,0,0,0,0,1|2,1,0]=4 1670 B11R0.176 CCNC(=O)CNCCC(C)O 848ec6a3bdab3950e94bd56c0712ccd0 [0,0,0,0,0,1|2,0,1]=4 1671 B11R0.176 CCNC(=O)CNCCS(=O)C 40d7740c3c1e6baedfb00aed683f29f7 [0,0,0,0,0,1|3,0,0]=4 1672 B11R0.176 CCNC(=O)CNCCS(=O)O c1f20d17c80abc05cb665b0a82c55d10 [0,0,0,0,0,1|2,0,0]=3 1673 B11R0.176 CCNC(=O)CNCC[C@@H](C)O 0b8e4105e87dc85aa5af3f4c3acb0aee [0,0,0,0,0,1|2,0,1]=4 1674 B11R0.176 CCNC(=O)CNCC[C@H](C)O da644281ae27ac1f53cdb9c6b8846b63 [0,0,0,0,0,1|2,0,1]=4 1675 B11R0.176 CCNC(=O)CNCOC(=O)C 0b4b861691d512a9eb941a69f7e1008b [0,0,0,0,0,1|3,0,0]=4 1676 B11R0.176 CCNC(=O)CNCSC(=O)N 87cc9cf60651c2059f9277b23445360a [0,0,0,0,0,1|3,0,0]=4 1677 B11R0.176 CCNC(=O)COCCC(=O)C 07307af4a137e5e9f4745f2fd87c0287 [0,0,0,0,0,1|2,0,0]=3 1678 B11R0.176 CCNC(=O)COCCC(=O)N cd8145e8914766378c472fc7755ff3ce [0,0,0,0,0,1|2,0,0]=3 1679 B11R0.176 CCNC(=O)COCCC(=O)O 1b6ae51128537216b42d31a27642503f [0,0,0,0,0,1|1,0,0]=2 1680 B11R0.176 CCNC(=O)COCCS(=O)C 0883643282bfe0b38012b6c8f706d090 [0,0,0,0,0,1|3,0,0]=4 1681 B11R0.176 CCNC(=O)COCC[N+](=O)[O-] 885d3398fd6cfe40034d43c1681a7b8b [0,0,0,0,0,1|2,0,1]=4 1682 B11R0.176 CCNC(=O)COCNC(=O)C a47a2fc15d96ad89e337e7b491323f1c [0,0,0,0,0,1|3,0,0]=4 1683 B11R0.176 CCNC(=O)COCNC(=O)N 34941db472b6c9361c2b70ef681bd577 [0,0,0,0,0,1|3,0,0]=4 1684 B11R0.176 CCNC(=O)COCOC(=O)C b38eae6bf253fad534ab18fc408b6079 [0,0,0,0,0,1|3,0,0]=4 1685 B11R0.176 CCNC(=O)COCSC(=O)N c02484e11f56e8bafa44c8d8da3d609f [0,0,0,0,0,1|3,0,0]=4 1686 B11R0.176 CCOC(=O)CCCNC(=O)C 0e4b10eaf869284182e579e5916d4817 [0,0,0,0,0,1|2,0,0]=3 1687 B11R0.176 CCOC(=O)CCNCC(=O)C 5c333197bafd2d0799d05181ad75eb75 [0,0,0,0,0,1|2,0,0]=3 1688 B11R0.176 CCOC(=O)CCNCC(=O)N bd38fa07feae2f6e8e82ab4eef768b5a [0,0,0,0,0,1|2,0,0]=3 1689 B11R0.176 CCOC(=O)CCNCC(=O)O 177bda5240d3a898e100a4d108de291d [0,0,0,0,0,1|1,0,0]=2 1690 B11R0.176 CCOC(=O)CCNCC(C)O be2b98916a55b42175156b0abd4f7e8f [0,0,0,0,0,1|2,0,1]=4 1691 B11R0.176 CCOC(=O)CCNC[C@@H](C)O 4a1dd57d45a3dc61a46db3bb3a9bbcb9 [0,0,0,0,0,1|2,0,1]=4 1692 B11R0.176 CCOC(=O)CCNC[C@H](C)O b78bb5c7366f131676015783c3a6e13b [0,0,0,0,0,1|2,0,1]=4 1693 B11R0.176 CCOC(=O)CCNC[N+](=O)[O-] d6a0a4e97295b3885219606430d4e0cd [0,0,0,0,0,1|2,0,1]=4 1694 B11R0.176 CCOC(=O)CCOCC(=O)C 3e01c913fae45621e213c2fb613b76d8 [0,0,0,0,0,1|2,0,0]=3 1695 B11R0.176 CCOC(=O)CCOCC(=O)N b40450189514d33ed58c09aac5cc7103 [0,0,0,0,0,1|2,0,0]=3 1696 B11R0.176 CCOC(=O)CCOCC(=O)O 676ae5cf1e007c00af194801a52a9559 [0,0,0,0,0,1|1,0,0]=2 1697 B11R0.176 CCOC(=O)CCOCS(=O)O a595178d4a12f92759d23c4d28acee93 [0,0,0,0,0,1|2,0,0]=3 1698 B11R0.176 CCOC(=O)CCOC[N+](=O)[O-] 16a0bc6b87eba6d6fd1450369b1e6693 [0,0,0,0,0,1|2,0,1]=4 1699 B11R0.176 CCOC(=O)CNCCC(=O)C 10db58e5a3c075d4a38858f804925df8 [0,0,0,0,0,1|2,0,0]=3 1700 B11R0.176 CCOC(=O)CNCCC(=O)N 042df64b58a1663198601495b4de84c7 [0,0,0,0,0,1|2,0,0]=3 1701 B11R0.176 CCOC(=O)CNCCC(=O)O e7bcd3c7dbee697b278498a48ef8aba9 [0,0,0,0,0,1|1,0,0]=2 1702 B11R0.176 CCOC(=O)CNCCC(=S)N d3b39e5f757b44af2406c6b8a51b82c9 [0,0,0,0,0,1|2,1,0]=4 1703 B11R0.176 CCOC(=O)CNCCC(C)O e1f9006d512cde7fecb5f51e75dc346a [0,0,0,0,0,1|2,0,1]=4 1704 B11R0.176 CCOC(=O)CNCCS(=O)C dfe90198f09db09aaf643b35eb7dfaa1 [0,0,0,0,0,1|3,0,0]=4 1705 B11R0.176 CCOC(=O)CNCCS(=O)O aec347e64aad5ba46cac97ee889b95a0 [0,0,0,0,0,1|2,0,0]=3 1706 B11R0.176 CCOC(=O)CNCC[C@@H](C)O 84bb1fed0add28b47c15f032556c1047 [0,0,0,0,0,1|2,0,1]=4 1707 B11R0.176 CCOC(=O)CNCC[C@H](C)O aa5de25fbf023820ef33b008e20907c8 [0,0,0,0,0,1|2,0,1]=4 1708 B11R0.176 CCOC(=O)CNCOC(=O)C 4c75183b041e2d0140bbc781a65c38ae [0,0,0,0,0,1|3,0,0]=4 1709 B11R0.176 CCOC(=O)CNCSC(=O)N d1c9d8af9b2cc406a8cb572e71cb462c [0,0,0,0,0,1|3,0,0]=4 1710 B11R0.176 CCOC(=O)COCCC(=O)C 46a8404c2b29bc804e5c504a0f850095 [0,0,0,0,0,1|2,0,0]=3 1711 B11R0.176 CCOC(=O)COCCC(=O)N 5d14cf27b928aba99d54fb1f7a71642e [0,0,0,0,0,1|2,0,0]=3 1712 B11R0.176 CCOC(=O)COCCC(=O)O ee7ea4ecc27c308a2e83c3c710d87b8b [0,0,0,0,0,1|1,0,0]=2 1713 B11R0.176 CCOC(=O)COCCS(=O)C 3e5944861463d73958a7b1e75edbe920 [0,0,0,0,0,1|3,0,0]=4 1714 B11R0.176 CCOC(=O)COCC[N+](=O)[O-] 286f8c459a25d7a1dd964e7441308f17 [0,0,0,0,0,1|2,0,1]=4 1715 B11R0.176 CCOC(=O)COCNC(=O)C 63d885f6f0255b06777be8c195accbfe [0,0,0,0,0,1|3,0,0]=4 1716 B11R0.176 CCOC(=O)COCNC(=O)N cb40693a35ff3440d2bc8971aa2c8b87 [0,0,0,0,0,1|3,0,0]=4 1717 B11R0.176 CCOC(=O)COCOC(=O)C 5438a2364d95324a99052bfc29453f7c [0,0,0,0,0,1|3,0,0]=4 1718 B11R0.176 CCOC(=O)COCSC(=O)N 3d7dd22debd8f98c8c51359bf3ade384 [0,0,0,0,0,1|3,0,0]=4 1719 B11R0.176 CCOC(=O)OCNCC(=O)C aadadd5282ee4aceeed0b1c1468c7ade [0,0,0,0,0,1|3,0,0]=4 1720 B11R0.176 CCOC(=O)OCNCC(=O)N 4ce4223df7c40f97347510028fd98236 [0,0,0,0,0,1|3,0,0]=4 1721 B11R0.176 CCOC(=O)OCNCC(=O)O bcdde8e67f34f5b7c9bf841074c69564 [0,0,0,0,0,1|2,0,0]=3 1722 B11R0.176 CCOC(=O)OCOCC(=O)C a7e01b64d2905b21ef89a2dc11490eca [0,0,0,0,0,1|3,0,0]=4 1723 B11R0.176 CCOC(=O)OCOCC(=O)N 3257410839a74eb6f85b3b6e43f45ca3 [0,0,0,0,0,1|3,0,0]=4 1724 B11R0.176 CCOC(=O)OCOCS(=O)O d7649d571e6f7762ddbe78e5e772db72 [0,0,0,0,0,1|3,0,0]=4 1725 B11R0.176 CCOC(C)CNCCC(=O)O b16b8805951c8965d58f88c25a1648fa [0,0,0,0,0,1|2,0,1]=4 1726 B11R0.176 CCOC(C)COCCC(=O)O 414c28fbf11586ce871a277d75c345c5 [0,0,0,0,0,1|2,0,1]=4 1727 B11R0.176 CCSC(=O)OCNCC(=O)C 5fe33686118c30462487f997981af2ad [0,0,0,0,0,1|3,0,0]=4 1728 B11R0.176 CCSC(=O)OCNCC(=O)N 1d00dcf5dadffbf34a4f02a6ba6ec6af [0,0,0,0,0,1|3,0,0]=4 1729 B11R0.176 CCSC(=O)OCNCC(=O)O eca265b22762bd8eb982d9f019f98682 [0,0,0,0,0,1|2,0,0]=3 1730 B11R0.176 CCSC(=O)OCOCC(=O)C ebf1b15e09895bebcd1fe92b1c335d20 [0,0,0,0,0,1|3,0,0]=4 1731 B11R0.176 CCSC(=O)OCOCC(=O)N d02aff51f0551eb92151018e69410528 [0,0,0,0,0,1|3,0,0]=4 1732 B11R0.176 CCSC(=O)OCOCC(=O)O 4e75962b1af8e988cd9316fbc2b63a35 [0,0,0,0,0,1|2,0,0]=3 1733 B11R0.176 CCSC(=O)OCOCS(=O)O a9e4217d57ff7dcc9fc3a26426aca7ea [0,0,0,0,0,1|3,0,0]=4 1734 B11R0.176 CN(CCF)CCCCC(=O)O 71a182ebaa7165e270a8035109e56244 [0,0,0,0,0,1|3,0,0]=4 1735 B11R0.176 CN(CCF)CCOCC(=O)O 95563dbb4a4d6fc5cb9ef6246ca143a2 [0,0,0,0,0,1|3,0,0]=4 1736 B11R0.176 CN(CCO)CCCCC(=O)O d79c655a40001a61187c32d43162451b [0,0,0,0,0,1|3,0,0]=4 1737 B11R0.176 CN(CCO)CCNCC(=O)O 8c9f2f6d84324ab24666eaa18f1dfe18 [0,0,0,0,0,1|3,0,0]=4 1738 B11R0.176 CN(CCO)CCOCC(=O)O b505673c68eb922f316fa8dbe7c2b128 [0,0,0,0,0,1|3,0,0]=4 1739 B11R0.176 CN(CCS)CCCCC(=O)O cce85b55a77bc80c23be6c823ca8ebe7 [0,0,0,0,0,1|3,0,0]=4 1740 B11R0.176 COCC(=O)CNCCC(=O)N 9bb1c2c39de4a23275bf01f3121cf6be [0,0,0,0,0,1|2,0,0]=3 1741 B11R0.176 COCC(=O)CNCCC(=S)N d0b74109087acfe1ac3d21ad2748bf80 [0,0,0,0,0,1|2,1,0]=4 1742 B11R0.176 COCC(=O)CNCCC(C)O 6ff5e49e8efaeb4910d519fd67ae3b94 [0,0,0,0,0,1|2,0,1]=4 1743 B11R0.176 COCC(=O)CNCC[C@@H](C)O 9e89a7bb8a1bf4b2ea04ee5a8d208bae [0,0,0,0,0,1|2,0,1]=4 1744 B11R0.176 COCC(=O)CNCC[C@H](C)O 6aeff9b18d1eba9f8145e78c0240a6f3 [0,0,0,0,0,1|2,0,1]=4 1745 B11R0.176 COCC(=O)COCCC(=O)N b3cc7b919171aa9850f051205682918f [0,0,0,0,0,1|2,0,0]=3 1746 B11R0.176 COCC(=O)COCC[N+](=O)[O-] 29010354202b6b1fb5b070dd066ec416 [0,0,0,0,0,1|2,0,1]=4 1747 B11R0.176 COCC(=O)COCNC(=O)C 326c5bdd3446698ff0a838513b3be1b5 [0,0,0,0,0,1|3,0,0]=4 1748 B11R0.176 COCC(=O)COCNC(=O)N 4d6d03eb3c57570ec3be7824bc41f796 [0,0,0,0,0,1|3,0,0]=4 1749 B11R0.176 COCC(=O)NCCCC(=O)N 9d8f0e310dcbd3fa15da5cfa15055487 [0,0,0,0,0,1|2,0,0]=3 1750 B11R0.176 COCC(=O)NCCCS(=O)C 2686129966aa78ca74b9e43c3f3a657f [0,0,0,0,0,1|3,0,0]=4 1751 B11R0.176 COCC(=O)NCCNC(=O)C e3ce6b7c70dfb7f60691b733ff9f1130 [0,0,0,0,0,1|3,0,0]=4 1752 B11R0.176 COCC(C)NCCCC(=O)O cec552d311fa30ce077ddec9d33e1d7c [0,0,0,0,0,1|2,0,1]=4 1753 B11R0.176 COCC(O)CNCCC(=O)O 9b0609b81646f0ad37c37539b382eb77 [0,0,0,0,0,1|1,0,2]=4 1754 B11R0.176 COCN(C)CCCCC(=O)O 936517f22bdfb59296e2bf7c69aeb6f4 [0,0,0,0,0,1|3,0,0]=4 1755 B11R0.176 COC[C@@H](C)NCCCC(=O)O 90345be62b0560502ae18dd4c399f9a8 [0,0,0,0,0,1|2,0,1]=4 1756 B11R0.176 COC[C@@H](O)CNCCC(=O)O c9f6b7e3665e6cdbbbb2ca8c07638fe9 [0,0,0,0,0,1|1,0,2]=4 1757 B11R0.176 COC[C@H](C)NCCCC(=O)O ab706748835cb9e07c19c5bf84e53bf0 [0,0,0,0,0,1|2,0,1]=4 1758 B11R0.176 CS(=O)CCCNC(=O)CCF 35b04ca8778cdc15ecee57eaa23e3505 [0,0,0,0,0,1|3,0,0]=4 1759 B11R0.176 CS(=O)CCCNC(=O)CCO 74d7824b742ff811232c4b41dd5da3f2 [0,0,0,0,0,1|3,0,0]=4 1760 B11R0.176 CS(=O)CCCNC(=O)CCS b4b2d367c6fc21c6b28bdd521c8c640f [0,0,0,0,0,1|3,0,0]=4 1761 B11R0.176 CSCC(=O)NCCCC(=O)N 633604e6b046b44ad14460a6bb2656da [0,0,0,0,0,1|2,0,0]=3 1762 B11R0.176 CSCC(=O)NCCCS(=O)C 13fa67fa289b748827a74efed7b1218c [0,0,0,0,0,1|3,0,0]=4 1763 B11R0.176 CSCC(=O)NCCNC(=O)C 07fbcce999b4e903462ee34cf778a05c [0,0,0,0,0,1|3,0,0]=4 1764 B11R0.176 CSCC(C)OCCCC(=O)O 5915820b4c8522f8ee66e8992417579e [0,0,0,0,0,1|2,0,1]=4 1765 B11R0.176 CSCN(C)CCCCC(=O)O 65b96fd18ddd5ceca7eb99693a511c18 [0,0,0,0,0,1|3,0,0]=4 1766 B11R0.176 C[C@@H](CCO)NCCCC(=O)O aa94313cd6d93ff1eae8e62290362358 [0,0,0,0,0,1|2,0,1]=4 1767 B11R0.176 C[C@H](CCO)NCCCC(=O)O 16c2017fc07560fe8790be04a376de0d [0,0,0,0,0,1|2,0,1]=4 1768 B11R0.176 N#CCC(=O)NCCCC(=O)N 0529ecbfc3e84500f25cf05a0d4efa25 [0,0,0,0,0,1|2,0,1]=4 1769 B11R0.176 N#CNC(=O)NCCCC(=O)O c67018deb3f72fcc7e2769c772de1ce5 [0,0,0,0,0,1|2,0,1]=4 1770 B11R0.176 NC(=O)CCCNC(=O)CC=O a6be58e1d1adeb5b07a77ca19dfd98f8 [0,0,0,0,0,1|2,0,1]=4 1771 B11R0.176 NC(=O)CCCNC(=O)CCF e88057ede701cb8c540c9d9952ff7315 [0,0,0,0,0,1|2,0,0]=3 1772 B11R0.176 NC(=O)CCCNC(=O)CCO 062289b08a0e6013e53132e38a69059b [0,0,0,0,0,1|2,0,0]=3 1773 B11R0.176 NC(=O)CCCNC(=O)CCS fd81e9af3099cde0e04b8857756256f9 [0,0,0,0,0,1|2,0,0]=3 1774 B11R0.176 NC(=O)CCNCC(=O)NCO 6671092f6e4137128d95d2311f2a7ca8 [0,0,0,0,0,1|3,0,0]=4 1775 B11R0.176 NOCC(=O)NCCCC(=O)N 1bbd358ffdf214afa4467fc7f572f060 [0,0,0,0,0,1|3,0,0]=4 1776 B11R0.176 O=C(CNCCS(=O)O)NCO 8a7b8b6b716f53d02e0b232061c32c63 [0,0,0,0,0,1|3,0,0]=4 1777 B11R0.176 O=C(O)CCNCC(=O)NCO 2d1a4165585efd9a3568bec81805a9eb [0,0,0,0,0,1|2,0,0]=3 1778 B11R0.176 O=C(O)CCOC[C@@H](O)CCO 1943caf4cbf992cc7ad4ec2408f04729 [0,0,0,0,0,1|1,0,2]=4 1779 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [2,0,0,0,0,0|2,0,0]=4 1780 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [2,0,0,0,0,0|2,0,0]=4 1781 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [2,0,0,0,0,0|1,0,1]=4 1782 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [2,0,0,0,0,0|1,0,0]=3 1783 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [2,0,0,0,0,0|1,0,1]=4 1784 B8R0.6 CCN(C)CCCC=O 3dbfe5dc5050d94978ae64e6b9604998 [2,0,0,0,0,0|2,0,0]=4 1785 B8R0.6 CNC(=O)CCNC=O 0287357d6b05e381fe3090944ec763f1 [2,0,0,0,0,0|2,0,0]=4 1786 B8R0.6 CNC(=O)CNCC=O cfe6c3d1fbc6a8a471727a0cb22b0fb6 [2,0,0,0,0,0|2,0,0]=4 1787 B8R0.6 CNC(=O)COCC=O 8efd894a0631a7157c9af1a4a1868776 [2,0,0,0,0,0|2,0,0]=4 1788 B8R0.6 COC(=O)CCNC=O 8ac47f4f93ba11ad1bac38fab4d03870 [2,0,0,0,0,0|2,0,0]=4 1789 B8R0.6 COC(=O)CNCC=O 1fc8d9a11636943df274e536a047e50f [2,0,0,0,0,0|2,0,0]=4 1790 B8R0.6 COC(=O)COCC=O 0afb003629944418146881e5868bab6a [2,0,0,0,0,0|2,0,0]=4 1791 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [2,0,0,0,0,0|1,0,1]=4 1792 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [2,0,0,0,0,0|1,0,1]=4 1793 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [2,0,0,0,0,0|1,0,1]=4 1794 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [2,0,0,0,0,0|1,0,1]=4 1795 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [2,0,0,0,0,0|1,0,1]=4 1796 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [2,0,0,0,0,0|1,0,1]=4 1797 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [2,0,0,0,0,0|2,0,0]=4 1798 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [2,0,0,0,0,0|2,0,0]=4 1799 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [2,0,0,0,0,0|2,0,0]=4 1800 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [2,0,0,0,0,0|1,0,0]=3 1801 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [2,0,0,0,0,0|2,0,0]=4 1802 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [2,0,0,0,0,0|2,0,0]=4 1803 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [2,0,0,0,0,0|1,0,0]=3 1804 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [2,0,0,0,0,0|2,0,0]=4 1805 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [2,0,0,0,0,0|2,0,0]=4 1806 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [2,0,0,0,0,0|2,0,0]=4 1807 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [2,0,0,0,0,0|1,0,0]=3 1808 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [2,0,0,0,0,0|2,0,0]=4 1809 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [2,0,0,0,0,0|2,0,0]=4 1810 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [2,0,0,0,0,0|2,0,0]=4 1811 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [2,0,0,0,0,0|1,0,0]=3 1812 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [2,0,0,0,0,0|2,0,0]=4 1813 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [2,0,0,0,0,0|1,0,0]=3 1814 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [2,0,0,0,0,0|2,0,0]=4 1815 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [2,0,0,0,0,0|2,0,0]=4 1816 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [2,0,0,0,0,0|2,0,0]=4 1817 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [2,0,0,0,0,0|2,0,0]=4 1818 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [2,0,0,0,0,0|2,0,0]=4 1819 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [2,0,0,0,0,0|2,0,0]=4 1820 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [2,0,0,0,0,0|2,0,0]=4 1821 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [2,0,0,0,0,0|2,0,0]=4 1822 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [2,0,0,0,0,0|2,0,0]=4 1823 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [2,0,0,0,0,0|2,0,0]=4 1824 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [2,0,0,0,0,0|2,0,0]=4 1825 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [2,0,0,0,0,0|2,0,0]=4 1826 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [2,0,0,0,0,0|2,0,0]=4 1827 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [2,0,0,0,0,0|2,0,0]=4 1828 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [2,0,0,0,0,0|2,0,0]=4 1829 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [2,0,0,0,0,0|2,0,0]=4 1830 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [2,0,0,0,0,0|2,0,0]=4 1831 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [2,0,0,0,0,0|2,0,0]=4 1832 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [2,0,0,0,0,0|2,0,0]=4 1833 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [2,0,0,0,0,0|2,0,0]=4 1834 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [2,0,0,0,0,0|2,0,0]=4 1835 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [2,0,0,0,0,0|2,0,0]=4 1836 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [2,0,0,0,0,0|2,0,0]=4 1837 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [2,0,0,0,0,0|2,0,0]=4 1838 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [2,0,0,0,0,0|2,0,0]=4 1839 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [2,0,0,0,0,0|2,0,0]=4 1840 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [2,0,0,0,0,0|2,0,0]=4 1841 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [2,0,0,0,0,0|2,0,0]=4 1842 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [2,0,0,0,0,0|2,0,0]=4 1843 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [2,0,0,0,0,0|1,0,0]=3 1844 B8R0.28 CC(=O)COCC(=O)N 7a09bf9a262295e1e2b0e443dba0be09 [2,0,0,0,0,0|2,0,0]=4 1845 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [2,0,0,0,0,0|1,0,0]=3 1846 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [2,0,0,0,0,0|2,0,0]=4 1847 B8R0.28 CC(=O)NCCS(=O)O 7023ecca400195c2464a327147893c5f [2,0,0,0,0,0|2,0,0]=4 1848 B8R0.28 NC(=O)CNCC(=O)O f2703709dbe66eb9eafa6a5e3a6833d0 [2,0,0,0,0,0|2,0,0]=4 1849 B8R0.28 NC(=O)COCC(=O)O ca1a8d30b253d832771128a06ed499a3 [2,0,0,0,0,0|2,0,0]=4 1850 B8R0.28 O=C(O)CNCC(=O)O 7ab7bcf73fc666bf191dd4d7783c1974 [2,0,0,0,0,0|2,0,0]=4 1851 B8R0.28 O=C(O)COCC(=O)O c0e1c849c7114f9f4b4ce529ad852b29 [2,0,0,0,0,0|2,0,0]=4 1852 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [2,0,0,0,0,0|2,0,0]=4 1853 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [2,0,0,0,0,0|2,0,0]=4 1854 B8R0.4 CC/C=C/COCC=O 397bbf00664315773de6e24f33c3ac9b [2,0,0,0,0,0|1,0,1]=4 1855 B8R0.4 CC/C=C\COCC=O 59f6dd0fa4df871899af277da158060d [2,0,0,0,0,0|1,0,1]=4 1856 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [2,0,0,0,0,0|1,0,1]=4 1857 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [2,0,0,0,0,0|1,0,1]=4 1858 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [2,0,0,0,0,0|1,0,1]=4 1859 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [2,0,0,0,0,0|1,0,1]=4 1860 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [2,0,0,0,0,0|1,0,1]=4 1861 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [2,0,0,0,0,0|1,0,0]=3 1862 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [2,0,0,0,0,0|1,0,1]=4 1863 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [2,0,0,0,0,0|1,0,0]=3 1864 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [2,0,0,0,0,0|2,0,0]=4 1865 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [2,0,0,0,0,0|2,0,0]=4 1866 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [2,0,0,0,0,0|1,0,1]=4 1867 B8R0.4 COCOCCCC=O 684e0671f7887e8ada626a3c87e02a67 [2,0,0,0,0,0|2,0,0]=4 1868 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [2,0,0,0,0,0|2,0,0]=4 1869 B8R0.4 O=CCCCNCCBr 5e09bfc9621932d4fb0368b0d04a42bb [2,0,0,0,0,0|2,0,0]=4 1870 B8R0.4 O=CCCCNCCF 9ef00e7f50632796f91c39cf64b27b1e [2,0,0,0,0,0|2,0,0]=4 1871 B8R0.4 O=CCCCNCCI abb8da695e5124ac987c7d8731b9762b [2,0,0,0,0,0|2,0,0]=4 1872 B8R0.4 O=CCCCNCCO 1bdd2d1ee3e05ff4d3000e48e13914eb [2,0,0,0,0,0|2,0,0]=4 1873 B8R0.4 O=CCCCNCCS 303aeb6b773578a67453b1630ba18dc2 [2,0,0,0,0,0|2,0,0]=4 1874 B8R0.4 O=CCCCOCCF e7532aaece8a67865517c3b01b67c5ec [2,0,0,0,0,0|2,0,0]=4 1875 B8R0.4 O=CCCCOCCS 991b115ad7b60aa47bc8f80580adc02b [2,0,0,0,0,0|2,0,0]=4 1876 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [2,0,0,0,0,0|2,0,0]=4 1877 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [2,0,0,0,0,0|2,0,0]=4 1878 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [2,0,0,0,0,0|2,0,0]=4 1879 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [2,0,0,0,0,0|1,0,0]=3 1880 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [2,0,0,0,0,0|1,1,0]=4 1881 B8R0.1 CCCC(=S)OCC=O ee4851bc3a15d19c33e510859df38ec8 [2,0,0,0,0,0|1,1,0]=4 1882 B8R0.1 CCCN(C)CCC=O cd4badc64192ce4c537889fd9678d594 [2,0,0,0,0,0|2,0,0]=4 1883 B8R0.1 CCCN(C)CCCO bcaba704baeaba819c24be99d4c792f1 [2,0,0,0,0,0|2,0,0]=4 1884 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [2,0,0,0,0,0|1,0,1]=4 1885 B8R0.1 CCNC(=O)CNC=O d640e3fac3bdd04f4eea38aa909b37a0 [2,0,0,0,0,0|2,0,0]=4 1886 B8R0.1 CCNC(=O)CNCO ce3cba50f7ed87e7409428e42c23fd71 [2,0,0,0,0,0|2,0,0]=4 1887 B8R0.1 CCOC(=O)CNC=O 9f57910f0884d9a30d5951af969e11f6 [2,0,0,0,0,0|2,0,0]=4 1888 B8R0.1 CCOC(=O)CNCO be258da79336855a99e7f18427102b1b [2,0,0,0,0,0|2,0,0]=4 1889 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [2,0,0,0,0,0|2,0,0]=4 1890 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [2,0,0,0,0,0|2,0,0]=4 1891 B8R0.1 O=C(CCF)NCCO 8a006b90c0f677be977fd587da748001 [2,0,0,0,0,0|2,0,0]=4 1892 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [2,0,0,0,0,0|2,0,0]=4 1893 B8R0.1 O=C(CCS)NCCO 41c5fbd04fe40888bf540f13522d8b85 [2,0,0,0,0,0|2,0,0]=4 1894 B10R0.44 C=C(CC)CN(C)CC(=O)O 2026cd9e7c2eaedcde36467395708cdd [1,1,0,0,0,0|2,0,0]=4 1895 B10R0.44 CCC(=O)CN(C)CC(=O)N c97057314c92678418151c1fc46e520d [1,1,0,0,0,0|2,0,0]=4 1896 B10R0.44 CCC(=O)CN(C)CC(=O)O 45863bc3f8a9e831e1a2bb53f6fa3c38 [1,1,0,0,0,0|1,0,0]=3 1897 B10R0.44 CN(CC(=O)O)CC(=O)CO e39753881b19def67f48d1f592df69b7 [1,1,0,0,0,0|2,0,0]=4 1898 B10R0.44 CNC(=O)CN(C)CC(=O)O bb62a49696cb6934cce21d8f35389b61 [1,1,0,0,0,0|2,0,0]=4 1899 B10R0.44 COC(=O)CN(C)CC(=O)O 02bfdacc4f3f3f01c9f3fe73867c49d9 [1,1,0,0,0,0|2,0,0]=4 1900 B10R0.57 CCC(=O)C(C)NCC(=O)C 727e82bf1c5f4fad621e869afd5a8cc4 [1,1,0,0,0,0|2,0,0]=4 1901 B10R0.57 CCC(=O)C(C)NCC(=O)N 371ee404b81e952183f842e51412825e [1,1,0,0,0,0|2,0,0]=4 1902 B10R0.57 CCC(=O)C(C)NCC(=O)O 6bb22feb467b101c106c14bb538c1c54 [1,1,0,0,0,0|1,0,0]=3 1903 B10R0.57 CCC(=O)C(C)OCC(=O)C a89a22e644bea2c751a6610805bb275e [1,1,0,0,0,0|2,0,0]=4 1904 B10R0.57 CCC(=O)C(C)OCC(=O)N f5e6be686c90e779ae1259ca3e8f5e49 [1,1,0,0,0,0|2,0,0]=4 1905 B10R0.57 CCC(=O)C(C)OCC(=O)O 6add7d5a6a8cd365874afabb99a0b004 [1,1,0,0,0,0|1,0,0]=3 1906 B10R0.57 CCC(=O)C(C)OCS(=O)O 0b3081b991b51bf00b458b87b525fb17 [1,1,0,0,0,0|2,0,0]=4 1907 B10R0.57 CCC(=O)N(C)CCC(=O)N 3793e2c9623686f23d20caf5e17721d7 [1,1,0,0,0,0|2,0,0]=4 1908 B10R0.57 CCN(C)C(C)CCC(=O)O dbfc94da7d5b3a246e07f66ccf8794d1 [1,1,0,0,0,0|2,0,0]=4 1909 B10R0.57 CNC(=O)C(C)NCC(=O)O 590ef8d9dc6c993ee95b0725487b76a6 [1,1,0,0,0,0|2,0,0]=4 1910 B10R0.57 COC(=O)C(C)OCC(=O)O 297431f31bb51602f2789967d9d7b820 [1,1,0,0,0,0|2,0,0]=4 1911 B10R0.57 COC(=O)[C@@H](C)OCC(=O)O 65d8007b3eb58f6a0835423b101e6c4a [1,1,0,0,0,0|2,0,0]=4 1912 B10R0.57 COC(=O)[C@H](C)OCC(=O)O 43d3711a6a8e4684c4e202f8c5823248 [1,1,0,0,0,0|2,0,0]=4 1913 B10R0.59 C=C(CC)CNCC(=O)NO 2d3620eb3c447eba4228ea1beb4564d9 [1,1,0,0,0,0|2,0,0]=4 1914 B10R0.59 C=C(CC)CNCC(=O)OC 7e251873a357a139cfbd5a60181728ca [1,1,0,0,0,0|2,0,0]=4 1915 B10R0.59 C=C(CC)COCC(=O)OC 43ad7cd5ed8780ecdea680cfda02a72d [1,1,0,0,0,0|2,0,0]=4 1916 B10R0.59 C=C(COCC(=O)CC)OC 809d45e1f11613542d8d00fe5585f8fd [1,1,0,0,0,0|2,0,0]=4 1917 B10R0.59 CCC(=O)CNCC(=O)NC d9d3c89f0d1f24910b34b88e8a166bf4 [1,1,0,0,0,0|2,0,0]=4 1918 B10R0.59 CCC(=O)CNCC(=O)NO 60b3fef08f13da50d74e98003d8ed18e [1,1,0,0,0,0|1,0,0]=3 1919 B10R0.59 CCC(=O)CNCC(=O)OC 083219050d8e82239a2fddcadd6c0720 [1,1,0,0,0,0|1,0,0]=3 1920 B10R0.59 CCC(=O)COCC(=O)CC 068aa2e340009b19dcd8b0bd382e1a2a [1,1,0,0,0,0|2,0,0]=4 1921 B10R0.59 CCC(=O)COCC(=O)NC 0f7861b090826c673337c47cf35dcec3 [1,1,0,0,0,0|2,0,0]=4 1922 B10R0.59 CCC(=O)COCC(=O)OC 614a959a5fde3afd190304a86ed99ce9 [1,1,0,0,0,0|1,0,0]=3 1923 B10R0.59 CCC(=O)NCCC(=O)NC 3c1d1327ffadafd9df877e2ca6ef713a [1,1,0,0,0,0|2,0,0]=4 1924 B10R0.59 CCC(=O)NCCC(=O)NO 195b08642ae74343f69a952e2195e671 [1,1,0,0,0,0|1,0,0]=3 1925 B10R0.59 CCC(=O)NCCC(=O)OC c3c200596bf6da23fbb6dbe7ad2831a6 [1,1,0,0,0,0|1,0,0]=3 1926 B10R0.59 CCN(C)CCCC(=O)OC 7a9dc44acbc2ecd0953e7ff36fb3188c [1,1,0,0,0,0|2,0,0]=4 1927 B10R0.59 CNC(=O)CCNC(=O)CO 40f420701890814214b0b997ebe41a43 [1,1,0,0,0,0|2,0,0]=4 1928 B10R0.59 CNC(=O)CNCC(=O)CO c08fae3212ff063d3e5c740ad2d3c0a1 [1,1,0,0,0,0|2,0,0]=4 1929 B10R0.59 CNC(=O)CNCC(=O)NO dc26154e9d1a21783a478a204b18a1e1 [1,1,0,0,0,0|2,0,0]=4 1930 B10R0.59 CNC(=O)CNCC(=O)OC 7db0f93d653df92a55be7d1f60e1cfdf [1,1,0,0,0,0|2,0,0]=4 1931 B10R0.59 CNC(=O)COCC(=O)OC 925d7f4bd357f0c3baba549bcf724f61 [1,1,0,0,0,0|2,0,0]=4 1932 B10R0.59 COC(=O)CCNC(=O)CF 40175b6e69e3d0aa225168617d9ad292 [1,1,0,0,0,0|2,0,0]=4 1933 B10R0.59 COC(=O)CCNC(=O)CO 64be008a52373d387f2ac8d00ad84b62 [1,1,0,0,0,0|2,0,0]=4 1934 B10R0.59 COC(=O)CCNC(=O)CS 82bcdfaa53b7a345c7fe169fbd4c8eb8 [1,1,0,0,0,0|2,0,0]=4 1935 B10R0.59 COC(=O)CNCC(=O)CO 392f1f4d37b8bbf403824a8985d06519 [1,1,0,0,0,0|2,0,0]=4 1936 B10R0.59 COC(=O)CNCC(=O)NO f9525da9a68ec9f59c4ad8b258416399 [1,1,0,0,0,0|2,0,0]=4 1937 B10R0.59 COC(=O)CNCC(=O)OC 8b113c2a92e9d7762638617b714c73d0 [1,1,0,0,0,0|2,0,0]=4 1938 B10R0.59 COC(=O)COCC(=O)OC da7cee3c53f95a4f62d2b3068edfad3f [1,1,0,0,0,0|2,0,0]=4 1939 B10R0.59 O=C(CCNC(=O)CF)NO 5da2ec55c1ddaa036f39e2a2ff7dd90e [1,1,0,0,0,0|2,0,0]=4 1940 B10R0.59 O=C(CCNC(=O)CO)NO 688e3d46a3bc1e7762fd05d507b85588 [1,1,0,0,0,0|2,0,0]=4 1941 B10R0.59 O=C(CCNC(=O)CS)NO 4a98fb6c560a7601fd450eaca59fc001 [1,1,0,0,0,0|2,0,0]=4 1942 B10R0.59 O=C(CO)CNCC(=O)NO 8d2008aa4d49597422705c628287fc20 [1,1,0,0,0,0|2,0,0]=4 1943 B10R0.60 CCC(=O)CNCS(=O)(=O)O 380645791d2f8c8071e900c67257cff2 [1,1,0,0,0,0|2,0,0]=4 1944 B10R0.60 CCC(=O)NCCS(=O)(=O)O e9731ebe92517bd1ad08eddf8d67eb57 [1,1,0,0,0,0|2,0,0]=4 1945 B10R0.77 CCC(C=O)NCCC(=O)O 0f4eb3e3eb4998b855d656dabd507c9d [1,1,0,0,0,0|1,0,1]=4 1946 B10R0.77 CCC(C=O)OCCC(=O)O 57d39abb2274127ba816826dbde7db21 [1,1,0,0,0,0|1,0,1]=4 1947 B10R0.82 C=C(CC)CNC(C)C(=O)O 29ad9a234b770516a65c579b9455fa5a [1,1,0,0,0,0|2,0,0]=4 1948 B10R0.82 C=C(CC)CNC(O)C(=O)O 68ad2f694a98a29654d0d353c0cd0a9a [1,1,0,0,0,0|2,0,0]=4 1949 B10R0.82 C=C(CC)CN[C@@H](C)C(=O)O 2190e1d0c4c54bc1a43e3aeb03670346 [1,1,0,0,0,0|2,0,0]=4 1950 B10R0.82 C=C(CC)CN[C@H](C)C(=O)O 2b0ba9c7f219442b6fc4feb93fa66208 [1,1,0,0,0,0|2,0,0]=4 1951 B10R0.82 CC(NCC(=O)CO)C(=O)O abf3245144be9d14f351db206f719f4f [1,1,0,0,0,0|2,0,0]=4 1952 B10R0.82 CCC(=O)CNC(C)C(=O)N a522cb49e717fe54b881427fc6ffdc78 [1,1,0,0,0,0|2,0,0]=4 1953 B10R0.82 CCC(=O)CNC(C)C(=O)O cdf370980b0768dbfdf2b57cdc924547 [1,1,0,0,0,0|1,0,0]=3 1954 B10R0.82 CCC(=O)CNC(O)C(=O)O b3d7a00e2d60c907bdc0e4a2913e8fc1 [1,1,0,0,0,0|1,0,0]=3 1955 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)N 9dcc1bf3e8032ab293115fea2fa68f79 [1,1,0,0,0,0|2,0,0]=4 1956 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O c72be75e5615d5d6e1405f2e481e534b [1,1,0,0,0,0|1,0,0]=3 1957 B10R0.82 CCC(=O)CN[C@H](C)C(=O)N fe5bdab23ddbf854b69d4a308ecddaeb [1,1,0,0,0,0|2,0,0]=4 1958 B10R0.82 CCC(=O)CN[C@H](C)C(=O)O fcd7351f41259c49ef2c2432f2bb2e2c [1,1,0,0,0,0|1,0,0]=3 1959 B10R0.82 CCC(=O)COC(C)C(=O)C b0eed41f255b0fe2dc0a5c0a791c1fcd [1,1,0,0,0,0|2,0,0]=4 1960 B10R0.82 CCC(=O)COC(C)C(=O)N 79299039a89fc28ea93d135679e25f23 [1,1,0,0,0,0|2,0,0]=4 1961 B10R0.82 CCC(=O)COC(C)C(=O)O 72bfdf8bf40e00fb34161f9bb90d0125 [1,1,0,0,0,0|1,0,0]=3 1962 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)N a92f720bb803970f656b16f2be2719d1 [1,1,0,0,0,0|2,0,0]=4 1963 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)O 58982e7cfc0b6d9f94947d132eaed862 [1,1,0,0,0,0|1,0,0]=3 1964 B10R0.82 CCC(=O)CO[C@H](C)C(=O)N 507f03af04af75dd03e74f2999acf578 [1,1,0,0,0,0|2,0,0]=4 1965 B10R0.82 CCC(=O)CO[C@H](C)C(=O)O d48fb54907296d2c72477ff2d32b98d1 [1,1,0,0,0,0|1,0,0]=3 1966 B10R0.82 CNC(=O)CNC(C)C(=O)O 6073785dcde2dda87c16d4913f1760aa [1,1,0,0,0,0|2,0,0]=4 1967 B10R0.82 CNC(=O)CNC(O)C(=O)O f2867acff73909c81b49b9e2166c1353 [1,1,0,0,0,0|2,0,0]=4 1968 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 5432bc9416d5badf38d006b8e1b21a9f [1,1,0,0,0,0|2,0,0]=4 1969 B10R0.82 CNC(=O)CN[C@H](C)C(=O)O 5f6dc2815135d3f26dc273b1af32dd97 [1,1,0,0,0,0|2,0,0]=4 1970 B10R0.82 CNC(=O)COC(C)C(=O)O b9bbbff3840cac1cbab861e8d2316b24 [1,1,0,0,0,0|2,0,0]=4 1971 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)O dbedab8324151e169ba41f08598bb94d [1,1,0,0,0,0|2,0,0]=4 1972 B10R0.82 CNC(=O)CO[C@H](C)C(=O)O e91f6b698ad3e17507eb57b4e60ddd3f [1,1,0,0,0,0|2,0,0]=4 1973 B10R0.82 COC(=O)CNC(C)C(=O)O 2b8ea7bcf5edc6871e04a6944a9eb704 [1,1,0,0,0,0|2,0,0]=4 1974 B10R0.82 COC(=O)CNC(O)C(=O)O 2e6139771a26de260004a291432c1c6e [1,1,0,0,0,0|2,0,0]=4 1975 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 78d63e99478d20a9d5c26b5ce39e0822 [1,1,0,0,0,0|2,0,0]=4 1976 B10R0.82 COC(=O)CN[C@H](C)C(=O)O 64e1d1b4c05d6414ca675c06139349cf [1,1,0,0,0,0|2,0,0]=4 1977 B10R0.82 COC(=O)COC(C)C(=O)O 25f93c3513e5ba6fe88733186a7bb9a6 [1,1,0,0,0,0|2,0,0]=4 1978 B10R0.82 COC(=O)CO[C@@H](C)C(=O)O 787aeb4c4b45533e468e4658c10fa0d4 [1,1,0,0,0,0|2,0,0]=4 1979 B10R0.82 COC(=O)CO[C@H](C)C(=O)O aa2036d3a796ee8cb318fe6f329b93dd [1,1,0,0,0,0|2,0,0]=4 1980 B10R0.82 C[C@@H](NCC(=O)CO)C(=O)O 46efafa7a141ca392fe536de28bb21f5 [1,1,0,0,0,0|2,0,0]=4 1981 B10R0.82 C[C@H](NCC(=O)CO)C(=O)O 46c25b0052c3a05ce0f570c13381ac4b [1,1,0,0,0,0|2,0,0]=4 1982 B10R0.82 O=C(CO)CNC(O)C(=O)O 58517e5ae5bb8cb51c98cd3ff98bbeab [1,1,0,0,0,0|2,0,0]=4 1983 B10R0.98 CC(=O)C(=O)CNCC(=O)O 1e1e2f13a7f6b40583219593ab44a3b7 [1,1,0,0,0,0|1,0,1]=4 1984 B10R0.98 CC(=O)C(=O)COCC(=O)O 37c6f3dfac2b7162c957a23375ecef20 [1,1,0,0,0,0|1,0,1]=4 1985 B10R0.98 CC(=O)CNCC(=O)C(C)C f8f040c17bf6f650121594c0ae019854 [1,1,0,0,0,0|2,0,0]=4 1986 B10R0.98 CC(=O)COCC(=O)C(C)C ea67094ab6face0132ed64e89e822b39 [1,1,0,0,0,0|2,0,0]=4 1987 B10R0.98 CC(C)C(=O)CNCC(=O)N 219f2a2ec1416e71bd68b24ba3077ef5 [1,1,0,0,0,0|2,0,0]=4 1988 B10R0.98 CC(C)C(=O)CNCC(=O)O 8ed5b3370ff7d5dbd3c0423e8479d275 [1,1,0,0,0,0|1,0,0]=3 1989 B10R0.98 CC(C)C(=O)COCC(=O)N eb2cff37a8fdfe73779433ff49ec94e8 [1,1,0,0,0,0|2,0,0]=4 1990 B10R0.98 CC(C)C(=O)COCC(=O)O 1655cfb509453ac94e8240636a508fab [1,1,0,0,0,0|1,0,0]=3 1991 B10R0.98 CC(C)C(=O)COCS(=O)O 9bcd42f6092669858b4f29c2b17e8643 [1,1,0,0,0,0|2,0,0]=4 1992 B10R0.98 CC(C)N(C)CCCC(=O)O 4a2a59246932c6fdfbfeb58d65ac881d [1,1,0,0,0,0|2,0,0]=4 1993 B10R0.98 CC(F)C(=O)NCCC(=O)N 07765a3f85c95843532e85f3374da6aa [1,1,0,0,0,0|2,0,0]=4 1994 B10R0.98 CC(F)C(=O)NCCS(=O)O 4b75f5ca931cd734ca35e8449add5efc [1,1,0,0,0,0|2,0,0]=4 1995 B10R0.98 CC(O)C(=O)NCCC(=O)N f619f6f8b12388c029bc23cf78e824bf [1,1,0,0,0,0|2,0,0]=4 1996 B10R0.98 CC(O)C(=O)NCCS(=O)O 7fbd13ddf5f2e34d6aec93fe4a85442a [1,1,0,0,0,0|2,0,0]=4 1997 B10R0.98 CC(S)C(=O)NCCC(=O)N 69dcf83015273436d09b7ea976f702cf [1,1,0,0,0,0|2,0,0]=4 1998 B10R0.98 CC(S)C(=O)NCCS(=O)O dd54e08ee96f6eafabe27b35034c2104 [1,1,0,0,0,0|2,0,0]=4 1999 B10R0.98 CN(C)C(=O)CNCC(=O)O 934b17b8a59a2a28f88be55ed5f5e7c9 [1,1,0,0,0,0|2,0,0]=4 2000 B10R0.98 CN(C)C(=O)COCC(=O)O 9349178c193381d5066d367483b4386b [1,1,0,0,0,0|2,0,0]=4 2001 B10R0.98 C[C@@H](F)C(=O)NCCC(=O)N 6f65b14e28a87a8751dae12bf3496033 [1,1,0,0,0,0|2,0,0]=4 2002 B10R0.98 C[C@@H](F)C(=O)NCCS(=O)O 63fa586b19f3f3353509c23288cd3b5e [1,1,0,0,0,0|2,0,0]=4 2003 B10R0.98 C[C@@H](O)C(=O)NCCC(=O)N 0416f2c8ec7217c73609f52f515f3b3c [1,1,0,0,0,0|2,0,0]=4 2004 B10R0.98 C[C@@H](O)C(=O)NCCS(=O)O ccf87dd4be5a4d7497fe04f8727093f8 [1,1,0,0,0,0|2,0,0]=4 2005 B10R0.98 C[C@H](F)C(=O)NCCC(=O)N 25152f1cd99c7dbe68dab9a8b093faa8 [1,1,0,0,0,0|2,0,0]=4 2006 B10R0.98 C[C@H](F)C(=O)NCCS(=O)O 028fb5c629937277d6e9ba2c6ec2bd9b [1,1,0,0,0,0|2,0,0]=4 2007 B10R0.98 C[C@H](O)C(=O)NCCC(=O)N e01d6bd5465820ad584441649f9a8e7a [1,1,0,0,0,0|2,0,0]=4 2008 B10R0.98 C[C@H](O)C(=O)NCCS(=O)O 96fce4017214419e2a000f2bb1551c6f [1,1,0,0,0,0|2,0,0]=4 2009 B10R0.4 C#CCCNCCCC(=O)O 98b54ed437e79d33704ab26e28ebc0dd [1,1,0,0,0,0|1,0,1]=4 2010 B10R0.4 C#CCCOCCCC(=O)O a28174cefe569d9e990ac22fc9d3ad0e [1,1,0,0,0,0|1,0,1]=4 2011 B10R0.4 C/C=C/CNCCCC(=O)O 13ef2ccb4733ce0119a0b85ad92302d4 [1,1,0,0,0,0|1,0,1]=4 2012 B10R0.4 C/C=C/COCCCC(=O)O 797b589f4ff59b345d64adc4a9453f4d [1,1,0,0,0,0|1,0,1]=4 2013 B10R0.4 C/C=C\CNCCCC(=O)O 5654bb2e955ab88d7e5c4af35c7daf9b [1,1,0,0,0,0|1,0,1]=4 2014 B10R0.4 C/C=C\COCCCC(=O)O 7adc08223c1d3f0b55e4c481022d842b [1,1,0,0,0,0|1,0,1]=4 2015 B10R0.4 C=CCCNCCCC(=O)O da3b42b51cbf87e7b2494d17b8ac7f6f [1,1,0,0,0,0|1,0,1]=4 2016 B10R0.4 C=CCCOCCCC(=O)O 43c029708142e3a5ef8331e455444c11 [1,1,0,0,0,0|1,0,1]=4 2017 B10R0.4 CC(=O)CCCNCCCCl f1625dacee073cbb4f019dbe32494f50 [1,1,0,0,0,0|2,0,0]=4 2018 B10R0.4 CC(=O)CCCNCCCO 8b11019ccb106855d75ac6c8c4c3fe63 [1,1,0,0,0,0|2,0,0]=4 2019 B10R0.4 CC(=O)CCCOCCCF e44a9d620794f28a8e038989a8cb2ae7 [1,1,0,0,0,0|2,0,0]=4 2020 B10R0.4 CC(=O)CCCOCCCS 224ce1d62cb0cc546747e7754a42aa6c [1,1,0,0,0,0|2,0,0]=4 2021 B10R0.4 CC/C=C/CCOCC(=O)N d1421ab41ec4e67e7439f8e61270bde8 [1,1,0,0,0,0|1,0,1]=4 2022 B10R0.4 CC/C=C/CCOCC(=O)O d3d91f905900557afa774e13b9df6026 [1,1,0,0,0,0|0,0,1]=3 2023 B10R0.4 CC/C=C/CNCCC(=O)N 6cb2c917d5af9bf377035843a4695253 [1,1,0,0,0,0|1,0,1]=4 2024 B10R0.4 CC/C=C/CNCCC(=O)O f46933b8a0cdc6ec2c9ac3cc8433f0e6 [1,1,0,0,0,0|0,0,1]=3 2025 B10R0.4 CC/C=C/CNCCS(=O)O 74ab818661eb1f1b254e518a72102fb7 [1,1,0,0,0,0|1,0,1]=4 2026 B10R0.4 CC/C=C/COCCC(=O)C 2dc1865446afb33ed37e07b902852ecb [1,1,0,0,0,0|1,0,1]=4 2027 B10R0.4 CC/C=C/COCCC(=O)N 4fa9c4b7b421d0801a468b189f9f35b7 [1,1,0,0,0,0|1,0,1]=4 2028 B10R0.4 CC/C=C/COCCC(=O)O bc21ad1147514419b82e1623220c1d48 [1,1,0,0,0,0|0,0,1]=3 2029 B10R0.4 CC/C=C\CCNCC(=O)C 674bd22b0cd010d41d505c09d41c180d [1,1,0,0,0,0|1,0,1]=4 2030 B10R0.4 CC/C=C\CCNCC(=O)N ddeb73805c89bf3dea86451f0dd78f30 [1,1,0,0,0,0|1,0,1]=4 2031 B10R0.4 CC/C=C\CCNCC(=O)O cbcffdadc0ca4c78c680764fb8ad852e [1,1,0,0,0,0|0,0,1]=3 2032 B10R0.4 CC/C=C\CCOCC(=O)C db3103c50306a75ddf1da7bcd896a8bc [1,1,0,0,0,0|1,0,1]=4 2033 B10R0.4 CC/C=C\CCOCC(=O)N f4348407fd1dd2efaaa1a2e2a4bab226 [1,1,0,0,0,0|1,0,1]=4 2034 B10R0.4 CC/C=C\CCOCC(=O)O 2cec0b1c660697fcd461620b82c4e65a [1,1,0,0,0,0|0,0,1]=3 2035 B10R0.4 CC/C=C\CCOCS(=O)O a8b65a3ef3bf19a062220b0cf61fba73 [1,1,0,0,0,0|1,0,1]=4 2036 B10R0.4 CC/C=C\COCCC(=O)C 04919423a318ab1488e818904079b6e6 [1,1,0,0,0,0|1,0,1]=4 2037 B10R0.4 CC/C=C\COCCC(=O)N fb8867835b1e74ce8448d8ae5631dce1 [1,1,0,0,0,0|1,0,1]=4 2038 B10R0.4 CC/C=C\COCCC(=O)O dfb691c23445a1d9807090e9e95064da [1,1,0,0,0,0|0,0,1]=3 2039 B10R0.4 CC=C=CCCOCC(=O)O 0a8d160d61785fd5ac9c1a6498cf73ce [1,1,0,0,0,0|0,0,2]=4 2040 B10R0.4 CC=CCNCCCC(=O)O 8df01a8428c77adf160d0ed2cf7f78d3 [1,1,0,0,0,0|1,0,1]=4 2041 B10R0.4 CC=CCOCCCC(=O)O fe986269b6907663d554820fb9f32f8e [1,1,0,0,0,0|1,0,1]=4 2042 B10R0.4 CCC#CCCOCC(=O)O 9a6310bfcfd292d4532f447a214df326 [1,1,0,0,0,0|0,0,2]=4 2043 B10R0.4 CCC#CCOCCC(=O)O 75768181b61be90473cf0be9a0f219b7 [1,1,0,0,0,0|0,0,2]=4 2044 B10R0.4 CCC/C=C/CNCC(=O)C 83412db4e188a90de018ccffc17822f0 [1,1,0,0,0,0|1,0,1]=4 2045 B10R0.4 CCC/C=C/CNCC(=O)N 6ff8ed2dae1af1a7a2c7971fca4b3618 [1,1,0,0,0,0|1,0,1]=4 2046 B10R0.4 CCC/C=C/CNCC(=O)O d333e5f143db479d98cf398543834293 [1,1,0,0,0,0|0,0,1]=3 2047 B10R0.4 CCC/C=C/COCC(=O)C 51ecfd1ad2b1b3230afe1a67b7017270 [1,1,0,0,0,0|1,0,1]=4 2048 B10R0.4 CCC/C=C/COCC(=O)N 99053f82e8417b5a8f52e09679b48b3e [1,1,0,0,0,0|1,0,1]=4 2049 B10R0.4 CCC/C=C/COCC(=O)O 72aab2c6b05e394fdc94d7b08198a96f [1,1,0,0,0,0|0,0,1]=3 2050 B10R0.4 CCC/C=C/COCS(=O)O 05f3cfcdd1baf5bd61bf05652f5d7f05 [1,1,0,0,0,0|1,0,1]=4 2051 B10R0.4 CCC/C=C\CNCC(=O)C c564a810aec1964074ebad48d376fd75 [1,1,0,0,0,0|1,0,1]=4 2052 B10R0.4 CCC/C=C\CNCC(=O)N 31518d996916ff257507c68c01a41110 [1,1,0,0,0,0|1,0,1]=4 2053 B10R0.4 CCC/C=C\CNCC(=O)O d0f8354af0548992aeb3cd8704b042da [1,1,0,0,0,0|0,0,1]=3 2054 B10R0.4 CCC/C=C\COCC(=O)C c725377077d9bfe08c0fd8002d9d607d [1,1,0,0,0,0|1,0,1]=4 2055 B10R0.4 CCC/C=C\COCC(=O)N 2c3401af78beb5f6cfc16e08d45ebabc [1,1,0,0,0,0|1,0,1]=4 2056 B10R0.4 CCC/C=C\COCC(=O)O 34e137c4a3c55da23e210818c1ae134e [1,1,0,0,0,0|0,0,1]=3 2057 B10R0.4 CCC/C=C\COCS(=O)O ecd6bfa6afd7530e6d9adcf1a42e4196 [1,1,0,0,0,0|1,0,1]=4 2058 B10R0.4 CCCC#CCOCC(=O)O 73563ca30f87abc33eb077bf6f4b8dcb [1,1,0,0,0,0|0,0,2]=4 2059 B10R0.4 CCCCCCCNC(=O)C 7ff946498704aad8136855c3c0214f94 [1,1,0,0,0,0|1,0,1]=4 2060 B10R0.4 CCCCCCNCC(=O)C e3842b8fd2cae14899e78886113beba0 [1,1,0,0,0,0|1,0,1]=4 2061 B10R0.4 CCCCCCNCC(=O)N 3fae3fcfcc109d047ed465f3e2b847e2 [1,1,0,0,0,0|1,0,1]=4 2062 B10R0.4 CCCCCCNCC(=O)O fb02da52628d24bba2741502ccbc57e6 [1,1,0,0,0,0|0,0,1]=3 2063 B10R0.4 CCCCCCOCC(=O)C c622979e72a3edd318802db3f6123eee [1,1,0,0,0,0|1,0,1]=4 2064 B10R0.4 CCCCCCOCC(=O)N 9c51cacea528460eb1c6e4fbed6a2905 [1,1,0,0,0,0|1,0,1]=4 2065 B10R0.4 CCCCCCOCC(=O)O d5f902343f3fbf5baaa362a21e128151 [1,1,0,0,0,0|0,0,1]=3 2066 B10R0.4 CCCCCCOCS(=O)O 2b6780218bd3498af4d92344e34b6465 [1,1,0,0,0,0|1,0,1]=4 2067 B10R0.4 CCCCCNCCC(=O)C 2bb7295af3afb64defefb63687bea421 [1,1,0,0,0,0|1,0,1]=4 2068 B10R0.4 CCCCCNCCC(=O)N da2ae5cebf00ff2bc6648f8e9deea068 [1,1,0,0,0,0|1,0,1]=4 2069 B10R0.4 CCCCCNCCC(=O)O c651e7e992c1332ced5d27852e6267f0 [1,1,0,0,0,0|0,0,1]=3 2070 B10R0.4 CCCCCNCCS(=O)O 40a9496c737aacfd55e5b85a03b28772 [1,1,0,0,0,0|1,0,1]=4 2071 B10R0.4 CCCCCOCCC(=O)C 7d336bbb7dc5619074d320d9d5eeebd1 [1,1,0,0,0,0|1,0,1]=4 2072 B10R0.4 CCCCCOCCC(=O)N 3ccf202c6633a29591d963976a663b22 [1,1,0,0,0,0|1,0,1]=4 2073 B10R0.4 CCCCCOCCC(=O)O 183ac3fdf6b059104c4c0237bab12aa8 [1,1,0,0,0,0|0,0,1]=3 2074 B10R0.4 CCCCNCCCC(=O)C a2bda33665ed49237506dfdf7a5fb684 [1,1,0,0,0,0|1,0,1]=4 2075 B10R0.4 CCCCNCCCC(=O)N 87f3fa3fa2631822b8cd0b48fa13e9d9 [1,1,0,0,0,0|1,0,1]=4 2076 B10R0.4 CCCCNCCCC(=O)O 638f7b21d5bd5641b607514c8fb8caf4 [1,1,0,0,0,0|0,0,1]=3 2077 B10R0.4 CCCCOCCCC(=O)C f0df1029dafc15690be3f3c094f0ad8e [1,1,0,0,0,0|1,0,1]=4 2078 B10R0.4 CCCCOCCCC(=O)N 4bd9e362912f487ea2067ef12f3cd6d1 [1,1,0,0,0,0|1,0,1]=4 2079 B10R0.4 CCCCOCNCC(=O)O fd1573ef0e57ade41e912b86193789e2 [1,1,0,0,0,0|1,0,1]=4 2080 B10R0.4 CCCCOCOCC(=O)O 44a077c696800f20f8f77d9f489d7e0a [1,1,0,0,0,0|1,0,1]=4 2081 B10R0.4 CCCNCCCCC(=O)C ab2c95adbd41ecce6f11ada83f1aa463 [1,1,0,0,0,0|1,0,1]=4 2082 B10R0.4 CCCNCCCCC(=O)N e1e10e2e68cec95857cb4c3cfc282eaf [1,1,0,0,0,0|1,0,1]=4 2083 B10R0.4 CCCNCCCCC(=O)O d7ced2df62e692539bca6ff33ab8a797 [1,1,0,0,0,0|0,0,1]=3 2084 B10R0.4 CCCNCCCNC(=O)C 889a8f130116f443d6fd6e1232ef1497 [1,1,0,0,0,0|2,0,0]=4 2085 B10R0.4 CCCNCCCOC(=O)C e1cec712d82f801a0d54d1944e98e203 [1,1,0,0,0,0|2,0,0]=4 2086 B10R0.4 CCCNCCCSC(=O)C 2889b29bc4848ab93d3dd022a17fab90 [1,1,0,0,0,0|2,0,0]=4 2087 B10R0.4 CCCNCCOCC(=O)N 55e2f24709483252c53a6fbd0fb9b0cc [1,1,0,0,0,0|2,0,0]=4 2088 B10R0.4 CCCNCCOCC(=O)O 6a2b5a7e2d583d3c6ba150b8c3cc16e1 [1,1,0,0,0,0|1,0,0]=3 2089 B10R0.4 CCCNCCSCC(=O)O 94cff0686c4de2d0110011adc5739807 [1,1,0,0,0,0|1,0,0]=3 2090 B10R0.4 CCCOCCC#CC(=O)O f4d5055400d31c308ce57b5764e65d8e [1,1,0,0,0,0|1,0,1]=4 2091 B10R0.4 CCCOCCCCC(=O)C fd3e516a01dea40bc28ef8e85abe7b9e [1,1,0,0,0,0|1,0,1]=4 2092 B10R0.4 CCCOCCCCC(=O)N 40ac037ce19926aee318707e134df4d3 [1,1,0,0,0,0|1,0,1]=4 2093 B10R0.4 CCCOCCCCC(=O)O b2ac1b83aca818e80a2df2f954405a9e [1,1,0,0,0,0|0,0,1]=3 2094 B10R0.4 CCCOCCCNC(=O)C 7a5b85034a356fda536fac05ed90cc22 [1,1,0,0,0,0|2,0,0]=4 2095 B10R0.4 CCCOCCCOC(=O)C a4e530952a94d07d0a2346bd1f1072e5 [1,1,0,0,0,0|2,0,0]=4 2096 B10R0.4 CCCOCCCSC(=O)C 79a61e06633112b372a67f8d0e405976 [1,1,0,0,0,0|2,0,0]=4 2097 B10R0.4 CCCOCCNCC(=O)C ca708ee5deb46f0d1f0948a3a215a9a0 [1,1,0,0,0,0|2,0,0]=4 2098 B10R0.4 CCCOCCNCC(=O)N 499e078e27ce3bb485f1b0506d848c22 [1,1,0,0,0,0|2,0,0]=4 2099 B10R0.4 CCCOCCNCC(=O)O 9f97370ef19b48f601d53c72298be028 [1,1,0,0,0,0|1,0,0]=3 2100 B10R0.4 CCCOCCOCC(=O)C 8a0436c09947b0d42e02b341d19a096c [1,1,0,0,0,0|2,0,0]=4 2101 B10R0.4 CCCOCCOCC(=O)N 3866f23c4fa43d0a1bf33adf8a9fdb4c [1,1,0,0,0,0|2,0,0]=4 2102 B10R0.4 CCCOCCOCC(=O)O c681b062af673d5355b0c992bcf9a03b [1,1,0,0,0,0|1,0,0]=3 2103 B10R0.4 CCCOCCOCS(=O)O 641ce035092cbb18e98331d2c45bc1fa [1,1,0,0,0,0|2,0,0]=4 2104 B10R0.4 CCCOCCSCC(=O)N bc153a2b3523cf3bf07bbcd570f99185 [1,1,0,0,0,0|2,0,0]=4 2105 B10R0.4 CCCSCCOCC(=O)N 7023129cea31bb4e24776462cec680cf [1,1,0,0,0,0|2,0,0]=4 2106 B10R0.4 CCCSCCOCC(=O)O f1f74803f7accfdcb460a94fed60dea0 [1,1,0,0,0,0|1,0,0]=3 2107 B10R0.4 CCNCCCCCC(=O)N 7e47cb6936cef048a9728be65f4ed153 [1,1,0,0,0,0|1,0,1]=4 2108 B10R0.4 CCNCCCCCC(=O)O 656d004177b3de742f8798a032b0925d [1,1,0,0,0,0|0,0,1]=3 2109 B10R0.4 CCNCCOCCC(=O)O 8d7e5678fe9a8ff06a1e01887f882b5a [1,1,0,0,0,0|1,0,1]=4 2110 B10R0.4 CCOCCCCCC(=O)N 6f015e258b6f4d9a91ad4bf4c5e0b833 [1,1,0,0,0,0|1,0,1]=4 2111 B10R0.4 CCOCCCCCC(=O)O 8d0433351c28cc9400e6f6da602a903d [1,1,0,0,0,0|0,0,1]=3 2112 B10R0.4 CCOCCCNCC(=O)O 682f6d420ba5c774818f236d90f0fb13 [1,1,0,0,0,0|1,0,1]=4 2113 B10R0.4 CCOCCCOCC(=O)O 2de1613f4b1376069d28111d2a4e00b4 [1,1,0,0,0,0|1,0,1]=4 2114 B10R0.4 CCOCCNCCC(=O)O ff34e42923fba256fb9a0dd7fcb988eb [1,1,0,0,0,0|1,0,1]=4 2115 B10R0.4 CCOCCOCCC(=O)O 96b40bef50a9547a8511d5d75c98b3cd [1,1,0,0,0,0|1,0,1]=4 2116 B10R0.4 CCOCNCCCC(=O)N 5c6b8bd80d092c52353cc7cbafb7c046 [1,1,0,0,0,0|2,0,0]=4 2117 B10R0.4 CCOCNCCCC(=O)O de9a120840675433ed34e7d1ceef9f57 [1,1,0,0,0,0|1,0,0]=3 2118 B10R0.4 CCSCCCNCC(=O)O 4844b03ae0e8362029b66cb17ab7da38 [1,1,0,0,0,0|1,0,1]=4 2119 B10R0.4 CCSCCCOCC(=O)O 40fb12fd65694580de8c81fcc6657b85 [1,1,0,0,0,0|1,0,1]=4 2120 B10R0.4 CCSCCNCCC(=O)O 8a1f405a9850c68a6f54d79446f1ff8f [1,1,0,0,0,0|1,0,1]=4 2121 B10R0.4 CCSCCOCCC(=O)O 547cb9bae4885e95f673de9975307679 [1,1,0,0,0,0|1,0,1]=4 2122 B10R0.4 COCCCCNCC(=O)O e7016d96fdd719c414f251fdf8041599 [1,1,0,0,0,0|1,0,1]=4 2123 B10R0.4 COCCCCOCC(=O)O c66cf56e8604e7dab5e9dc4c5dc31662 [1,1,0,0,0,0|1,0,1]=4 2124 B10R0.4 COCCCNCCC(=O)O 5acb8958d3874c29f59ad4b29733fb60 [1,1,0,0,0,0|1,0,1]=4 2125 B10R0.4 COCCCOCCC(=O)O d4eb4dab6784cb2fb1076332406f0b6e [1,1,0,0,0,0|1,0,1]=4 2126 B10R0.4 COCCNCCCC(=O)C 55f45a09a65d1215663de3b544f7bffa [1,1,0,0,0,0|2,0,0]=4 2127 B10R0.4 COCCNCCCC(=O)N 3366a20ef5f34fb858c3abad3caa2a69 [1,1,0,0,0,0|2,0,0]=4 2128 B10R0.4 COCCNCCCC(=O)O 80c02cc92019d5cbde133d36aaa74f6c [1,1,0,0,0,0|1,0,0]=3 2129 B10R0.4 COCCOCCCC(=O)C 814d4c7715849242ef07ecf4e095ea3c [1,1,0,0,0,0|2,0,0]=4 2130 B10R0.4 COCCOCCCC(=O)N bba16ea9a96393ace4cf5b7a8814abe8 [1,1,0,0,0,0|2,0,0]=4 2131 B10R0.4 COCCOCCCC(=O)O 72bf5da1d6d66c17ef3fa61bc44b144e [1,1,0,0,0,0|1,0,0]=3 2132 B10R0.4 COCCOCNCC(=O)O cd266e853014bc3bf1df1688ada37b80 [1,1,0,0,0,0|2,0,0]=4 2133 B10R0.4 COCCOCOCC(=O)O 33e2dc082653111369a9ebb0f3dd1517 [1,1,0,0,0,0|2,0,0]=4 2134 B10R0.4 COCNCCCCC(=O)O ab3a9a9d4707dc728acea20d8c742102 [1,1,0,0,0,0|1,0,1]=4 2135 B10R0.4 COCNCCOCC(=O)O 6547e77a18253d21f97f7a9f8e829291 [1,1,0,0,0,0|2,0,0]=4 2136 B10R0.4 COCNCCSCC(=O)O 111b0bec8abf6ce7a99b740e747e3a45 [1,1,0,0,0,0|2,0,0]=4 2137 B10R0.4 COCOCCCCC(=O)O 1b557b71d3e61c8258a3d16cc8108d48 [1,1,0,0,0,0|1,0,1]=4 2138 B10R0.4 COCOCCNCC(=O)O dff72b6a005901315460df825cad1590 [1,1,0,0,0,0|2,0,0]=4 2139 B10R0.4 COCOCCOCC(=O)O dbe7814731404918520e20e0c8a9d8a0 [1,1,0,0,0,0|2,0,0]=4 2140 B10R0.4 CSCCCCNCC(=O)O fe5f17285810fe796abbdf4483e3c94f [1,1,0,0,0,0|1,0,1]=4 2141 B10R0.4 CSCCCCOCC(=O)O 6959643b4f26b002ad25adcfb835b476 [1,1,0,0,0,0|1,0,1]=4 2142 B10R0.4 CSCCCNCCC(=O)O ebcd26378cbdddef3de03c919f85430a [1,1,0,0,0,0|1,0,1]=4 2143 B10R0.4 CSCCCOCCC(=O)O 6b3756b593022d7d702b5e676fa25b5e [1,1,0,0,0,0|1,0,1]=4 2144 B10R0.4 CSCCNCCCC(=O)C b0f651d6cbd97ab9c605588c785a7c5a [1,1,0,0,0,0|2,0,0]=4 2145 B10R0.4 CSCCNCCCC(=O)N 27ccd8f61ba2aae2586ac16dceba42a9 [1,1,0,0,0,0|2,0,0]=4 2146 B10R0.4 CSCCNCCCC(=O)O 984273bed5ff75481a174286557b4f00 [1,1,0,0,0,0|1,0,0]=3 2147 B10R0.4 CSCCOCCCC(=O)C 5d591b5d8c802d0c0b966c0d6518b21f [1,1,0,0,0,0|2,0,0]=4 2148 B10R0.4 CSCCOCCCC(=O)N ee1765b132a381372bb1ce4a23f31025 [1,1,0,0,0,0|2,0,0]=4 2149 B10R0.4 CSCCOCCCC(=O)O 2169ad430e54ba0fc625bece4160068c [1,1,0,0,0,0|1,0,0]=3 2150 B10R0.4 CSCNCCCCC(=O)O 5ded596d0e21db27702f9a71836c5d08 [1,1,0,0,0,0|1,0,1]=4 2151 B10R0.4 CSCNCCOCC(=O)O 9dde45d19d97a6d2f21ba3253fd6431d [1,1,0,0,0,0|2,0,0]=4 2152 B10R0.4 CSCNCCSCC(=O)O 99b5c3e65296e6ad64480ff1c9b17a6c [1,1,0,0,0,0|2,0,0]=4 2153 B10R0.4 CSCOCCCCC(=O)O 6c17dfeb22841c97ecacc91dd0ab17dc [1,1,0,0,0,0|1,0,1]=4 2154 B10R0.4 CSCOCCOCC(=O)O ea88c1837b26f67820b4a9f2fc3636a4 [1,1,0,0,0,0|2,0,0]=4 2155 B10R0.4 N#CCCNCCCC(=O)O 5e132e7a513138323d64283138c29b14 [1,1,0,0,0,0|1,0,1]=4 2156 B10R0.4 N#CCCOCCCC(=O)O 90ef89a682d420686cb1b578ace69e00 [1,1,0,0,0,0|1,0,1]=4 2157 B10R0.4 NC(=O)CCCNCCCCl b7463b528e977373efeab5bccf8216e8 [1,1,0,0,0,0|2,0,0]=4 2158 B10R0.4 NC(=O)CCCNCCCF beb6d533f51a08fb33d14624b0e967c0 [1,1,0,0,0,0|2,0,0]=4 2159 B10R0.4 NC(=O)CCCNCCCO b5e570a09bf7ce0f6958f6cf24cea4bf [1,1,0,0,0,0|2,0,0]=4 2160 B10R0.4 NC(=O)CCCNCCCS c06946ab4df4cd892041c2dcfa32b5ce [1,1,0,0,0,0|2,0,0]=4 2161 B10R0.4 NC(=O)CCCOCCCF 5dc0e0365cec6a86ae412df215c6ec75 [1,1,0,0,0,0|2,0,0]=4 2162 B10R0.4 NC(=O)CCCOCCCS da597ec925c094b7920b8d33c7a6d48b [1,1,0,0,0,0|2,0,0]=4 2163 B10R0.4 O=C(O)CCCCCNCF 5010e9049fecfa0377d660157cc67715 [1,1,0,0,0,0|1,0,1]=4 2164 B10R0.4 O=C(O)CCCCCNCO 9f006abe272dfebb9f21f85b4e25f481 [1,1,0,0,0,0|1,0,1]=4 2165 B10R0.4 O=C(O)CCCCCOCF 71f72a753ed44d8087f81d2f875fc41b [1,1,0,0,0,0|1,0,1]=4 2166 B10R0.4 O=C(O)CCCCNCCF aa510449750017f96f3f1d1804b3727d [1,1,0,0,0,0|1,0,1]=4 2167 B10R0.4 O=C(O)CCCCNCCI 0252ad0383162f9fa94cd74a1313364e [1,1,0,0,0,0|1,0,1]=4 2168 B10R0.4 O=C(O)CCCCNCCO 278650aa09a4063af47118a1fddf5afa [1,1,0,0,0,0|1,0,1]=4 2169 B10R0.4 O=C(O)CCCCNCCS b836a13534f967d6f1dddb4786cb91a3 [1,1,0,0,0,0|1,0,1]=4 2170 B10R0.4 O=C(O)CCCCOCCF e9c9bf004bced3e5d4d08ac016f5c678 [1,1,0,0,0,0|1,0,1]=4 2171 B10R0.4 O=C(O)CCCCOCCS e9bbc58a5b43da00330d5dac53c10e5b [1,1,0,0,0,0|1,0,1]=4 2172 B10R0.4 O=C(O)CCCNCCCCl e7a82f437ef7ce7c511305c3bebf2ef2 [1,1,0,0,0,0|1,0,0]=3 2173 B10R0.4 O=C(O)CCCNCCCF 3c12d664e7366df0bac8121fcdb32907 [1,1,0,0,0,0|1,0,0]=3 2174 B10R0.4 O=C(O)CCCNCCCO 9a5e0cfff3cc3bd220fe4c019937f745 [1,1,0,0,0,0|1,0,0]=3 2175 B10R0.4 O=C(O)CCCOCCCF ef86cc67ffb85fea8a2e23ffd0be7146 [1,1,0,0,0,0|1,0,0]=3 2176 B10R0.4 O=C(O)CCNCCCCCl 15c8dbba8e6f22b07523ac4d29cb0ac3 [1,1,0,0,0,0|1,0,1]=4 2177 B10R0.4 O=C(O)CCNCCCCF f5d00c625d661c736577c0dc3ba36014 [1,1,0,0,0,0|1,0,1]=4 2178 B10R0.4 O=C(O)CCNCCCCO 1717076d72b743c651a0c543e687abfd [1,1,0,0,0,0|1,0,1]=4 2179 B10R0.4 O=C(O)CCNCCCCS 49b25c5bdb84f91f3248e476108ccc79 [1,1,0,0,0,0|1,0,1]=4 2180 B10R0.4 O=C(O)CCOCCCCF f1aba4d0fec36c39af00cdd25995f36c [1,1,0,0,0,0|1,0,1]=4 2181 B10R0.4 O=C(O)CCOCCCCS f440f233d2be0718d562a00417942445 [1,1,0,0,0,0|1,0,1]=4 2182 B10R0.4 O=C(O)CNCCCCCCl a83b6bb993dd65ffba33eb2586cdf494 [1,1,0,0,0,0|1,0,1]=4 2183 B10R0.4 O=C(O)CNCCCCCF 4dbeaa853a61d08f169520460ad25911 [1,1,0,0,0,0|1,0,1]=4 2184 B10R0.4 O=C(O)CNCCCCCO 95121d7be2e3a87e4e81ec26c166df24 [1,1,0,0,0,0|1,0,1]=4 2185 B10R0.4 O=C(O)CNCCOCCO 61358dfe4f762e3239860abf51eb55a2 [1,1,0,0,0,0|2,0,0]=4 2186 B10R0.4 O=C(O)CNCCOCCS 925322d012b8e92ba4e47f9a5625ac74 [1,1,0,0,0,0|2,0,0]=4 2187 B10R0.4 O=C(O)CNCCSCCO 277ca89a0a517963cae207967b457e7c [1,1,0,0,0,0|2,0,0]=4 2188 B10R0.4 O=C(O)COCCCCCF 8e4729e23febda2f8d2fd6c5de67d134 [1,1,0,0,0,0|1,0,1]=4 2189 B10R0.4 O=C(O)COCCNCCF 2e7d4e80e31c3481ef07788398a5dd6a [1,1,0,0,0,0|2,0,0]=4 2190 B10R0.4 O=C(O)COCCNCCI e3160e5e187ed431712741097b4ede2f [1,1,0,0,0,0|2,0,0]=4 2191 B10R0.4 O=C(O)COCCNCCO 1d28851cb10c60424a64961c961ad5e1 [1,1,0,0,0,0|2,0,0]=4 2192 B10R0.4 O=C(O)COCCNCCS 426b240fbe8b2d3c77fa7bc41add1fe2 [1,1,0,0,0,0|2,0,0]=4 2193 B10R0.4 O=C(O)COCCOCCF 98b6f4f719a60ef054da74892db23cca [1,1,0,0,0,0|2,0,0]=4 2194 B10R0.4 O=C(O)COCCOCCS 374d05928f0579f3109488a6dc4024e2 [1,1,0,0,0,0|2,0,0]=4 2195 B10R0.4 O=C(O)CSCCNCCF cb7168a71eceedaa9f2298994c7f8a7d [1,1,0,0,0,0|2,0,0]=4 2196 B10R0.4 O=C(O)CSCCNCCO f8149fa1464b0b22fccb9cf51e8861d6 [1,1,0,0,0,0|2,0,0]=4 2197 B10R0.4 O=C(O)CSCCNCCS 9c8f0db50c9a3907b8542969b9c22d43 [1,1,0,0,0,0|2,0,0]=4 2198 B10R0.4 O=CCCNCCCC(=O)O 4cf44d1235885a7352ee88704c953847 [1,1,0,0,0,0|1,0,1]=4 2199 B10R0.4 O=CCCOCCCC(=O)O eeaed839850eec036bbecf09fd02f04c [1,1,0,0,0,0|1,0,1]=4 2200 B10R0.6 CC/C=C/CN(C)CC(=O)O c7f746a7f0a641e6a819d88bada2045a [1,1,0,0,0,0|1,0,1]=4 2201 B10R0.6 CCCCCN(C)CC(=O)O 4ab140d6aac6faac2393e297443e0dda [1,1,0,0,0,0|1,0,1]=4 2202 B10R0.6 CCCCNC(C)CC(=O)O c633822bdd37960050b77a4c542ea52f [1,1,0,0,0,0|1,0,1]=4 2203 B10R0.6 CCCCN[C@@H](C)CC(=O)O fb7944b4d683d296fe4ee273d84f1842 [1,1,0,0,0,0|1,0,1]=4 2204 B10R0.6 CCCCN[C@H](C)CC(=O)O effa4168fb691284724307507367e076 [1,1,0,0,0,0|1,0,1]=4 2205 B10R0.6 CCCCOC(C)CC(=O)O 7d385d82783db9ce90ee671d43dd6564 [1,1,0,0,0,0|1,0,1]=4 2206 B10R0.6 CCCCO[C@@H](C)CC(=O)O e0b1114df9792477e60a032af290ecc0 [1,1,0,0,0,0|1,0,1]=4 2207 B10R0.6 CCCCO[C@H](C)CC(=O)O 72d7a585b30718443ba3a12d0dc6335b [1,1,0,0,0,0|1,0,1]=4 2208 B10R0.6 CCCNCC(=O)CC(=O)O 647d084d70797a2ed0a267823351fd12 [1,1,0,0,0,0|1,0,1]=4 2209 B10R0.6 CCCNCC(O)CC(=O)O 16b23299f37a8d9496c6c0b6251c38a9 [1,1,0,0,0,0|1,0,0]=3 2210 B10R0.6 CCCNC[C@@H](O)CC(=O)O 291cb1436a6d09c088f19d633b5b0ffe [1,1,0,0,0,0|1,0,0]=3 2211 B10R0.6 CCCNC[C@H](O)CC(=O)O d3a494af08bc1bf4019a0efd791c0770 [1,1,0,0,0,0|1,0,0]=3 2212 B10R0.6 CCCOCC(=O)CC(=O)O cf9be1521053caf66870fd24a0372650 [1,1,0,0,0,0|1,0,1]=4 2213 B10R0.6 COCNCC(O)CC(=O)O 8d44744b4402d927adaa9c95cd9bc254 [1,1,0,0,0,0|2,0,0]=4 2214 B10R0.6 COCNC[C@@H](O)CC(=O)O b76f776dd7118b8425bf415bc2ed1004 [1,1,0,0,0,0|2,0,0]=4 2215 B10R0.6 COCNC[C@H](O)CC(=O)O 2908c5b804b30593d9e0b74ee60b265a [1,1,0,0,0,0|2,0,0]=4 2216 B10R0.6 CSCNCC(O)CC(=O)O 02430295015252d5ce860cb307f4f8f9 [1,1,0,0,0,0|2,0,0]=4 2217 B10R0.6 CSCNC[C@@H](O)CC(=O)O 8a6322b9af45b16f1d1046e12b2ef258 [1,1,0,0,0,0|2,0,0]=4 2218 B10R0.6 CSCNC[C@H](O)CC(=O)O 07989b96aa7c9e9593b7783798d8142b [1,1,0,0,0,0|2,0,0]=4 2219 B10R0.6 O=C(O)CC(O)CNCCF 235c7530a8bc54bb754c11b61ddcc9c9 [1,1,0,0,0,0|2,0,0]=4 2220 B10R0.6 O=C(O)CC(O)CNCCO 54a93ac68f41814121d48df912e6e308 [1,1,0,0,0,0|2,0,0]=4 2221 B10R0.6 O=C(O)CC(O)CNCCS b1f75523342b993ab533679a9f7f10b8 [1,1,0,0,0,0|2,0,0]=4 2222 B10R0.6 O=C(O)C[C@@H](O)CNCCF e1c514b36fac8d5549f3d3acfc581185 [1,1,0,0,0,0|2,0,0]=4 2223 B10R0.6 O=C(O)C[C@@H](O)CNCCO 5f96c5bff751fa3c7bab8d9e7fa0f59a [1,1,0,0,0,0|2,0,0]=4 2224 B10R0.6 O=C(O)C[C@@H](O)CNCCS 208b7a9b5aa60cc05fa44a5137166276 [1,1,0,0,0,0|2,0,0]=4 2225 B10R0.6 O=C(O)C[C@H](O)CNCCF fc75303fe8c7f28afc8eab3286c2ff69 [1,1,0,0,0,0|2,0,0]=4 2226 B10R0.6 O=C(O)C[C@H](O)CNCCO 508d545b7df3d13b4296823ffc196b15 [1,1,0,0,0,0|2,0,0]=4 2227 B10R0.6 O=C(O)C[C@H](O)CNCCS 005168e84f2f8fefcc51db8efa932c44 [1,1,0,0,0,0|2,0,0]=4 2228 B10R0.22 CCCNCCCS(=O)(=O)O 24acc1a1a42d884d292692e7b07d99c3 [1,1,0,0,0,0|2,0,0]=4 2229 B10R0.22 CCCOCCCS(=O)(=O)O 095be99f10f30a88ffecce12bbf5edb4 [1,1,0,0,0,0|2,0,0]=4 2230 B10R0.55 CC(CO)NCCCC(=O)O 7a30d88fa83254cfe874b379cac2e896 [1,1,0,0,0,0|2,0,0]=4 2231 B10R0.55 CCC(C)CCNCC(=O)O c0874586a90d929f810e9434f0871a82 [1,1,0,0,0,0|1,0,1]=4 2232 B10R0.55 CCC(C)CCOCC(=O)O 7117a92df12d1ec50f15d4a89cc4ac88 [1,1,0,0,0,0|1,0,1]=4 2233 B10R0.55 CCC(C)CNCCC(=O)O 59b5d5020b32cc2e945dd8bd129e7849 [1,1,0,0,0,0|1,0,1]=4 2234 B10R0.55 CCC(C)COCCC(=O)O efb34b64423e58caf238b1d103aacee4 [1,1,0,0,0,0|1,0,1]=4 2235 B10R0.55 CCC(C)NCCCC(=O)C eb226980a2ae5298d86add78ffe5955b [1,1,0,0,0,0|2,0,0]=4 2236 B10R0.55 CCC(C)NCCCC(=O)N 7577bc2dd7012c7abc8f7e4eb8f28bee [1,1,0,0,0,0|2,0,0]=4 2237 B10R0.55 CCC(C)NCCCC(=O)O 64a52db70ffa28e8d94ac0fb7ba9bff0 [1,1,0,0,0,0|1,0,0]=3 2238 B10R0.55 CCC(C)OCCCC(=O)C ecf55f07267ddf03dbea6bfb35b1f5f4 [1,1,0,0,0,0|2,0,0]=4 2239 B10R0.55 CCC(C)OCCCC(=O)N c59395cc4b6c2ba927fda7a57a7597e7 [1,1,0,0,0,0|2,0,0]=4 2240 B10R0.55 CCC(O)CNCCC(=O)O f2e5f0523ee086cdc346a6a74ffc1f7a [1,1,0,0,0,0|1,0,1]=4 2241 B10R0.55 CCC(S)CCOCC(=O)O 7c10a908924967e816777ee1692ae82c [1,1,0,0,0,0|1,0,1]=4 2242 B10R0.55 CCN(C)CCCCC(=O)O bb82b1e460f16fb8943314d08f43ab8d [1,1,0,0,0,0|1,0,1]=4 2243 B10R0.55 CC[C@@H](C)CNCCC(=O)O 82dcea8aa970a6c213be42262f949a4e [1,1,0,0,0,0|1,0,1]=4 2244 B10R0.55 CC[C@@H](C)COCCC(=O)O 629ee50c5237c26e522b779665a79820 [1,1,0,0,0,0|1,0,1]=4 2245 B10R0.55 CC[C@@H](C)NCCCC(=O)C 30110e0f99f26d75483b82d55438a792 [1,1,0,0,0,0|2,0,0]=4 2246 B10R0.55 CC[C@@H](C)NCCCC(=O)N 8f5bb8635e9b4161ac2d062d39da802e [1,1,0,0,0,0|2,0,0]=4 2247 B10R0.55 CC[C@@H](C)OCCCC(=O)C 5daf20a2f195e7bf62ce130fd8a8e12d [1,1,0,0,0,0|2,0,0]=4 2248 B10R0.55 CC[C@@H](C)OCCCC(=O)N ff4972c1a911921dd377d4725d78d0b7 [1,1,0,0,0,0|2,0,0]=4 2249 B10R0.55 CC[C@@H](O)CNCCC(=O)O 794f3282a52a6371036819fd43d83f09 [1,1,0,0,0,0|1,0,1]=4 2250 B10R0.55 CC[C@H](C)CCOCC(=O)O b546808bbdd613ca75fdde6febc8af06 [1,1,0,0,0,0|1,0,1]=4 2251 B10R0.55 CC[C@H](C)CNCCC(=O)O 3f0ee1f7c0bd3c6154f1e43c34026b88 [1,1,0,0,0,0|1,0,1]=4 2252 B10R0.55 CC[C@H](C)COCCC(=O)O a1e225dba7ca62fe9106f920f556fe63 [1,1,0,0,0,0|1,0,1]=4 2253 B10R0.55 CC[C@H](C)NCCCC(=O)C d9deab0eaed225b2e9e6f68ff71044bd [1,1,0,0,0,0|2,0,0]=4 2254 B10R0.55 CC[C@H](C)NCCCC(=O)N 863a25109964a63a3c2a33f9597c06c7 [1,1,0,0,0,0|2,0,0]=4 2255 B10R0.55 CC[C@H](C)OCCCC(=O)C f6708d1229265ab3f7060e9a86ab051b [1,1,0,0,0,0|2,0,0]=4 2256 B10R0.55 CC[C@H](C)OCCCC(=O)N aa60075d7579a9565c74497515d8e66e [1,1,0,0,0,0|2,0,0]=4 2257 B10R0.55 C[C@@H](CO)NCCCC(=O)O f2fb01e497d8d1233c3f9759e4f5f0f7 [1,1,0,0,0,0|2,0,0]=4 2258 B10R0.55 C[C@H](CO)NCCCC(=O)O 18b1643b4d16f33489c5ff88ab1f0515 [1,1,0,0,0,0|2,0,0]=4 2259 B10R0.74 C=CC(=O)CCCNCCC 6452811aa0f965a0bac588aba4cc7d75 [1,1,0,0,0,0|2,0,0]=4 2260 B10R0.74 C=CC(=O)CCCOCCC 2f1f5ed625ae1d833f97ac1c8ad75a3e [1,1,0,0,0,0|2,0,0]=4 2261 B10R0.74 CC/C=C/CNCC(=O)NO bdcefd5d8991a4c6f68e1a98472a81c9 [1,1,0,0,0,0|1,0,1]=4 2262 B10R0.74 CC/C=C/CNCC(=O)OC 19854a993a13e81af2b3e81b0a9b52b8 [1,1,0,0,0,0|1,0,1]=4 2263 B10R0.74 CC/C=C/COCC(=O)OC df91b6626dbab8528a78f4a8549ba0f2 [1,1,0,0,0,0|1,0,1]=4 2264 B10R0.74 CC/C=C\COCC(=O)OC 14e106e074a4f78b35a827be1b81d218 [1,1,0,0,0,0|1,0,1]=4 2265 B10R0.74 CCCCCCNC(=O)CO e8cf9f23cdf04b79897a080a69f10636 [1,1,0,0,0,0|1,0,1]=4 2266 B10R0.74 CCCCCNCC(=O)CO 6b2786aaa9795a5c5117cb363febeda7 [1,1,0,0,0,0|1,0,1]=4 2267 B10R0.74 CCCCCNCC(=O)NO aea682c668d0435bfcc8e8bd09e49795 [1,1,0,0,0,0|1,0,1]=4 2268 B10R0.74 CCCCCNCC(=O)OC 648365248fe1587b1bbc2cd6174118d5 [1,1,0,0,0,0|1,0,1]=4 2269 B10R0.74 CCCCCOCC(=O)OC b7118d3515803bc38039c9851ac2a113 [1,1,0,0,0,0|1,0,1]=4 2270 B10R0.74 CCCCNCCC(=O)NO 939516755ac6ecba6fceb322e131b37b [1,1,0,0,0,0|1,0,1]=4 2271 B10R0.74 CCCCNCCC(=O)OC 09ad74908609854771fdcf0490c9897c [1,1,0,0,0,0|1,0,1]=4 2272 B10R0.74 CCCCOCCC(=O)OC e3be7e6d51b5d91e883aedbf1fdb6a9f [1,1,0,0,0,0|1,0,1]=4 2273 B10R0.74 CCCNCCCC(=O)NC a3b31883785f33a03890cefb42b1d82a [1,1,0,0,0,0|2,0,0]=4 2274 B10R0.74 CCCNCCCC(=O)OC b16643f72059eae0ad94565e3f229a1f [1,1,0,0,0,0|1,0,0]=3 2275 B10R0.74 CCCOCCCC(=O)NC 47cc15a6d3336cd77ff2e352f7e46945 [1,1,0,0,0,0|2,0,0]=4 2276 B10R0.74 CCCOCCCC(=O)OC 6777d826a7092669282f32ac583d5482 [1,1,0,0,0,0|1,0,0]=3 2277 B10R0.74 CCCOCCNC(=O)CO 2ce5430bc5513b3c98ba20d9c18070bf [1,1,0,0,0,0|2,0,0]=4 2278 B10R0.74 CCCOCCOC(=O)OC 19df69bdbd15a1dd1020380f97d55a25 [1,1,0,0,0,0|2,0,0]=4 2279 B10R0.74 CCNCCCCC(=O)OC 2fc49225e902a66c0506ebb2378fe230 [1,1,0,0,0,0|1,0,1]=4 2280 B10R0.74 CCOCCCCC(=O)OC 26c440802f326860db2c18e76f91ac90 [1,1,0,0,0,0|1,0,1]=4 2281 B10R0.74 COC(=O)CCCNCCBr 9c51d334e0953320e19fea85b6b1fd6c [1,1,0,0,0,0|2,0,0]=4 2282 B10R0.74 COC(=O)CCCNCCF ab83e9b19a9d2139da2ebfe0bd5d3b37 [1,1,0,0,0,0|2,0,0]=4 2283 B10R0.74 COC(=O)CCCNCCI e868fd7399f288687e6a6c32f65774b5 [1,1,0,0,0,0|2,0,0]=4 2284 B10R0.74 COC(=O)CCCNCCO 8668c445b163b442f85ab895d00987c8 [1,1,0,0,0,0|2,0,0]=4 2285 B10R0.74 COC(=O)CCCNCCS d701e11e7ad693a35efd750085305a74 [1,1,0,0,0,0|2,0,0]=4 2286 B10R0.74 COC(=O)CCCNCSC faedf9d17f7f69f05e860d9f4c2eedac [1,1,0,0,0,0|2,0,0]=4 2287 B10R0.74 COC(=O)CCCOCCF 7a0d6361420304c7bd4ae6ecca548250 [1,1,0,0,0,0|2,0,0]=4 2288 B10R0.74 COC(=O)CCCOCCS c957c36687ac3de604796819e2d658fc [1,1,0,0,0,0|2,0,0]=4 2289 B10R0.74 COCNCCCC(=O)OC 085c0ab887f5e3d1ddfd29e981267fd3 [1,1,0,0,0,0|2,0,0]=4 2290 B10R0.74 COCOCCCC(=O)OC b68fbbe3b66cde135d1c1e599e84c93f [1,1,0,0,0,0|2,0,0]=4 2291 B10R0.75 CC/C=C/CNC(C)C(=O)O b73729c0a57a0de61e403e53e5ecf0f8 [1,1,0,0,0,0|1,0,1]=4 2292 B10R0.75 CC/C=C/CNC(O)C(=O)O 1a72bb6f5d4f25adff06f60c34954bf6 [1,1,0,0,0,0|1,0,1]=4 2293 B10R0.75 CC/C=C/CN[C@@H](C)C(=O)O 1c1c73eadc7407db5f3461ca35d35734 [1,1,0,0,0,0|1,0,1]=4 2294 B10R0.75 CC/C=C/CN[C@H](C)C(=O)O 554aacbf0d81fdeb5e13925268740237 [1,1,0,0,0,0|1,0,1]=4 2295 B10R0.75 CC/C=C/COC(C)C(=O)O e63a3abca1262b3f3ebc8a0991fcaa91 [1,1,0,0,0,0|1,0,1]=4 2296 B10R0.75 CC/C=C/COC(F)C(=O)O 3560b978588f0c5fce1c06909a4db67d [1,1,0,0,0,0|1,0,1]=4 2297 B10R0.75 CC/C=C/CO[C@@H](C)C(=O)O d03a90621c9beefcf422a2e33c398b7b [1,1,0,0,0,0|1,0,1]=4 2298 B10R0.75 CC/C=C/CO[C@@H](F)C(=O)O 35322cca6df7886398c8c1b01e1d6a5d [1,1,0,0,0,0|1,0,1]=4 2299 B10R0.75 CC/C=C/CO[C@H](C)C(=O)O 348bfb69d3b27b412a2c506d8783ae3f [1,1,0,0,0,0|1,0,1]=4 2300 B10R0.75 CC/C=C\COC(F)C(=O)O 617a74a8c2c2991a79865721e1a0ba8a [1,1,0,0,0,0|1,0,1]=4 2301 B10R0.75 CC/C=C\CO[C@@H](F)C(=O)O a99071509d00eeff8a2281f843efd1a5 [1,1,0,0,0,0|1,0,1]=4 2302 B10R0.75 CCCCCNC(C)C(=O)O 29f988631a687805f3237416e2d2a02d [1,1,0,0,0,0|1,0,1]=4 2303 B10R0.75 CCCCCNC(O)C(=O)O 11dd94f84b7f3a6e3b26c0bb3600ff21 [1,1,0,0,0,0|1,0,1]=4 2304 B10R0.75 CCCCCN[C@@H](C)C(=O)O ac68191807acbe842f2911dfc8627408 [1,1,0,0,0,0|1,0,1]=4 2305 B10R0.75 CCCCCN[C@H](C)C(=O)O cf05f4ee4299fbdf1ec78d0468c5276e [1,1,0,0,0,0|1,0,1]=4 2306 B10R0.75 CCCCCOC(C)C(=O)O d9a0cb918530269c86b9f8f93a0b386e [1,1,0,0,0,0|1,0,1]=4 2307 B10R0.75 CCCCCOC(F)C(=O)O 2ec572c2e9f4242a425c59d79225beda [1,1,0,0,0,0|1,0,1]=4 2308 B10R0.75 CCCCCO[C@@H](C)C(=O)O 699cec09f5a70bc50bc69a7af1564b33 [1,1,0,0,0,0|1,0,1]=4 2309 B10R0.75 CCCCCO[C@@H](F)C(=O)O 79f8f0368673871b87fc7c14e08ffcf9 [1,1,0,0,0,0|1,0,1]=4 2310 B10R0.75 CCCCCO[C@H](C)C(=O)O 1003b54a4dca2cab07f6967f17d22592 [1,1,0,0,0,0|1,0,1]=4 2311 B10R0.75 CCCCNCC(C)C(=O)O 02eff386380973d7332643c2a188b57a [1,1,0,0,0,0|1,0,1]=4 2312 B10R0.75 CCCCNCC(F)C(=O)O fbfefce8391ae6e8024e364aa27530c8 [1,1,0,0,0,0|1,0,1]=4 2313 B10R0.75 CCCCNCC(O)C(=O)O da2c3a8a69842ffe785863280b660640 [1,1,0,0,0,0|1,0,1]=4 2314 B10R0.75 CCCCNC[C@@H](C)C(=O)O d1df5de4a71ab6f7e8e989d038fad739 [1,1,0,0,0,0|1,0,1]=4 2315 B10R0.75 CCCCNC[C@@H](O)C(=O)O 5b66b3027d8388c3490256190a312a34 [1,1,0,0,0,0|1,0,1]=4 2316 B10R0.75 CCCCNC[C@H](C)C(=O)O 65f054a415ca163ea28e66b9bc953c69 [1,1,0,0,0,0|1,0,1]=4 2317 B10R0.75 CCCCNC[C@H](O)C(=O)O 00525c3b8f131b1755fbc91245f8f510 [1,1,0,0,0,0|1,0,1]=4 2318 B10R0.75 CCCCOCC(C)C(=O)O baf7c440c6a2420089b93e97589398f3 [1,1,0,0,0,0|1,0,1]=4 2319 B10R0.75 CCCCOC[C@@H](C)C(=O)O 5671fe1dae947507bb3c02b9404035ae [1,1,0,0,0,0|1,0,1]=4 2320 B10R0.75 CCCCOC[C@H](C)C(=O)O f7972fdad85ef578e0dc2f749638e6a4 [1,1,0,0,0,0|1,0,1]=4 2321 B10R0.75 CCCNCCC(F)C(=O)O 2a2568276e5eb43fc895e985846ab1ec [1,1,0,0,0,0|1,0,0]=3 2322 B10R0.75 CCCNCCC(O)C(=O)O 08214f6e444446f1f413bf6b23acc60d [1,1,0,0,0,0|1,0,0]=3 2323 B10R0.75 CCCNCC[C@H](O)C(=O)O 74498b599e1e0c5604c0b65ab1868257 [1,1,0,0,0,0|1,0,0]=3 2324 B10R0.75 COCNCCC(F)C(=O)O 0b54fbc77245c6af4364105f42f1da95 [1,1,0,0,0,0|2,0,0]=4 2325 B10R0.75 COCNCCC(O)C(=O)O a1afc468761e58be1bd2714c9154df7e [1,1,0,0,0,0|2,0,0]=4 2326 B10R0.75 COCNCC[C@H](O)C(=O)O 720f3b9c4633a643c6b3293d0b27ec7d [1,1,0,0,0,0|2,0,0]=4 2327 B10R0.75 CSCNCCC(F)C(=O)O 3c0ae72c3610a64e48da3157f3d13b58 [1,1,0,0,0,0|2,0,0]=4 2328 B10R0.75 CSCNCCC(O)C(=O)O 69a7fdd405172e4d5591c15359ec8228 [1,1,0,0,0,0|2,0,0]=4 2329 B10R0.75 CSCNCC[C@H](O)C(=O)O 743924326ec47e16033d94ae95e0cadb [1,1,0,0,0,0|2,0,0]=4 2330 B10R0.75 O=C(O)C(F)CCNCCF 4ccf6598a98a805d36ad248e4e66b97b [1,1,0,0,0,0|2,0,0]=4 2331 B10R0.75 O=C(O)C(F)CCNCCO 6284eef18fff078bdb29bdcabf6b8200 [1,1,0,0,0,0|2,0,0]=4 2332 B10R0.75 O=C(O)C(F)CCNCCS 5558b8f50ca34248e13f5e8583739b75 [1,1,0,0,0,0|2,0,0]=4 2333 B10R0.75 O=C(O)C(O)CCNCCF 4eb0444245ea8711907e9cdaf00db0c3 [1,1,0,0,0,0|2,0,0]=4 2334 B10R0.75 O=C(O)C(O)CCNCCO 0952715bb656ef532bbecdab0d049b07 [1,1,0,0,0,0|2,0,0]=4 2335 B10R0.75 O=C(O)C(O)CCNCCS 93c36a2dc59fa90922b20f7d6fbf0ea8 [1,1,0,0,0,0|2,0,0]=4 2336 B10R0.75 O=C(O)[C@@H](O)CCNCCF e50bd41a53efd9c0ab24c17df2012f7f [1,1,0,0,0,0|2,0,0]=4 2337 B10R0.75 O=C(O)[C@@H](O)CCNCCO 10b541f576ed1c87d335faf8a6b596b0 [1,1,0,0,0,0|2,0,0]=4 2338 B10R0.75 O=C(O)[C@@H](O)CCNCCS 3c3c7040da611de8eafc6903b31a0bf3 [1,1,0,0,0,0|2,0,0]=4 2339 B10R0.78 CC(CCC(=O)O)NCCF 8ff81164d2113f849a4e3eaca508944e [1,1,0,0,0,0|2,0,0]=4 2340 B10R0.78 CC(CCC(=O)O)NCCI b6599eb7b3f748e96cecaf7ce4a26dd8 [1,1,0,0,0,0|2,0,0]=4 2341 B10R0.78 CC(CCC(=O)O)NCCO 6282011c531d423c647c14e47771978c [1,1,0,0,0,0|2,0,0]=4 2342 B10R0.78 CC(CCC(=O)O)OCCF 9fc3f6b2137030574e7cc92eedd91727 [1,1,0,0,0,0|2,0,0]=4 2343 B10R0.78 CC(CCC(=O)O)OCCS 91d832b778795afa207fabc9780e76fa [1,1,0,0,0,0|2,0,0]=4 2344 B10R0.78 CCCCC(C)NCC(=O)O ca8ad46e018df2faa99dbf908bd443e1 [1,1,0,0,0,0|1,0,1]=4 2345 B10R0.78 CCCCC(C)OCC(=O)O a9747b2dc6b524106d5700f387a2a510 [1,1,0,0,0,0|1,0,1]=4 2346 B10R0.78 CCCCN(C)CCC(=O)O b806e1b2cd351dd886d8560ee659fbb1 [1,1,0,0,0,0|1,0,1]=4 2347 B10R0.78 CCCC[C@@H](C)NCC(=O)O cdf353e5bc7239425db33062b64cab42 [1,1,0,0,0,0|1,0,1]=4 2348 B10R0.78 CCCC[C@@H](C)OCC(=O)O fcdde6a6446f16e594fd1de5903e1b1b [1,1,0,0,0,0|1,0,1]=4 2349 B10R0.78 CCCC[C@H](C)OCC(=O)O 7b88542caf2c6272fa28507597d32d4c [1,1,0,0,0,0|1,0,1]=4 2350 B10R0.78 CCCNC(C)CCC(=O)O 571f95f24765651c01fcc52fa38fd0a0 [1,1,0,0,0,0|1,0,0]=3 2351 B10R0.78 CCCN[C@@H](C)CCC(=O)O 1755318cfb49486d14d8459d7a0a94b5 [1,1,0,0,0,0|1,0,0]=3 2352 B10R0.78 CCCOC(C)CCC(=O)O d80031c9b64791b5bc796683ccc38ba3 [1,1,0,0,0,0|1,0,0]=3 2353 B10R0.78 COCNC(C)CCC(=O)O cd23ab7231cf0ccd8c90f3d73d5d07db [1,1,0,0,0,0|2,0,0]=4 2354 B10R0.78 COCN[C@@H](C)CCC(=O)O bdc9bb6296a1c7446cd8cab2459e70d1 [1,1,0,0,0,0|2,0,0]=4 2355 B10R0.78 COCOC(C)CCC(=O)O ecc641dc89a23cf5a66427a947d5cab5 [1,1,0,0,0,0|2,0,0]=4 2356 B10R0.78 CSCNC(C)CCC(=O)O bafdfaa63b84df8ddac61b1460c7ec48 [1,1,0,0,0,0|2,0,0]=4 2357 B10R0.78 CSCN[C@@H](C)CCC(=O)O c17c3a655fcf622becc77d31957d3e6d [1,1,0,0,0,0|2,0,0]=4 2358 B10R0.78 CSCOC(C)CCC(=O)O b274ba4e4e52658c4be3d129907ff4fb [1,1,0,0,0,0|2,0,0]=4 2359 B10R0.78 C[C@@H](CCC(=O)O)NCCF 5dce132d74d7543a87cde0bc3adc6057 [1,1,0,0,0,0|2,0,0]=4 2360 B10R0.78 C[C@@H](CCC(=O)O)NCCO a7abf83a15744ef547c7f9ec102c6f60 [1,1,0,0,0,0|2,0,0]=4 2361 B10R0.97 C=C(C)CNCCCC(=O)O 4a71b47e20ac7cb8bf4e581982179c69 [1,1,0,0,0,0|1,0,1]=4 2362 B10R0.97 CC(=O)CCCNCC(C)C c4221c351f859819b5e6cfd633a8a821 [1,1,0,0,0,0|2,0,0]=4 2363 B10R0.97 CC(=O)CCCNCC(C)O 7827ded47062577adccafb076e979e7f [1,1,0,0,0,0|2,0,0]=4 2364 B10R0.97 CC(=O)CCCNC[C@@H](C)O 4f3248c59a558d260643490ed8d6b0ec [1,1,0,0,0,0|2,0,0]=4 2365 B10R0.97 CC(=O)CCCNC[C@H](C)O a8c96c63cd81114a3df8ed3f66294f69 [1,1,0,0,0,0|2,0,0]=4 2366 B10R0.97 CC(=O)CCCOCC(C)C b1009e81425a6696c191de687864c929 [1,1,0,0,0,0|2,0,0]=4 2367 B10R0.97 CC(=O)CCCOCC(C)F a04f1efd598969901bda18001e418bd6 [1,1,0,0,0,0|2,0,0]=4 2368 B10R0.97 CC(=O)CCCOCC(C)S 49650a3a3b43d29d9d0dffef63039060 [1,1,0,0,0,0|2,0,0]=4 2369 B10R0.97 CC(=O)CCCOC[C@@H](C)F 0f2f82193430abc5c21e3e1cebc8adbb [1,1,0,0,0,0|2,0,0]=4 2370 B10R0.97 CC(=O)CCCOC[C@H](C)F 7070d2984c29be86f487110f8fa6e6b7 [1,1,0,0,0,0|2,0,0]=4 2371 B10R0.97 CC(C)/C=C/CNCC(=O)O 5c82e9b7f3a51e880e53089d3f330fee [1,1,0,0,0,0|1,0,1]=4 2372 B10R0.97 CC(C)/C=C/COCC(=O)O c97e7e326cdfbf4ba3af84c0b167bd13 [1,1,0,0,0,0|1,0,1]=4 2373 B10R0.97 CC(C)CCCNCC(=O)O 7b5eb9dbf8040a2662aff8c8cae111a2 [1,1,0,0,0,0|1,0,1]=4 2374 B10R0.97 CC(C)CCCOCC(=O)O 946e4036f4ad307d3c3712db7f7590d3 [1,1,0,0,0,0|1,0,1]=4 2375 B10R0.97 CC(C)CCNCCC(=O)O 29e05adcace821b712e2551c82554863 [1,1,0,0,0,0|1,0,1]=4 2376 B10R0.97 CC(C)CCOCCC(=O)O e0795bebe5219e64bad949096de2aa71 [1,1,0,0,0,0|1,0,1]=4 2377 B10R0.97 CC(C)CNCCCC(=O)N 0f0ea70316a29cf4c8b917050bc9c4d4 [1,1,0,0,0,0|2,0,0]=4 2378 B10R0.97 CC(C)CNCCCC(=O)O 26ee06db53a69b8e2393eec9461819e8 [1,1,0,0,0,0|1,0,0]=3 2379 B10R0.97 CC(C)COCCCC(=O)N e1ef5382714346abd933db6c4714f8ee [1,1,0,0,0,0|2,0,0]=4 2380 B10R0.97 CC(C)NCCCCC(=O)O 8ca7ad1722d6df81b0afcb0267dc9593 [1,1,0,0,0,0|1,0,1]=4 2381 B10R0.97 CC(C)OCCCCC(=O)O 080d97a0ede59999c48dbc5986ec4e9f [1,1,0,0,0,0|1,0,1]=4 2382 B10R0.97 CC(F)COCCCC(=O)N e140b7d76850f60d891e3da9ea7657ec [1,1,0,0,0,0|2,0,0]=4 2383 B10R0.97 CC(O)CCCNCC(=O)O bccb9d805e09a648643e850da2fcab8c [1,1,0,0,0,0|1,0,1]=4 2384 B10R0.97 CC(O)CCNCCC(=O)O 5cb6ca88c78ab71b45fe05defd351d6b [1,1,0,0,0,0|1,0,1]=4 2385 B10R0.97 CC(O)CNCCCC(=O)N 95d414d8913288bac6fc8e8beee28c47 [1,1,0,0,0,0|2,0,0]=4 2386 B10R0.97 CC(O)CNCCCC(=O)O 803531ff04b8ba4f1800dccdadb7502b [1,1,0,0,0,0|1,0,0]=3 2387 B10R0.97 CC(S)COCCCC(=O)N 5bbf7e562e45b8ce11d47b2543a4dc52 [1,1,0,0,0,0|2,0,0]=4 2388 B10R0.97 CN(C)CNCCCC(=O)O 3a727bb28b9020a0f00630449137b7dc [1,1,0,0,0,0|2,0,0]=4 2389 B10R0.97 C[C@@H](F)COCCCC(=O)N fd1ab2965c52c1c24b40243ebd4469d4 [1,1,0,0,0,0|2,0,0]=4 2390 B10R0.97 C[C@@H](O)CCNCCC(=O)O 5a67dcdd3503103dc4fc520d76b18570 [1,1,0,0,0,0|1,0,1]=4 2391 B10R0.97 C[C@@H](O)CNCCCC(=O)N 0c7644f8df2427c0eda8a73923a2515f [1,1,0,0,0,0|2,0,0]=4 2392 B10R0.97 C[C@@H](O)CNCCCC(=O)O b76c49cbc84d63ae631f619c0916d501 [1,1,0,0,0,0|1,0,0]=3 2393 B10R0.97 C[C@H](F)COCCCC(=O)N 989336502a9b386a3f0e8555beb9ce07 [1,1,0,0,0,0|2,0,0]=4 2394 B10R0.97 C[C@H](O)CCNCCC(=O)O 926fa517551eec126edfee46a62debd5 [1,1,0,0,0,0|1,0,1]=4 2395 B10R0.97 C[C@H](O)CNCCCC(=O)N 37d5c40120bb8c4977d50a543ac3d7ed [1,1,0,0,0,0|2,0,0]=4 2396 B10R0.97 C[C@H](O)CNCCCC(=O)O 6df3ccef4c5ef1407b3cb64e292e3e26 [1,1,0,0,0,0|1,0,0]=3 2397 B10R0.97 O=C(O)CCCNCC(F)F 5d730fcdd21ad43f97eda848d677407d [1,1,0,0,0,0|2,0,0]=4 2398 B10R0.1 C#CCCCNC(=O)CCC 1e5aba94a15dbf62ea93232b53804dde [1,1,0,0,0,0|1,0,1]=4 2399 B10R0.1 C#CCCNCC(=O)CCC b89d15c3e2290d8fcd49f987532af107 [1,1,0,0,0,0|1,0,1]=4 2400 B10R0.1 C#CCCOCC(=O)CCC 4b16cb2cf69aa46b6e6a8c9c82f2cec9 [1,1,0,0,0,0|1,0,1]=4 2401 B10R0.1 C/C=C/COCC(=O)CCC e705dd41e10e42b7866df48e1ca92157 [1,1,0,0,0,0|1,0,1]=4 2402 B10R0.1 C/C=C\COCC(=O)CCC 8bf6bfccd0bb73cc8d5f50cefcee622b [1,1,0,0,0,0|1,0,1]=4 2403 B10R0.1 C=CCCCNC(=O)CCC 36add1eb0b637534ddbc7b909527399d [1,1,0,0,0,0|1,0,0]=3 2404 B10R0.1 C=CCCCNC(=O)CCF 2287befd978d870f4eb5ee4bd1db76c0 [1,1,0,0,0,0|2,0,0]=4 2405 B10R0.1 C=CCCCNC(=O)CCO 80adf97a35dea4bdb11cfb100b7f3c6a [1,1,0,0,0,0|2,0,0]=4 2406 B10R0.1 C=CCCCNC(=O)CCS e9c72cfe8c8fed5b9a1cd57d7015d678 [1,1,0,0,0,0|2,0,0]=4 2407 B10R0.1 C=CCCCNC(=O)COC 8ba7ab36b38ed1ac81d62a7954fda795 [1,1,0,0,0,0|2,0,0]=4 2408 B10R0.1 C=CCCCNC(=O)CSC 485135a22625c8d410019aa294f39a83 [1,1,0,0,0,0|2,0,0]=4 2409 B10R0.1 C=CCCCOC(=S)CCC 4cb56d9bc436f4caf74e6534297d8c48 [1,1,0,0,0,0|1,1,0]=4 2410 B10R0.1 C=CCCNCC(=O)CCC ec695e02d29ced9756cce2a57165ab66 [1,1,0,0,0,0|1,0,0]=3 2411 B10R0.1 C=CCCNCC(=O)COC 036846a0acaa703b26bf30b3600ca4b8 [1,1,0,0,0,0|2,0,0]=4 2412 B10R0.1 C=CCCNCC(=O)NCC 205ffff9bffe700f77054bd00615e164 [1,1,0,0,0,0|2,0,0]=4 2413 B10R0.1 C=CCCNCC(=O)OCC 3a60ac770644bf8bec6c57beac87737b [1,1,0,0,0,0|2,0,0]=4 2414 B10R0.1 C=CCCOCC(=O)CCC 5fa19dac02f4734efaaffc6177d1b445 [1,1,0,0,0,0|1,0,0]=3 2415 B10R0.1 C=CCCOCC(=O)COC 2c0643e301966c524eb5beec8f427830 [1,1,0,0,0,0|2,0,0]=4 2416 B10R0.1 C=CCCOCC(=O)NCC 35d49eb59b9b9ffdf4ad35fc6583e816 [1,1,0,0,0,0|2,0,0]=4 2417 B10R0.1 C=CCCOCC(=O)OCC ca2a012c9c19ec05860d3b7f4ff94511 [1,1,0,0,0,0|2,0,0]=4 2418 B10R0.1 C=CCNCCC(=O)OCC b27ea27ad794acb73774bcb886627aa9 [1,1,0,0,0,0|2,0,0]=4 2419 B10R0.1 C=CCOCCC(=O)OCC 3ac4b62ca23069a0ea5e50f1a30c29b0 [1,1,0,0,0,0|2,0,0]=4 2420 B10R0.1 C=COCCNC(=O)CCC a995981fed32940e7cdf5ac624ab974f [1,1,0,0,0,0|2,0,0]=4 2421 B10R0.1 CC=CCNCC(=O)CCC 82640ac2c5fa5f7a65f6439c940d2283 [1,1,0,0,0,0|1,0,1]=4 2422 B10R0.1 CC=CCOCC(=O)CCC 8f6ba979a3d95982df241a72b750c80a [1,1,0,0,0,0|1,0,1]=4 2423 B10R0.1 CCCC(=O)CNCCC#N c906abeb0acd59261d6b48e3a839571c [1,1,0,0,0,0|1,0,1]=4 2424 B10R0.1 CCCC(=O)CNCCCCl c0f1363d0e8689562363b48372f1c1fb [1,1,0,0,0,0|1,0,1]=4 2425 B10R0.1 CCCC(=O)CNCCCO af23909a43cb4df58e0bd24d961ffff2 [1,1,0,0,0,0|0,0,1]=3 2426 B10R0.1 CCCC(=O)CNCCOC 317e67aceabfbe7a232fb2e03d7a50fc [1,1,0,0,0,0|1,0,1]=4 2427 B10R0.1 CCCC(=O)CNCCON ec45a05a1a39129911970a8874e7fab4 [1,1,0,0,0,0|1,0,1]=4 2428 B10R0.1 CCCC(=O)CNCCSC 3695c07515b783531beb51fbbf72d8bd [1,1,0,0,0,0|2,0,0]=4 2429 B10R0.1 CCCC(=O)COC/C=C/Cl d6024e8bb75eb3c96c9b440758570c27 [1,1,0,0,0,0|1,0,1]=4 2430 B10R0.1 CCCC(=O)COCC=CCl 4042f5df871c9edf6b768688a3fe68a2 [1,1,0,0,0,0|1,0,1]=4 2431 B10R0.1 CCCC(=O)COCCC#N de2911d958dfedb1968ade1bc892e1fd [1,1,0,0,0,0|1,0,1]=4 2432 B10R0.1 CCCC(=O)COCCC=O a3f44f7038af8e0629e44e7280315658 [1,1,0,0,0,0|0,0,0]=2 2433 B10R0.1 CCCC(=O)COCCCF 62bf1ed7b351b58b6ed0990794725915 [1,1,0,0,0,0|1,0,1]=4 2434 B10R0.1 CCCC(=O)COCCCS 019fcf2db5438ee1091d1c151725150a [1,1,0,0,0,0|0,1,1]=4 2435 B10R0.1 CCCC(=O)COCCOC a601e67880a5e9a5fc70d75a9a8aab5b [1,1,0,0,0,0|1,0,1]=4 2436 B10R0.1 CCCC(=O)COCCSC bb4a6374ae7cadeee3ba62422eca67c7 [1,1,0,0,0,0|2,0,0]=4 2437 B10R0.1 CCCC(=O)NCCCC#N cf2eb2b08ac770f0ecc60b81767531c8 [1,1,0,0,0,0|1,0,1]=4 2438 B10R0.1 CCCC(=O)NCCCCCl f671a3330fe2c47b146f725c22547753 [1,1,0,0,0,0|1,0,1]=4 2439 B10R0.1 CCCC(=O)NCCCCO 5dcc5934786fd672ded2e88e6ca59c07 [1,1,0,0,0,0|0,0,1]=3 2440 B10R0.1 CCCC(=O)NCCCCS 4ffd987e848f5ce52a73d93f5062b35c [1,1,0,0,0,0|0,1,1]=4 2441 B10R0.1 CCCC(=O)NCCCOC 7712654c76c69518ffc7db7f1c70c47f [1,1,0,0,0,0|1,0,1]=4 2442 B10R0.1 CCCC(=O)NCCCSC 0162770f8d54f07949cd04a73d25d9ee [1,1,0,0,0,0|2,0,0]=4 2443 B10R0.1 CCCC(=O)OCNCCO a51bae12876ca95add56b81db6ac58f9 [1,1,0,0,0,0|1,0,1]=4 2444 B10R0.1 CCCC(=S)OCCCC=O ee7e8872e425d6f5224cb761edeae8a2 [1,1,0,0,0,0|0,1,0]=3 2445 B10R0.1 CCCC(C)CCOCC=O c1e9fcbf0eb293393c2975fdb495e5f0 [1,1,0,0,0,0|1,0,1]=4 2446 B10R0.1 CCCC(C)COCCC=O f7e94c86a6b2002d55153d1bad55cd4e [1,1,0,0,0,0|1,0,1]=4 2447 B10R0.1 CCCC(C)NCCCC=O 98cac310e435b5f86beefe0c8adb90ce [1,1,0,0,0,0|1,0,1]=4 2448 B10R0.1 CCCC(C)OCCCC=O 45d65a1e75906660ff9b099340345a0a [1,1,0,0,0,0|1,0,1]=4 2449 B10R0.1 CCCC(O)CNCCC=O 1d83258ab3ef70d4a805b0441f840c87 [1,1,0,0,0,0|0,0,2]=4 2450 B10R0.1 CCCC(S)CCOCC=O 959c649e837c165eceb241e0fdb98fe0 [1,1,0,0,0,0|0,1,1]=4 2451 B10R0.1 CCCCCNC(=O)CCC cd3617b761f054cae655d3c214537a01 [1,1,0,0,0,0|1,0,1]=4 2452 B10R0.1 CCCCNCC(=O)CCC 453fddd4efd403580a47150fb6a1b943 [1,1,0,0,0,0|1,0,1]=4 2453 B10R0.1 CCCCOCC(=O)CCC 3c18382cf685be3b48662cc000c9f11f [1,1,0,0,0,0|1,0,1]=4 2454 B10R0.1 CCCN(C)CCCCC=O 8e618c5013bf353a59aa0d1f57ef7665 [1,1,0,0,0,0|2,0,0]=4 2455 B10R0.1 CCCN(C)CCOCC=O 2061575102a04f84b780fea2e7492c1a [1,1,0,0,0,0|2,0,0]=4 2456 B10R0.1 CCC[C@@H](C)OCCCC=O 1e58144f1ea3347817129ca8d99303db [1,1,0,0,0,0|1,0,1]=4 2457 B10R0.1 CCC[C@H](C)NCCCC=O c42b4f5441007fcd9a22701fbcf46156 [1,1,0,0,0,0|1,0,1]=4 2458 B10R0.1 CCC[C@H](C)OCCCC=O d6766811a44286931f53e6f6e5e0222d [1,1,0,0,0,0|1,0,1]=4 2459 B10R0.1 CCNC(=O)CCNCCO 95ddb3d67ac0bdfce705a73f9d453a8e [1,1,0,0,0,0|1,0,1]=4 2460 B10R0.1 CCNC(=O)CNC/C=C\O 2409c62936050ef1f5d7ebd9bbd6b8a0 [1,1,0,0,0,0|1,0,1]=4 2461 B10R0.1 CCNC(=O)CNCCC=O 67788759fb0a177ac424d772a6b47b1c [1,1,0,0,0,0|1,0,0]=3 2462 B10R0.1 CCNC(=O)CNCCCO 2aa5f1a756a42010184170770de4d7d0 [1,1,0,0,0,0|1,0,1]=4 2463 B10R0.1 CCNC(=O)COCCC=O ba027a16b5f826b2083d6659751743e9 [1,1,0,0,0,0|1,0,0]=3 2464 B10R0.1 CCOC(=O)CCCNC=O 86a05c2160bc257b0fc4adb3a0dc4189 [1,1,0,0,0,0|1,0,0]=3 2465 B10R0.1 CCOC(=O)CCCNCO 6ad8e394886b5bbcf235085ec2778bb5 [1,1,0,0,0,0|1,0,1]=4 2466 B10R0.1 CCOC(=O)CCNCC=O f69e364b5cadae09b04a32eac9d6dbc6 [1,1,0,0,0,0|1,0,0]=3 2467 B10R0.1 CCOC(=O)CCNCCO c103a6e0970c0aff3c29210fe93324f0 [1,1,0,0,0,0|1,0,1]=4 2468 B10R0.1 CCOC(=O)CCOCC=O 6d15dd620e80b8f0e6d73840ed17e4b9 [1,1,0,0,0,0|1,0,0]=3 2469 B10R0.1 CCOC(=O)CNC/C=C\O 472e8900b6ec1056a313187253b5209f [1,1,0,0,0,0|1,0,1]=4 2470 B10R0.1 CCOC(=O)CNCCC=O fc68b9ee2ea09eabacf0c854c56ee901 [1,1,0,0,0,0|1,0,0]=3 2471 B10R0.1 CCOC(=O)CNCCCO e6ca78830304e337859e0c6e5fd7adb3 [1,1,0,0,0,0|1,0,1]=4 2472 B10R0.1 CCOC(=O)COCCC=O 325f694203bab272759ae406db84a6be [1,1,0,0,0,0|1,0,0]=3 2473 B10R0.1 COCC(=O)CNCCCO 181e49546b4568ff81ba4a23379b051f [1,1,0,0,0,0|1,0,1]=4 2474 B10R0.1 COCC(=O)COCCC=O dfdcefc6e0a741bc29135f840fd82bb6 [1,1,0,0,0,0|1,0,0]=3 2475 B10R0.1 COCC(=O)NCCCCO 9788392c77d4b9388dfcec5602286f1d [1,1,0,0,0,0|1,0,1]=4 2476 B10R0.1 CSCC(=O)NCCCCO b5716720caa9ef6737a301802ba2bb6d [1,1,0,0,0,0|1,0,1]=4 2477 B10R0.1 O=C(CCF)NCCCCO 7ca3d07f8aa6c3791730aa748f304038 [1,1,0,0,0,0|1,0,1]=4 2478 B10R0.1 O=C(CCO)NCCCCO eb8190f503184dce54f6503361fba3c2 [1,1,0,0,0,0|1,0,1]=4 2479 B10R0.1 O=C(CCS)NCCCCO b8d3238d1c88465a91908b8a194ebaf3 [1,1,0,0,0,0|1,0,1]=4 2480 B10R0.2 C=CCN(C)CC(=O)CCC e3901411b0c1377aa364c61d5c684105 [1,1,0,0,0,0|2,0,0]=4 2481 B10R0.2 CCCC(=O)CN(C)CCO 81b8fff8b10e42c28336d0547302e36f [1,1,0,0,0,0|1,0,1]=4 2482 B10R0.2 CCCC(=O)NC(C)CCO 5919b60c107cc1ebaf9d386a0f33a7c3 [1,1,0,0,0,0|1,0,1]=4 2483 B10R0.2 CCCC(=O)N[C@@H](C)CCO 932b928501cefed5a897b0c541a84c74 [1,1,0,0,0,0|1,0,1]=4 2484 B10R0.2 CCCC(=O)N[C@H](C)CCO 194b81205d9e7b862e31fe13833f72fe [1,1,0,0,0,0|1,0,1]=4 2485 B10R0.2 CCOC(=O)CC(C)NC=O dd8b15a77b5d78862579a404f86f0e47 [1,1,0,0,0,0|2,0,0]=4 2486 B10R0.19 C=CCCN(C)C(=O)CCC 6b6aa614804eb1720f2f6136313ea366 [1,1,0,0,0,0|2,0,0]=4 2487 B10R0.19 CCCC(=O)N(C)CCCO aa526b2cb34561ea37f14fc606f15b54 [1,1,0,0,0,0|1,0,1]=4 2488 B10R0.19 CCNC(=O)[C@H](C)NCC=O f853878cd674ec55b960ff295da2c99a [1,1,0,0,0,0|2,0,0]=4 2489 B10R0.19 CCOC(=O)C(C)CNC=O bed2fd71dc9bb7980ae2f217b27b0fdb [1,1,0,0,0,0|2,0,0]=4 2490 B10R0.19 CCOC(=O)C(C)OCC=O cf6cab0c3795d7f7ec6eed23be2e7e3d [1,1,0,0,0,0|2,0,0]=4 2491 B10R0.19 CCOC(=O)[C@@H](C)NCC=O 547b522acc4f4cdc45373508f073a278 [1,1,0,0,0,0|2,0,0]=4 2492 B10R0.19 CCOC(=O)[C@@H](C)OCC=O 13ac69e6277e243c82e2b43a48383520 [1,1,0,0,0,0|2,0,0]=4 2493 B10R0.19 CCOC(=O)[C@H](C)OCC=O ef3bf9b52e9524b1d7e12e7dcb4dfc50 [1,1,0,0,0,0|2,0,0]=4 2494 B10R0.24 CCCN(CC)CCCC=O f97f9475ebd0e7d79b2d9d5de9693091 [1,1,0,0,0,0|2,0,0]=4 2495 B10R0.83 C=CCCCC(=O)N(C)CC 376718b1aec97d869c37e48ae89695cd [1,1,0,0,0,0|2,0,0]=4 2496 B10R0.83 C=CCCNC(=O)C(O)CC 3ad12369ec37a3b911966477903d9929 [1,1,0,0,0,0|2,0,0]=4 2497 B10R0.83 C=CCCNC(=O)[C@@H](O)CC 54a97f5e5566a47598b0c0f8a1419703 [1,1,0,0,0,0|2,0,0]=4 2498 B10R0.83 C=CCCNC(=O)[C@@H](S)CC 7bfa201f66fbd6c43dfc36eb81a64ee2 [1,1,0,0,0,0|2,0,0]=4 2499 B10R0.83 C=CCCNC(=O)[C@H](O)CC 660f8b9eb811f01784922e7c9a0b194e [1,1,0,0,0,0|2,0,0]=4 2500 B10R0.83 CCC(C)C(=O)CNCCO 71b4810267726a0beba1c5c849506a5b [1,1,0,0,0,0|1,0,1]=4 2501 B10R0.83 CCC(C)N(C)CCCC=O 6aad05cfceb2c952a02004c344ce960d [1,1,0,0,0,0|2,0,0]=4 2502 B10R0.83 CCC(O)C(=O)NCCCO 2406374cdf2c85dcb9e6f87639fd940b [1,1,0,0,0,0|1,0,1]=4 2503 B10R0.83 CCN(C)C(=O)CCCC=O 513799919172289b4c331b853e7e974e [1,1,0,0,0,0|1,0,0]=3 2504 B10R0.83 CCN(C)C(=O)CCCCO 622ab477291ad551178150267858eda6 [1,1,0,0,0,0|1,0,1]=4 2505 B10R0.83 CCN(C)C(=O)CNCC=O b7931fb65b2b3c9477ace15201060b30 [1,1,0,0,0,0|2,0,0]=4 2506 B10R0.83 CC[C@@H](O)C(=O)NCCCO ac6d552f2281f6fb11c74acdef51635d [1,1,0,0,0,0|1,0,1]=4 2507 B10R0.83 CC[C@H](O)C(=O)NCCCO 07e1ec970f418d460b98f9ea6d72bd3d [1,1,0,0,0,0|1,0,1]=4 2508 B10R0.83 CC[C@H](S)C(=O)NCCCO 306b56de5184e53997df2309b774e8e5 [1,1,0,0,0,0|1,0,1]=4 2509 B10R0.91 C#CCCCC(=O)NCCC 00bffe1ead2ef89b93dfcf498f5db805 [1,1,0,0,0,0|1,0,1]=4 2510 B10R0.91 C#CCNC(=O)CCCC=O 0290829df0724df22c341737bbc08ec1 [1,1,0,0,0,0|0,0,2]=4 2511 B10R0.91 C=CCCCC(=O)NCCBr 839d9300d2c7ebacfee6aad7b1e4002e [1,1,0,0,0,0|2,0,0]=4 2512 B10R0.91 C=CCCCC(=O)NCCC 711c26831a61ec4c93ba9b4bcdfa02df [1,1,0,0,0,0|1,0,0]=3 2513 B10R0.91 C=CCCCC(=O)NCCF d06f05a2ba0624e66696731666e4075b [1,1,0,0,0,0|2,0,0]=4 2514 B10R0.91 C=CCCCC(=O)NCCI 122353b534b3d465575b0fce22009659 [1,1,0,0,0,0|2,0,0]=4 2515 B10R0.91 C=CCCCC(=O)NCCO 40ba5e96a72b4b77dc84d26078804085 [1,1,0,0,0,0|2,0,0]=4 2516 B10R0.91 C=CCCCC(=O)NCCS f6748715f411776cd7affbc1a4231d48 [1,1,0,0,0,0|2,0,0]=4 2517 B10R0.91 C=CCCNC(=O)CCCC 69c4edbb5c60d786a453503b63dbd91a [1,1,0,0,0,0|2,0,0]=4 2518 B10R0.91 C=CCCNC(=O)CCCF c801b98028089419834beb4483dd322d [1,1,0,0,0,0|2,0,0]=4 2519 B10R0.91 C=CCCNC(=O)CCCS 3610749a3a57ed9de898834dbd362d16 [1,1,0,0,0,0|2,0,0]=4 2520 B10R0.91 C=CCCNC(=O)CCOC b6a47d36cb407eff20f2ec91d626a0e2 [1,1,0,0,0,0|2,0,0]=4 2521 B10R0.91 C=CCCNC(=O)CCSC 629570157734472777748b5e72c80992 [1,1,0,0,0,0|2,0,0]=4 2522 B10R0.91 C=CCCNC(=O)COCC 7beedb04c099b02f8e0c25cceefd9cfa [1,1,0,0,0,0|2,0,0]=4 2523 B10R0.91 C=CCCNC(=O)CSCC 4447f2c27f7345cd7a62595a0197c2ea [1,1,0,0,0,0|2,0,0]=4 2524 B10R0.91 C=CCCNC(=O)NCCC 24529862e5cb083f4bec92859e0314d5 [1,1,0,0,0,0|2,0,0]=4 2525 B10R0.91 C=CCNCC(=O)NCCC f3f804c27731123c4eeffa7683f26fe3 [1,1,0,0,0,0|2,0,0]=4 2526 B10R0.91 C=CCOCC(=O)NCCC 669229a3d827ee8564ec608831f19999 [1,1,0,0,0,0|2,0,0]=4 2527 B10R0.91 C=CCSCC(=O)NCCC 818b0bafb143438299d9ab2b3a08019e [1,1,0,0,0,0|2,0,0]=4 2528 B10R0.91 CC=CCCC(=O)NCCC df5f18c0a3dc2e8e1c690fac3e9556f8 [1,1,0,0,0,0|1,0,1]=4 2529 B10R0.91 CCCCC(=O)NCCCO a506e03803236b22b3ae12611eccbe7c [1,1,0,0,0,0|1,0,1]=4 2530 B10R0.91 CCCCCC(=O)NCCC 476273c2f4455ec9a0886335ed7ef341 [1,1,0,0,0,0|1,0,1]=4 2531 B10R0.91 CCCCN(C)CCCC=O 5212f6b8d0aab536081cf6e572c7865a [1,1,0,0,0,0|2,0,0]=4 2532 B10R0.91 CCCNC(=O)CCCC#N a08c5f31792f4e0cb1d5c764d02ffc67 [1,1,0,0,0,0|1,0,1]=4 2533 B10R0.91 CCCNC(=O)CCCC=O c163bedd16275fcbbd59f71dd0276dd1 [1,1,0,0,0,0|0,0,0]=2 2534 B10R0.91 CCCNC(=O)CCCCF 52b734d8c4d54e3a8a30180636c55039 [1,1,0,0,0,0|1,0,1]=4 2535 B10R0.91 CCCNC(=O)CCCCO 8579912c0ebfc7cd5885587b4db2a847 [1,1,0,0,0,0|0,0,1]=3 2536 B10R0.91 CCCNC(=O)CCCCS 835528c0eae9e13b3d035166dc558ccf [1,1,0,0,0,0|0,1,1]=4 2537 B10R0.91 CCCNC(=O)CCCOC a5e2d1ac29c442ac5d22076049e634e1 [1,1,0,0,0,0|2,0,0]=4 2538 B10R0.91 CCCNC(=O)CCCSC aa203c0b5604f7443b39ec139b1594a1 [1,1,0,0,0,0|2,0,0]=4 2539 B10R0.91 CCCNC(=O)CNCC=O fa1651a087fec2aa0d07c1c1b524108d [1,1,0,0,0,0|1,0,0]=3 2540 B10R0.91 CCCNC(=O)CNCCO 88c13b2efc5eb89db657fde1c0255197 [1,1,0,0,0,0|1,0,1]=4 2541 B10R0.91 CCCNC(=O)COCCO 02df34206146785ad6594f0d2fd4c6ae [1,1,0,0,0,0|1,0,1]=4 2542 B10R0.91 CCCNC(=O)NCCCO 63a6a2a86470ccd63a7e40c0827e9a44 [1,1,0,0,0,0|1,0,1]=4 2543 B10R0.91 CCCOC(=O)CNCCO fac9a011e620b586dab4b1bbde0f7f1c [1,1,0,0,0,0|1,0,1]=4 2544 B10R0.91 CCOCC(=O)NCCCO 73ecebf06bfaf05fcf351a839b737112 [1,1,0,0,0,0|1,0,1]=4 2545 B10R0.91 CCSCC(=O)NCCCO 17a32710ac22e4a99af6a47df5d1b9d2 [1,1,0,0,0,0|1,0,1]=4 2546 B10R0.91 CN(CCCO)CCCC=O 9391932f6ce860c3a7f9b51d05b56152 [1,1,0,0,0,0|2,0,0]=4 2547 B10R0.91 COCCC(=O)NCCCO 60610cf07fc72f4151953b16ec38236a [1,1,0,0,0,0|1,0,1]=4 2548 B10R0.91 COCCN(C)CCCC=O afcd7fb0df9347eb247e61c05b403b4e [1,1,0,0,0,0|2,0,0]=4 2549 B10R0.91 CSCCC(=O)CNCCO deafc8766db36e787fcf704cb801720a [1,1,0,0,0,0|1,0,1]=4 2550 B10R0.91 CSCCC(=O)NCCCO c311576971c5628c54601762b2c2ff76 [1,1,0,0,0,0|1,0,1]=4 2551 B10R0.91 CSCCN(C)CCCC=O b4e47458b3dc415088ab3e8af80164f7 [1,1,0,0,0,0|2,0,0]=4 2552 B10R0.91 N#CCNC(=O)CCCC=O 7c54b8840dd7f2f257a783e4beb19691 [1,1,0,0,0,0|1,0,1]=4 2553 B10R0.91 O=C(CCCCO)NCCBr b7c9f480e1e59ebe4a533c746f47433d [1,1,0,0,0,0|1,0,1]=4 2554 B10R0.91 O=C(CCCCO)NCCF e32d9a6c722de4d9a992a4550b59b6d3 [1,1,0,0,0,0|1,0,1]=4 2555 B10R0.91 O=C(CCCCO)NCCI 7ad2aff4977ec9ad838fca2c90655771 [1,1,0,0,0,0|1,0,1]=4 2556 B10R0.91 O=C(CCCCO)NCCO 323cb3b6a3e52221c1c90102c8d5b244 [1,1,0,0,0,0|1,0,1]=4 2557 B10R0.91 O=C(CCCCO)NCCS 16f8b71945f3e8be5969be0ad59245bb [1,1,0,0,0,0|1,0,1]=4 2558 B10R0.91 O=C(CCCF)NCCCO 53b45cc0798c01ecdd0a631d3019c370 [1,1,0,0,0,0|1,0,1]=4 2559 B10R0.91 O=C(CCCS)NCCCO 09206a1384d82aefe8cc7f5957fb30d6 [1,1,0,0,0,0|1,0,1]=4 2560 B10R0.91 O=CCCCC(=O)NCCBr d2d0456759f451dcd97f914ac95f09f2 [1,1,0,0,0,0|1,0,0]=3 2561 B10R0.91 O=CCCCC(=O)NCCF 8a8ec10c811566fdbc42e07afa373227 [1,1,0,0,0,0|1,0,0]=3 2562 B10R0.91 O=CCCCC(=O)NCCI 81b31ad549d98f0b12df3b46a3b236a8 [1,1,0,0,0,0|1,0,0]=3 2563 B10R0.91 O=CCCCC(=O)NCCO f5a3b7f2ab9b67a2a6429499bf07400b [1,1,0,0,0,0|1,0,0]=3 2564 B10R0.91 O=CCCCC(=O)NCCS 884e19bccb6c46acb0aed66e7de0afb7 [1,1,0,0,0,0|1,0,0]=3 2565 B10R0.91 O=CCNCC(=O)NCCO 795742d82f2bba00a31af04f0aa6a12d [1,1,0,0,0,0|2,0,0]=4 2566 B10R0.108 C=C(C=O)OCC(=O)CCC 3f3d184dd5c708f9c60e497eb3b0a367 [1,1,0,0,0,0|1,0,1]=4 2567 B10R0.108 C=CC(C)NCC(=O)CCC 7c1005f1873b9b53e80c3bdfed19be1e [1,1,0,0,0,0|2,0,0]=4 2568 B10R0.108 C=CC(C)OCC(=O)CCC bb9528ba6a8d0a59b62b52530b6b5307 [1,1,0,0,0,0|2,0,0]=4 2569 B10R0.108 C=CC(O)CNC(=O)CCC 082c20db2214970ada73526052ea9865 [1,1,0,0,0,0|2,0,0]=4 2570 B10R0.108 C=C[C@H](C)OCC(=O)CCC f2a9b73dbda340571a82d79b5c123eb4 [1,1,0,0,0,0|2,0,0]=4 2571 B10R0.108 CCCC(=O)CNC(C)CO 623d83aaa974eb29f1a3cccef65393c2 [1,1,0,0,0,0|1,0,1]=4 2572 B10R0.108 CCCC(=O)CN[C@@H](C)CO 0a0036253e336698c95c398c99a22178 [1,1,0,0,0,0|1,0,1]=4 2573 B10R0.108 CCCC(=O)CN[C@H](C)CO 0e13f354d9bfaba0b0ec904cccc3572b [1,1,0,0,0,0|1,0,1]=4 2574 B10R0.108 CCCC(=O)COC(C)C=O d6e844d060256503bf10b5adb8ed080b [1,1,0,0,0,0|1,0,0]=3 2575 B10R0.108 CCCC(=O)NCC(C)CO b78a36e813fb23c724929b442391aec1 [1,1,0,0,0,0|1,0,1]=4 2576 B10R0.108 CCCC(=O)NCC(F)CO e82acb7919e86cb5e0430b08f0a89d08 [1,1,0,0,0,0|1,0,1]=4 2577 B10R0.108 CCCC(=O)NCC(O)CO 0483b411667cc5f0ad96ba6bcc7a68b9 [1,1,0,0,0,0|1,0,1]=4 2578 B10R0.108 CCCC(=O)NC[C@@H](F)CO 427c86ec144f8ddfb9dc1df40d352bb8 [1,1,0,0,0,0|1,0,1]=4 2579 B10R0.108 CCCC(=O)NC[C@@H](O)CO 2071a3b63cf42cc1bf372b50a34963e5 [1,1,0,0,0,0|1,0,1]=4 2580 B10R0.108 CCCC(=O)NC[C@H](C)CO 3235276eaa49b26ed831c09e835790df [1,1,0,0,0,0|1,0,1]=4 2581 B10R0.108 CCCC(=O)NC[C@H](F)CO 74319261c7010cdf44ff3073deca455f [1,1,0,0,0,0|1,0,1]=4 2582 B10R0.108 CCCC(=O)NC[C@H](O)CO 89e3bf4751a24a33f5741b26663eb5f9 [1,1,0,0,0,0|1,0,1]=4 2583 B10R0.108 CCNC(=O)CNC(C)C=O 9f07b75c1b7f60b0e1de288baac7365c [1,1,0,0,0,0|2,0,0]=4 2584 B10R0.108 CCNC(=O)CN[C@H](C)C=O 11b658c539467fcb20e24804e44658c3 [1,1,0,0,0,0|2,0,0]=4 2585 B10R0.108 CCNC(=O)COC(C)C=O 5e1b799ea095a262397b69aa95040b17 [1,1,0,0,0,0|2,0,0]=4 2586 B10R0.108 CCNC(=O)CO[C@H](C)C=O 54e7bb4cb71f2261d1d33e22dc7b2fac [1,1,0,0,0,0|2,0,0]=4 2587 B10R0.108 CCOC(=O)CCN(C)C=O 18b75e56805282ae6f7430b4a3f5434e [1,1,0,0,0,0|2,0,0]=4 2588 B10R0.108 CCOC(=O)CNC(C)C=O 66bc0f6d15476418d42cb769f731525c [1,1,0,0,0,0|2,0,0]=4 2589 B10R0.108 CCOC(=O)CN[C@H](C)C=O 7053be303ce29ad6b0baa2e6a9f98e24 [1,1,0,0,0,0|2,0,0]=4 2590 B10R0.108 CCOC(=O)COC(C)C=O 9828b39f0b1a60764109f4aca03d60be [1,1,0,0,0,0|2,0,0]=4 2591 B10R0.108 CCOC(=O)CO[C@H](C)C=O fb0f6f546273406c399de333bc94e9be [1,1,0,0,0,0|2,0,0]=4 2592 B10R0.108 COCC(=O)COC(C)C=O 59fafe374b84c98ac98a9c044e434cf4 [1,1,0,0,0,0|2,0,0]=4 2593 B10R0.26 CCCC(=O)NC(C)C(=O)N 410dec763cbd6c5607ff2ea1c0f4fdf7 [0,1,0,0,1,0|2,0,0]=4 2594 B10R0.26 CCCC(=O)N[C@@H](C)C(=O)N 9fe801420e9733138a1e5f04c95ddce8 [0,1,0,0,1,0|2,0,0]=4 2595 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 25bf3ee70938f81b2062bd752a3760ae [0,1,0,0,1,0|2,0,0]=4 2596 B10R0.26 CCCC(=S)OC(C)C(=O)O 56abf91826fad88334f0b94631fd9883 [0,1,0,0,1,0|1,1,0]=4 2597 B10R0.26 CCCC(=S)OC(F)C(=O)O 503628163a4033fccb7add9419010899 [0,1,0,0,1,0|1,1,0]=4 2598 B10R0.26 CCCC(=S)O[C@@H](C)C(=O)O 2164828b39f86d4098f0a46bbdd56c16 [0,1,0,0,1,0|1,1,0]=4 2599 B10R0.26 CCCC(=S)O[C@@H](F)C(=O)O 1ba1c50481a12e3debf59a1cbce6df0d [0,1,0,0,1,0|1,1,0]=4 2600 B10R0.26 CCCC(=S)O[C@H](C)C(=O)O 419709dbd6187b3838525bed7b88984b [0,1,0,0,1,0|1,1,0]=4 2601 B10R0.26 CCCN(C)CC(C)C(=O)O 11201fbb47f78bfeec2a0cfc49112b70 [0,1,0,0,1,0|2,0,0]=4 2602 B10R0.26 CCCN(C)CC(O)C(=O)O 2a482740c1ee9c1dd534a9818ec2501b [0,1,0,0,1,0|2,0,0]=4 2603 B10R0.26 CCCN(C)C[C@H](O)C(=O)O 5d48a5bd3542ce66f2b5dbe85cf41917 [0,1,0,0,1,0|2,0,0]=4 2604 B10R0.32 CCCC(=O)N(C)CC(=O)N 570ce305aa85dbaef9546d1def8844ec [0,1,0,0,1,0|2,0,0]=4 2605 B10R0.32 CCCN(C)C(C)CC(=O)O 9eea76398ca6ba8c97de584dce43342c [0,1,0,0,1,0|2,0,0]=4 2606 B10R0.96 CC(=O)CNC(=O)CC(C)C f47b66ad739944a1d12c63e734760749 [0,1,0,0,1,0|2,0,0]=4 2607 B10R0.96 CC(=O)CNC(=O)CC(C)O 9917594680f0f4390836e6aa9039bfaa [0,1,0,0,1,0|2,0,0]=4 2608 B10R0.96 CC(=O)CNC(=O)C[C@@H](C)O 78cf3c9a473d63e6b047386f719632c8 [0,1,0,0,1,0|2,0,0]=4 2609 B10R0.96 CC(=O)CNC(=O)C[C@H](C)O c95597ac47ba1c2f63b70427f164ce30 [0,1,0,0,1,0|2,0,0]=4 2610 B10R0.96 CC(C)CC(=O)NCC(=O)N 7526552c1ad0222dfc69da7678f32a28 [0,1,0,0,1,0|2,0,0]=4 2611 B10R0.96 CC(C)CN(C)CCC(=O)O 3899810a9280c114c7a5d4bbfb785699 [0,1,0,0,1,0|2,0,0]=4 2612 B10R0.96 CC(O)CC(=O)NCC(=O)N f74de9f3eb6731eb42aeb565aefde634 [0,1,0,0,1,0|2,0,0]=4 2613 B10R0.96 CC(O)CN(C)CCC(=O)O 5cd2d766e32ec8cbf244cf2340d49508 [0,1,0,0,1,0|2,0,0]=4 2614 B10R0.96 C[C@@H](O)CC(=O)NCC(=O)N ffe488849a31b67bda18992c70683356 [0,1,0,0,1,0|2,0,0]=4 2615 B10R0.96 C[C@@H](O)CN(C)CCC(=O)O 4ac987206c21ec159a8a5e6388e54bdf [0,1,0,0,1,0|2,0,0]=4 2616 B10R0.96 C[C@H](O)CC(=O)NCC(=O)N ce2d1627eb7d7d304ccaad358f10d31a [0,1,0,0,1,0|2,0,0]=4 2617 B10R0.96 C[C@H](O)CN(C)CCC(=O)O cff3afb0257f5299451c68cbf5a3452c [0,1,0,0,1,0|2,0,0]=4 2618 B10R0.109 CCCC(=O)NCS(=O)(=O)O d51e628f85d20094c8d52e739f3b7b5e [0,1,0,0,1,0|2,0,0]=4 2619 B12R0.54 C=C(COCC(=O)O)C(=O)OCC bd19269d024b0b6538d065e27168cde4 [0,1,0,0,0,1|1,0,1]=4 2620 B12R0.54 CCCC(=O)C(=O)NCCC(=O)N 55f8a4c35a331ab90880e5b48b0f209c [0,1,0,0,0,1|1,0,1]=4 2621 B12R0.54 CCCC(=O)C(=O)NCCS(=O)O 983a5aec953beaf698c1d86f30653681 [0,1,0,0,0,1|1,0,1]=4 2622 B12R0.54 CCCC(=O)N(C)CCCC(=O)N dc15a54fbfb50f09331384d0d11bfbef [0,1,0,0,0,1|1,0,0]=3 2623 B12R0.54 CCCC(C)N(C)CCCC(=O)O 5e04f8c6413d7fe88ca31909e499b870 [0,1,0,0,0,1|1,0,1]=4 2624 B12R0.54 CCNC(=O)C(C)NCCC(=O)N a3bac7c3ee0d1c38a7e8618d7980281f [0,1,0,0,0,1|2,0,0]=4 2625 B12R0.54 CCNC(=O)C(C)NCCC(=O)O 1180f28fd94c11fa9ab7e29a5fecc306 [0,1,0,0,0,1|1,0,0]=3 2626 B12R0.54 CCNC(=O)C(C)NCCS(=O)O ad2b764d28b45fee80c75119f742d584 [0,1,0,0,0,1|2,0,0]=4 2627 B12R0.54 CCNC(=O)C(C)OCCC(=O)C ea0551f5f70bfb7e811025c30f49b0d8 [0,1,0,0,0,1|2,0,0]=4 2628 B12R0.54 CCNC(=O)C(C)OCCC(=O)N e71c56935ba62ef9728c431b3b0602a2 [0,1,0,0,0,1|2,0,0]=4 2629 B12R0.54 CCNC(=O)C(C)OCCC(=O)O f5546182d903653f8109a4878698a0eb [0,1,0,0,0,1|1,0,0]=3 2630 B12R0.54 CCNC(=O)[C@H](C)NCCC(=O)C dd14c43c9a99c40d251699aae05b5a2a [0,1,0,0,0,1|2,0,0]=4 2631 B12R0.54 CCNC(=O)[C@H](C)NCCC(=O)N c92fb05f4f063a0b3faeffab99c97a0b [0,1,0,0,0,1|2,0,0]=4 2632 B12R0.54 CCNC(=O)[C@H](C)NCCC(=O)O 83d2e48dfe3501c433f709a39e468a22 [0,1,0,0,0,1|1,0,0]=3 2633 B12R0.54 CCOC(=O)C(C)CNCC(=O)N edc4514624d6f1df0c3516c2a51397e8 [0,1,0,0,0,1|2,0,0]=4 2634 B12R0.54 CCOC(=O)C(C)CNCC(=O)O 6b31b85e94217f5fe44c5057dac17b5b [0,1,0,0,0,1|1,0,0]=3 2635 B12R0.54 CCOC(=O)C(C)COCC(=O)N 4930f02ddf505a7c77acf8c9c83a8317 [0,1,0,0,0,1|2,0,0]=4 2636 B12R0.54 CCOC(=O)C(C)COCC(=O)O c89c265ddf6f0437eb302700233976e6 [0,1,0,0,0,1|1,0,0]=3 2637 B12R0.54 CCOC(=O)C(C)NCCC(=O)N 56068ff0bae3475f5aa0c0fec11657a9 [0,1,0,0,0,1|2,0,0]=4 2638 B12R0.54 CCOC(=O)C(C)NCCC(=O)O 568c04d1f31a51f75b2840dc6ee0dbe3 [0,1,0,0,0,1|1,0,0]=3 2639 B12R0.54 CCOC(=O)C(C)NCCS(=O)O b3fc57190f7986c1573c7b0c3c995c22 [0,1,0,0,0,1|2,0,0]=4 2640 B12R0.54 CCOC(=O)C(C)OCCC(=O)C c5393b98eb25de698dc256f3bdb21f96 [0,1,0,0,0,1|2,0,0]=4 2641 B12R0.54 CCOC(=O)C(C)OCCC(=O)N 6a2a01b0893771b3c08b5e94eceeccb2 [0,1,0,0,0,1|2,0,0]=4 2642 B12R0.54 CCOC(=O)C(F)NCCC(=O)N dcdfc393a88e20b0d8aed9ab3f1f15ae [0,1,0,0,0,1|2,0,0]=4 2643 B12R0.54 CCOC(=O)C(F)NCCC(=O)O ce0f4493fef00b5130fbd8892e886611 [0,1,0,0,0,1|1,0,0]=3 2644 B12R0.54 CCOC(=O)C(F)NCCS(=O)O d8299cff677a411141b100709b5c7cd4 [0,1,0,0,0,1|2,0,0]=4 2645 B12R0.54 CCOC(=O)C(F)OCCC(=O)C 0d7511a2220e449251f9e5d097b84060 [0,1,0,0,0,1|2,0,0]=4 2646 B12R0.54 CCOC(=O)C(F)OCCC(=O)N 84dd4939c718b3b83f3160191d5de44f [0,1,0,0,0,1|2,0,0]=4 2647 B12R0.54 CCOC(=O)C(F)OCCC(=O)O bd9c34e5f1f5b6e42db27fb4743fe7fa [0,1,0,0,0,1|1,0,0]=3 2648 B12R0.54 CCOC(=O)C(O)CNCC(=O)C fe5eb5b929dff1f0464caf3af0ecfa04 [0,1,0,0,0,1|2,0,0]=4 2649 B12R0.54 CCOC(=O)C(O)CNCC(=O)N e444c6e8ea67084bb28d98503b72234d [0,1,0,0,0,1|2,0,0]=4 2650 B12R0.54 CCOC(=O)[C@@H](C)NCCC(=O)C 9d9227af9d12110020163eb3b49982a6 [0,1,0,0,0,1|2,0,0]=4 2651 B12R0.54 CCOC(=O)[C@@H](C)NCCC(=O)N 29b5d78e34d75d9d610b6449c9fe8482 [0,1,0,0,0,1|2,0,0]=4 2652 B12R0.54 CCOC(=O)[C@@H](C)NCCC(=O)O 823c2ed450a0359e8be86badd7946679 [0,1,0,0,0,1|1,0,0]=3 2653 B12R0.54 CCOC(=O)[C@@H](C)NCCS(=O)O 462e6531b4b349f11f9358cacfc940ed [0,1,0,0,0,1|2,0,0]=4 2654 B12R0.54 CCOC(=O)[C@@H](C)OCCC(=O)C e7383734851dece076cb3c9806d6a572 [0,1,0,0,0,1|2,0,0]=4 2655 B12R0.54 CCOC(=O)[C@@H](C)OCCC(=O)N d2cbe60aecae0f9226f6cb6a2bf8758d [0,1,0,0,0,1|2,0,0]=4 2656 B12R0.54 CCOC(=O)[C@H](C)NCCC(=O)N fd64da1c61311865b4adbf7e40d41887 [0,1,0,0,0,1|2,0,0]=4 2657 B12R0.54 CCOC(=O)[C@H](C)NCCC(=O)O e6b387a43e10b4c7251b581362923e1a [0,1,0,0,0,1|1,0,0]=3 2658 B12R0.54 CCOC(=O)[C@H](C)NCCS(=O)O b66ec7e855a18da1fd9f0b477c6fb94b [0,1,0,0,0,1|2,0,0]=4 2659 B12R0.54 CCOC(=O)[C@H](C)OCCC(=O)C 8c3a2d5cd325ae8dbd67797a9ef98c10 [0,1,0,0,0,1|2,0,0]=4 2660 B12R0.54 CCOC(=O)[C@H](C)OCCC(=O)N 14cf025be8b2c2d8c4c8d618090e10cf [0,1,0,0,0,1|2,0,0]=4 2661 B12R0.54 CN(CCCC(=O)N)C(=O)CCF 1e49557bbb7e0392c70987672c4cf41e [0,1,0,0,0,1|2,0,0]=4 2662 B12R0.54 CN(CCCC(=O)N)C(=O)CCO 717233c1d3e10216d0c5295ad07eb22c [0,1,0,0,0,1|2,0,0]=4 2663 B12R0.54 CN(CCCC(=O)N)C(=O)CCS 2bc2f022abbc31408207e5060d7281f3 [0,1,0,0,0,1|2,0,0]=4 2664 B12R0.54 COCC(=O)N(C)CCCC(=O)N 025c32e3f960a445499452930667d61f [0,1,0,0,0,1|2,0,0]=4 2665 B12R0.54 CSCC(=O)N(C)CCCC(=O)N e4f58012abd47fa21bb0fe9e01643861 [0,1,0,0,0,1|2,0,0]=4 2666 B12R0.72 CCCC(=O)CNCCC(C)(C)O 518816e6bb13b8a91898d06182d3e717 [0,1,0,0,0,1|1,0,1]=4 2667 B12R0.72 CCCC(=O)CNCCS(=O)(=O)C 2574944f378a7c9422b348d037839f46 [0,1,0,0,0,1|1,0,1]=4 2668 B12R0.72 CCCC(=O)CNCCS(=O)(=O)N dc04ad7f6a92142ebfc061b49cd51133 [0,1,0,0,0,1|1,0,1]=4 2669 B12R0.72 CCCC(=O)CNCCS(=O)(=O)O 52f2e5ab71953558232051c821880536 [0,1,0,0,0,1|1,0,0]=3 2670 B12R0.72 CCCC(=O)COCCS(=N)(=O)C 2721132a171b23dba999b3376053e3c8 [0,1,0,0,0,1|2,0,0]=4 2671 B12R0.72 CCCC(=O)COCCS(=O)(=O)C ec696172538a947ef60a753fd881ab1f [0,1,0,0,0,1|1,0,1]=4 2672 B12R0.72 CCCC(=O)COCCS(=O)(=O)O a2dd0875c4f66d21cb5404beae33bd67 [0,1,0,0,0,1|1,0,0]=3 2673 B12R0.72 CCCC(=O)NCCCC(C)(C)O 333acbffe143156fd9fe509d7213535d [0,1,0,0,0,1|1,0,1]=4 2674 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C 3e8f3c1fe3d927e3a486a0390bf9cd6e [0,1,0,0,0,1|1,0,1]=4 2675 B12R0.72 CCCC(=O)NCCCS(=O)(=O)O 57cc5db32eb50cb03eb55b213c313260 [0,1,0,0,0,1|1,0,0]=3 2676 B12R0.72 CCCC(=O)NCCOS(=O)(=O)O 8fa16fa6738ec8878621aaa5065894ed [0,1,0,0,0,1|2,0,0]=4 2677 B12R0.72 CCCC(=O)OCNCS(=O)(=O)O 0d9b31664d4707b33822c1fd85ed3225 [0,1,0,0,0,1|2,0,0]=4 2678 B12R0.72 CCCC(=S)OCCCS(=O)(=O)O ca7b8f68c2882d2098ba88b6112516d4 [0,1,0,0,0,1|1,1,0]=4 2679 B12R0.72 CCNC(=O)CCNCS(=O)(=O)O 6cda8a7d7a968bed747b3f196a09386c [0,1,0,0,0,1|2,0,0]=4 2680 B12R0.72 CCNC(=O)CNCCS(=O)(=O)O 2d9048a093c97c959a226c6603c2ebfa [0,1,0,0,0,1|2,0,0]=4 2681 B12R0.72 CCNC(=O)COCCS(=O)(=O)O 4e033adf2afd7628c3b0102744a0fb24 [0,1,0,0,0,1|2,0,0]=4 2682 B12R0.72 CCOC(=O)CCNCS(=O)(=O)O 564aae355cf00d474b6559d8e2ae7073 [0,1,0,0,0,1|2,0,0]=4 2683 B12R0.72 CCOC(=O)CNCCS(=O)(=O)O 8b3fca447b0c73871a53bab236afa332 [0,1,0,0,0,1|2,0,0]=4 2684 B12R0.72 CCOC(=O)COCCS(=O)(=O)O ff465dffdeaf5d697f0080bffe9d5262 [0,1,0,0,0,1|2,0,0]=4 2685 B12R0.72 COCC(=O)CNCCS(=O)(=O)O d603a3bc4314479d60aa03e018ec10c5 [0,1,0,0,0,1|2,0,0]=4 2686 B12R0.72 COCC(=O)COCCS(=O)(=O)O 65899f706f2d3b5c4d0507240106378d [0,1,0,0,0,1|2,0,0]=4 2687 B12R0.72 COCC(=O)NCCCS(=O)(=O)O d2760c1181bacbc5127eb7a6cf3f499d [0,1,0,0,0,1|2,0,0]=4 2688 B12R0.72 CSCC(=O)NCCCS(=O)(=O)O 8101e3ac3eb907003c7f78c02c5ef417 [0,1,0,0,0,1|2,0,0]=4 2689 B12R0.72 O=C(CCF)NCCCS(=O)(=O)O 99a404fe9274fb4a7a7ca89a716c0343 [0,1,0,0,0,1|2,0,0]=4 2690 B12R0.72 O=C(CCO)NCCCS(=O)(=O)O 37f73e5d2307def597ee97ca387cc0f9 [0,1,0,0,0,1|2,0,0]=4 2691 B12R0.72 O=C(CCS)NCCCS(=O)(=O)O 983c9124ea6da0980f124b0e12273985 [0,1,0,0,0,1|2,0,0]=4 2692 B12R0.86 C=C(Br)CCOCC(=O)C(C)CC 055c7ec0a1958b6c468687f0d4518997 [0,1,0,0,0,1|2,0,0]=4 2693 B12R0.86 C=C(C)CCNCC(=O)C(C)CC 70c5c607a1ce363122ff369b6c9662d3 [0,1,0,0,0,1|2,0,0]=4 2694 B12R0.86 C=C(C)CCOCC(=O)C(C)CC 2475e3e23ceb55b6ca17e6d4bcf035ee [0,1,0,0,0,1|2,0,0]=4 2695 B12R0.86 C=C(CC)C(=O)NCCCC(=O)N dd58fb7e72e6ab80cba58ebf23b26981 [0,1,0,0,0,1|1,0,1]=4 2696 B12R0.86 CCC(=O)C(=O)NCCCC(=O)N 14f47f18e1793c5aaa87269c0f3513f2 [0,1,0,0,0,1|1,0,1]=4 2697 B12R0.86 CCC(C)C(=O)CNCCC(=O)N a94f7d65776192fbe21c026d53a37d7f [0,1,0,0,0,1|1,0,0]=3 2698 B12R0.86 CCC(C)C(=O)CNCCC(=O)O 28ed3eaf0b477985a56508091d5529ca [0,1,0,0,0,1|0,0,0]=2 2699 B12R0.86 CCC(C)C(=O)CNCCC(=S)N 72283e92689f96c2a8803bc8bcf744c1 [0,1,0,0,0,1|1,1,0]=4 2700 B12R0.86 CCC(C)C(=O)CNCCC(C)O 3c9431fe5ace956d836b989a9d407a22 [0,1,0,0,0,1|1,0,1]=4 2701 B12R0.86 CCC(C)C(=O)CNCCS(=O)C b60f2b094206a06c87a2c81d909d5ea7 [0,1,0,0,0,1|2,0,0]=4 2702 B12R0.86 CCC(C)C(=O)CNCCS(=O)O 15556ed34a9cf4b598c4e83be88bfdbf [0,1,0,0,0,1|1,0,0]=3 2703 B12R0.86 CCC(C)C(=O)CNCC[C@@H](C)O faf454a3b4fdfa3e796c1825f75a429e [0,1,0,0,0,1|1,0,1]=4 2704 B12R0.86 CCC(C)C(=O)CNCC[C@H](C)O 284ca295c1c9b94df5bf28e725e55b79 [0,1,0,0,0,1|1,0,1]=4 2705 B12R0.86 CCC(C)C(=O)COCCC(=O)C ed8d8fe532292ccaacaeb7ce0b25fd8d [0,1,0,0,0,1|1,0,0]=3 2706 B12R0.86 CCC(C)C(=O)COCCC(=O)N c20ac6c7b699b6ac5affe27b9cf7a50c [0,1,0,0,0,1|1,0,0]=3 2707 B12R0.86 CCC(C)C(=O)COCCC(=O)O 61fd28630098d383c130090ede916182 [0,1,0,0,0,1|0,0,0]=2 2708 B12R0.86 CCC(C)C(=O)COCCS(=O)C 3198c734018083d794eb1a2571d4a8ec [0,1,0,0,0,1|2,0,0]=4 2709 B12R0.86 CCC(C)C(=O)COCC[N+](=O)[O-] fc501f285eed7d3746689d64664721df [0,1,0,0,0,1|1,0,1]=4 2710 B12R0.86 CCC(C)C(=O)COCNC(=O)C 3291e52115e54d1baca5ebced4cc9ade [0,1,0,0,0,1|2,0,0]=4 2711 B12R0.86 CCC(C)C(=O)COCNC(=O)N b55945a91ceae97c93cabce829da0128 [0,1,0,0,0,1|2,0,0]=4 2712 B12R0.86 CCC(C)C(C)NCCCC(=O)O bb69107ebf8b8e48a8c0c005ce1953f3 [0,1,0,0,0,1|1,0,1]=4 2713 B12R0.86 CCC(C)N(C)CCCCC(=O)O 9ff0138adae8bc9ec83c8d6cce7e50c4 [0,1,0,0,0,1|2,0,0]=4 2714 B12R0.86 CCC(C)N(C)CCNCC(=O)O d105f01394b7ea8aafb4347f2759d4e6 [0,1,0,0,0,1|2,0,0]=4 2715 B12R0.86 CCC(C)N(C)CCOCC(=O)O 787459c8f344016cb358a7dadbe0a5f9 [0,1,0,0,0,1|2,0,0]=4 2716 B12R0.86 CCC(O)C(=O)NCCCC(=O)N 852de158b42631d24d451fc9b084d503 [0,1,0,0,0,1|1,0,0]=3 2717 B12R0.86 CCC(O)C(=O)NCCCS(=O)C 5f0caa9624428f02b818670462a43de0 [0,1,0,0,0,1|2,0,0]=4 2718 B12R0.86 CCC(O)C(=O)NCCNC(=O)C e54ecbda434def8c5a1b42d699c2ee79 [0,1,0,0,0,1|2,0,0]=4 2719 B12R0.86 CCC(S)C(C)COCCC(=O)O 909f6ad846997460cd5086af16dc9908 [0,1,0,0,0,1|1,0,1]=4 2720 B12R0.86 CCN(C)C(=O)CCCCC(=O)C 3632026e500b3b8b1731a8c01a50f109 [0,1,0,0,0,1|2,0,0]=4 2721 B12R0.86 CCN(C)C(=O)CCCCC(=O)N 378948034fa580a0bf21bb85d6dc4740 [0,1,0,0,0,1|2,0,0]=4 2722 B12R0.86 CCN(C)C(=O)CCCNC(=O)C 6a3ac9eb80ceb7483dc3ebec6df8213c [0,1,0,0,0,1|2,0,0]=4 2723 B12R0.86 CCN(C)C(=O)CCCSC(=O)C 4a121fdb759079e150f66c7ec28b3d67 [0,1,0,0,0,1|2,0,0]=4 2724 B12R0.86 CCN(C)C(=O)CCSCC(=O)N 54b2d36dd9967584e3a44d9314bca210 [0,1,0,0,0,1|2,0,0]=4 2725 B12R0.86 CCN(C)C(=O)CNCCC(=O)C 252291d886373fd746765777f35d4f11 [0,1,0,0,0,1|2,0,0]=4 2726 B12R0.86 CCN(C)C(=O)CNCCC(=O)N 165f2d09ef6549d3b8f99fa3eeea44f7 [0,1,0,0,0,1|2,0,0]=4 2727 B12R0.86 CCN(C)C(=O)CNCCC(=O)O e9bf2339f83b4d757817873c1980b796 [0,1,0,0,0,1|1,0,0]=3 2728 B12R0.86 CCN(C)C(=O)CNCCS(=O)O 4bdea83e86f8a731babc85b0f8c16e32 [0,1,0,0,0,1|2,0,0]=4 2729 B12R0.86 CCN(C)C(=O)COCCC(=O)C 517eba05973f42d6f66a4653d10cd2a9 [0,1,0,0,0,1|2,0,0]=4 2730 B12R0.86 CCN(C)C(=O)COCCC(=O)N 35793476e0e533d53ea702471cd55916 [0,1,0,0,0,1|2,0,0]=4 2731 B12R0.86 CCN(C)C(=O)COCCC(=O)O 7e84b79f2dc27e95756b2a9fcb782855 [0,1,0,0,0,1|1,0,0]=3 2732 B12R0.86 CCN(C)C(=O)NCCCC(=O)N e472388f48c4812e997c69c96bb256f1 [0,1,0,0,0,1|2,0,0]=4 2733 B12R0.86 CCN(C)C(=O)NCCCC(=O)O 068f8ec97ec20f037e8406c219f3d294 [0,1,0,0,0,1|1,0,0]=3 2734 B12R0.86 CCN(C)C(=S)NCCCC(=O)O a9e264ba763af4c5d27d492f9a31f159 [0,1,0,0,0,1|1,1,0]=4 2735 B12R0.86 CC[C@@H](O)C(=O)NCCCC(=O)N 8e63d30d76581e634d45be795f1650b3 [0,1,0,0,0,1|1,0,0]=3 2736 B12R0.86 CC[C@@H](O)C(=O)NCCCS(=O)C 586c286d9a42d70e1338a835ae1327a5 [0,1,0,0,0,1|2,0,0]=4 2737 B12R0.86 CC[C@@H](O)C(=O)NCCNC(=O)C a725bb08e84c39d54db47be19b03480d [0,1,0,0,0,1|2,0,0]=4 2738 B12R0.86 CC[C@H](O)C(=O)NCCCC(=O)N c77cb527c5154ee2462c5bf98c9850e8 [0,1,0,0,0,1|1,0,0]=3 2739 B12R0.86 CC[C@H](O)C(=O)NCCCS(=O)C b9ad757439929f4f25e508db0f3df99f [0,1,0,0,0,1|2,0,0]=4 2740 B12R0.86 CC[C@H](O)C(=O)NCCNC(=O)C dfe174ae8a415aa0b78fad4e9083e344 [0,1,0,0,0,1|2,0,0]=4 2741 B12R0.86 CC[C@H](S)C(=O)NCCCC(=O)N 914c40a50c2cfd0f96282f0e459c3e5c [0,1,0,0,0,1|1,0,0]=3 2742 B12R0.86 CC[C@H](S)C(=O)NCCCS(=O)C 671633dd3acd14336c71757dcd600fd5 [0,1,0,0,0,1|2,0,0]=4 2743 B12R0.86 CC[C@H](S)C(=O)NCCNC(=O)C 40729aa269783b3e2bc02b09158258bc [0,1,0,0,0,1|2,0,0]=4 2744 B12R0.86 COC(=O)C(=O)CNCCC(=O)O 979aa75bf68ff95e709c6882fd1b8a1b [0,1,0,0,0,1|1,0,1]=4 2745 B12R0.86 COC(=O)C(=O)COCCC(=O)O 4241737e26b337c912d646d1964b8e7e [0,1,0,0,0,1|1,0,1]=4 2746 B12R0.86 COC(C)C(=O)NCCCC(=O)N c59aa6c3a12311ad04f7f2c6ae2675d0 [0,1,0,0,0,1|2,0,0]=4 2747 B12R0.86 CON(C)C(=O)CNCCC(=O)O cf27b81874856418a35ef79bed9cedbb [0,1,0,0,0,1|2,0,0]=4 2748 B12R0.86 CO[C@@H](C)C(=O)NCCCC(=O)N b2f7c5e00a84a4bb6c986c16cb83a45a [0,1,0,0,0,1|2,0,0]=4 2749 B12R0.86 CO[C@H](C)C(=O)NCCCC(=O)N d78469c77d2c63b28b6cef99e5378cc9 [0,1,0,0,0,1|2,0,0]=4 2750 B12R0.86 CSC(C)C(=O)NCCCC(=O)N 8e78679e75981c9a75ceb2be13724ee8 [0,1,0,0,0,1|2,0,0]=4 2751 B12R0.86 NC(=O)CCCNC(=O)C(O)CO fcd0d89516785c2670560585157691b1 [0,1,0,0,0,1|2,0,0]=4 2752 B12R0.86 NC(=O)CCCNC(=O)[C@@H](O)CO d0cdf0516ead480c8d13bb302e44ac6f [0,1,0,0,0,1|2,0,0]=4 2753 B12R0.86 NC(=O)CCCNC(=O)[C@H](O)CF 9b02f90189f1d53eb69840aacfa79031 [0,1,0,0,0,1|2,0,0]=4 2754 B12R0.95 C#CCCC(=O)CCOCC(=O)N 452e656118345fb904ffaabe11e015b6 [0,1,0,0,0,1|1,0,1]=4 2755 B12R0.95 C#CCCC(=O)CCOCC(=O)O e95b059245045d37d0bf8672d4aece5e [0,1,0,0,0,1|0,0,1]=3 2756 B12R0.95 C#CCCC(=O)NCCCC(=O)N 23a43a5c74c91c17aa13dc5c63dcb114 [0,1,0,0,0,1|1,0,1]=4 2757 B12R0.95 C#CCNC(=O)CNCCC(=O)O 81dc9258ff3643d408b8e8df8e7e5c52 [0,1,0,0,0,1|0,0,2]=4 2758 B12R0.95 C#CCNC(=O)COCCC(=O)O e9ee674b7fca29a38640494151e9825a [0,1,0,0,0,1|0,0,2]=4 2759 B12R0.95 C#CCNC(=O)NCCCC(=O)O 1311b0740ffdf31808638ec1397c589c [0,1,0,0,0,1|0,0,2]=4 2760 B12R0.95 C/C=C/CC(=O)NCCCC(=O)N 3f7be558295de09a2773f2481f3299d1 [0,1,0,0,0,1|1,0,1]=4 2761 B12R0.95 C=C(Br)CCOCC(=O)CCSC c61141f8860c901791dbb13df6af744c [0,1,0,0,0,1|2,0,0]=4 2762 B12R0.95 C=C(Br)CCOCC(=O)NCCC e310db415c24f5b69e3c449e5244f558 [0,1,0,0,0,1|2,0,0]=4 2763 B12R0.95 C=C(Br)CCOCC(=O)OCCC 279058e752cbcb6115a9fe86cd7302ef [0,1,0,0,0,1|2,0,0]=4 2764 B12R0.95 C=C(Br)COCCC(=O)OCCC 3df9d77b025e047fc07735d32f271f4b [0,1,0,0,0,1|2,0,0]=4 2765 B12R0.95 C=C(C)CCNCC(=O)CCSC 56bfa9334b7be53845d169c96d2f3896 [0,1,0,0,0,1|2,0,0]=4 2766 B12R0.95 C=C(C)CCNCC(=O)NCCC b800750029730fa12bbe90333545c739 [0,1,0,0,0,1|2,0,0]=4 2767 B12R0.95 C=C(C)CCNCC(=O)OCCC 42dd603f820fbb1bbdb5187639da3c4b [0,1,0,0,0,1|2,0,0]=4 2768 B12R0.95 C=C(C)CCOCC(=O)CCSC 6ef8bb17ed5590da5dfac575229930b3 [0,1,0,0,0,1|2,0,0]=4 2769 B12R0.95 C=C(C)CCOCC(=O)NCCC 2f09c7e6523a3a7b27cb4f03f17376b3 [0,1,0,0,0,1|2,0,0]=4 2770 B12R0.95 C=C(C)CCOCC(=O)OCCC 59c343094d45b09ebb54d18a52d6660c [0,1,0,0,0,1|2,0,0]=4 2771 B12R0.95 C=C(C)COCCC(=O)OCCC ac5799374f2ecb930f4b7160739187a2 [0,1,0,0,0,1|2,0,0]=4 2772 B12R0.95 C=C(CNCCC(=O)O)OCOC 69ac09bd26d9642e0cdc75733cad80ea [0,1,0,0,0,1|2,0,0]=4 2773 B12R0.95 C=C(Cl)COCCC(=O)OCCC a10e6b7e70bd3396aaef8a34639f82ba [0,1,0,0,0,1|2,0,0]=4 2774 B12R0.95 C=C(F)COCCC(=O)OCCC 1e51e36ef55b0b853e947c865d7e57f6 [0,1,0,0,0,1|2,0,0]=4 2775 B12R0.95 C=CCCC(=O)NCCCC(=O)N 2f76c506576905a9eac6af425516b4b5 [0,1,0,0,0,1|1,0,1]=4 2776 B12R0.95 C=CCNC(=O)CCNCC(=O)O aac2f46c5fcffdd71eb9699c58e70751 [0,1,0,0,0,1|0,0,2]=4 2777 B12R0.95 C=CCNC(=O)CCOCC(=O)O 918cf3f72dc634d228745607395b2106 [0,1,0,0,0,1|0,0,2]=4 2778 B12R0.95 C=CCNC(=O)CNCCC(=O)O f13e1d25e5b8203a5c31a73543a841e1 [0,1,0,0,0,1|0,0,2]=4 2779 B12R0.95 C=CCNC(=O)COCCC(=O)O bacc4ddda559f9bc2c73e6587cb3cc49 [0,1,0,0,0,1|0,0,2]=4 2780 B12R0.95 C=CCOC(=O)CNCCC(=O)O 2a7a1596a8ae0468cb056d72237c8f8a [0,1,0,0,0,1|0,0,2]=4 2781 B12R0.95 C=CCOC(=O)COCCC(=O)O 952181a51ada328dd63d285fd48ef9c9 [0,1,0,0,0,1|0,0,2]=4 2782 B12R0.95 CC#CCC(=O)NCCCC(=O)N 90c912e59447c8ee164c80585c68dbf6 [0,1,0,0,0,1|1,0,1]=4 2783 B12R0.95 CC(=O)CCCCC(=O)NCCBr 7ace5a16ebd61b5e70cfd53ef61f1682 [0,1,0,0,0,1|2,0,0]=4 2784 B12R0.95 CC(=O)CCCCC(=O)NCCF 8ad666240d6c544d72adf22cd21b39b9 [0,1,0,0,0,1|2,0,0]=4 2785 B12R0.95 CC(=O)CCCCC(=O)NCCI 316073701aa763b4706d15a2ca054167 [0,1,0,0,0,1|2,0,0]=4 2786 B12R0.95 CC(=O)CCCCC(=O)NCCO 05f7aee80343ed18025602e40df7664c [0,1,0,0,0,1|2,0,0]=4 2787 B12R0.95 CC(=O)CCCCC(=O)NCCS e2e2cb1d90593e5e0dd852a26847519a [0,1,0,0,0,1|2,0,0]=4 2788 B12R0.95 CC(=O)CCNCC(=O)NCCO 5365f5875fcf69ae02919418ce811e70 [0,1,0,0,0,1|2,0,0]=4 2789 B12R0.95 CC(=O)NCCCC(=O)NCCBr 13a49d170e61984f5e7344d533e18b76 [0,1,0,0,0,1|2,0,0]=4 2790 B12R0.95 CC(=O)NCCCC(=O)NCCF c4e6cfb6b822ce129cfb9fde65e713f8 [0,1,0,0,0,1|2,0,0]=4 2791 B12R0.95 CC(=O)NCCCC(=O)NCCI 9cd5d916cf7cacb05fc780a027737cad [0,1,0,0,0,1|2,0,0]=4 2792 B12R0.95 CC(=O)NCCCC(=O)NCCO f7dea11f2c36ad1f023a4802807d56b1 [0,1,0,0,0,1|2,0,0]=4 2793 B12R0.95 CC(=O)NCCCC(=O)NCCS abd3e4d8c28e5c7bba4f26d7f67c6eab [0,1,0,0,0,1|2,0,0]=4 2794 B12R0.95 CC(=O)NCCNC(=O)CCCF 44138bcff7e6dc7097d2b15d7e54f651 [0,1,0,0,0,1|2,0,0]=4 2795 B12R0.95 CC(=O)NCCNC(=O)CCCS 29c4925a97b1a8a2d794d635149f1be1 [0,1,0,0,0,1|2,0,0]=4 2796 B12R0.95 CC(=O)SCCCC(=O)NCCBr 9ed0f4fe06277629f9546777273e4de4 [0,1,0,0,0,1|2,0,0]=4 2797 B12R0.95 CC(=O)SCCCC(=O)NCCF c87b23b775d7ff134b7d317ba5423214 [0,1,0,0,0,1|2,0,0]=4 2798 B12R0.95 CC(=O)SCCCC(=O)NCCI 11e69b38136a2d339eca084df2f5e53d [0,1,0,0,0,1|2,0,0]=4 2799 B12R0.95 CC(=O)SCCCC(=O)NCCO d5097ac360158d0f8be08d59ab7fa986 [0,1,0,0,0,1|2,0,0]=4 2800 B12R0.95 CC(=O)SCCCC(=O)NCCS e7759d55c6f09da19df4fd719a39dc2e [0,1,0,0,0,1|2,0,0]=4 2801 B12R0.95 CC(CCCO)NCCCC(=O)O 01587ade6b270351301c083f7f6dc396 [0,1,0,0,0,1|1,0,1]=4 2802 B12R0.95 CC/C=C/C(=O)NCCCC(=O)N f311fe7b9a6230db93b481be16a30d7c [0,1,0,0,0,1|1,0,1]=4 2803 B12R0.95 CC/C=C\C(=O)NCCCC(=O)N 2bcfb75025eeca7ad9c0e34cd56f867d [0,1,0,0,0,1|1,0,1]=4 2804 B12R0.95 CCC#CC(=O)NCCCC(=O)N eba5e940310e6df8155ad9aae6d15e3f [0,1,0,0,0,1|1,0,1]=4 2805 B12R0.95 CCC=CC(=O)NCCCC(=O)N f6a9085ebb8737507b9b8c1d83d36b81 [0,1,0,0,0,1|1,0,1]=4 2806 B12R0.95 CCCCC(=O)NCCCC(=O)N bc71b8f2b997779d0eaad4d7c25b1dc5 [0,1,0,0,0,1|1,0,0]=3 2807 B12R0.95 CCCCC(=O)NCCCS(=O)C f634605a58baa86b20003ff0071b7212 [0,1,0,0,0,1|2,0,0]=4 2808 B12R0.95 CCCCC(=O)NCCNC(=O)C e8a38432063a6de73e4845c5ae983766 [0,1,0,0,0,1|2,0,0]=4 2809 B12R0.95 CCCCC(=O)OCNCC(=O)C cac5cc43bee8bcbb528738f26d00aba6 [0,1,0,0,0,1|2,0,0]=4 2810 B12R0.95 CCCCC(=O)OCNCC(=O)N 54e35fbcb29fc1b9ee2ae0dbe8da17d9 [0,1,0,0,0,1|2,0,0]=4 2811 B12R0.95 CCCCC(=O)OCNCC(=O)O a8e0e31224a55eee5bc395724225dba1 [0,1,0,0,0,1|1,0,0]=3 2812 B12R0.95 CCCCC(=O)OCOCC(=O)C b946cb4e564cb1d85364c86401444267 [0,1,0,0,0,1|2,0,0]=4 2813 B12R0.95 CCCCC(=O)OCOCC(=O)N d53cbaf2d7d005f90f921671537e9142 [0,1,0,0,0,1|2,0,0]=4 2814 B12R0.95 CCCCC(=O)OCOCC(=O)O fccfef168a320763bdc836cca3e7f3bf [0,1,0,0,0,1|1,0,0]=3 2815 B12R0.95 CCCCC(=O)OCOCS(=O)O 4265f152ce2c980cf71015f064a9351a [0,1,0,0,0,1|2,0,0]=4 2816 B12R0.95 CCCCC(C)CCOCC(=O)O 9ccda33f86cf11ccf4af02c94bbe2cf3 [0,1,0,0,0,1|1,0,1]=4 2817 B12R0.95 CCCCC(C)COCCC(=O)O fca2c5198f248b4dcaf925188fefa01b [0,1,0,0,0,1|1,0,1]=4 2818 B12R0.95 CCCCC(C)NCCCC(=O)O ada8796f86ae13890572646b7e33d2f1 [0,1,0,0,0,1|1,0,1]=4 2819 B12R0.95 CCCCC(O)CNCCC(=O)O edaa209c6cdfffef2f4ab0bacfadf900 [0,1,0,0,0,1|0,0,2]=4 2820 B12R0.95 CCCCN(C)CCCCC(=O)O ae50391429c6ceafa5a2df2c6d29aea7 [0,1,0,0,0,1|2,0,0]=4 2821 B12R0.95 CCCCN(C)CCNCC(=O)O 5fd85ac3f8b949e3f786e01025e43840 [0,1,0,0,0,1|2,0,0]=4 2822 B12R0.95 CCCNC(=O)CCCCC(=O)C 63bbf587efef0fe76ac27cee2a045295 [0,1,0,0,0,1|1,0,0]=3 2823 B12R0.95 CCCNC(=O)CCCCC(=O)N bf0c0390ec669fb4b396882fff685d91 [0,1,0,0,0,1|1,0,0]=3 2824 B12R0.95 CCCNC(=O)CCCNC(=O)C 72aad05ba5ee610cd122fb08a752910a [0,1,0,0,0,1|1,0,0]=3 2825 B12R0.95 CCCNC(=O)CCCSC(=O)C fd05be196ccbac2378751cbf252275a1 [0,1,0,0,0,1|1,0,0]=3 2826 B12R0.95 CCCNC(=O)CCSCC(=O)N 10951b7e0c9e1feb031985f8ffd685af [0,1,0,0,0,1|1,0,0]=3 2827 B12R0.95 CCCNC(=O)CNCCC(=O)C dd787198cd1d60c1bf34b285a7dafe8f [0,1,0,0,0,1|1,0,0]=3 2828 B12R0.95 CCCNC(=O)CNCCC(=O)N 69dce1f077028db94cc1cd7b600b7179 [0,1,0,0,0,1|1,0,0]=3 2829 B12R0.95 CCCNC(=O)CNCCC(=O)O 7954cd92cdb88e64694fe81a319370d8 [0,1,0,0,0,1|0,0,0]=2 2830 B12R0.95 CCCNC(=O)CNCCC(=S)N 0491b0984bbe94f900d194ca42c67bf6 [0,1,0,0,0,1|1,1,0]=4 2831 B12R0.95 CCCNC(=O)CNCCC(C)O 7b52e17ee86d5a2c7b090ba4c1b70491 [0,1,0,0,0,1|1,0,1]=4 2832 B12R0.95 CCCNC(=O)CNCCS(=O)C 3d68a672429c93a51b915ed97aacf3f9 [0,1,0,0,0,1|2,0,0]=4 2833 B12R0.95 CCCNC(=O)CNCCS(=O)O a5ec6db9e27b5400ef17ea68f4684e43 [0,1,0,0,0,1|1,0,0]=3 2834 B12R0.95 CCCNC(=O)CNCC[C@@H](C)O 6b1c7f1e8c60a4e619e4fea5e48331ae [0,1,0,0,0,1|1,0,1]=4 2835 B12R0.95 CCCNC(=O)CNCC[C@H](C)O 3f22f1a13aa7a440aef7f4569b2e26c0 [0,1,0,0,0,1|1,0,1]=4 2836 B12R0.95 CCCNC(=O)CNCOC(=O)C ca8c3866b2b9ab1e8e86b244ada1fff7 [0,1,0,0,0,1|2,0,0]=4 2837 B12R0.95 CCCNC(=O)CNCSC(=O)N 8a50a68ca2e61b10f4afa5f1e9329666 [0,1,0,0,0,1|2,0,0]=4 2838 B12R0.95 CCCNC(=O)COCCC(=O)C 8538033b52b5093377175cea82bdc107 [0,1,0,0,0,1|1,0,0]=3 2839 B12R0.95 CCCNC(=O)COCCC(=O)N e0a731d660e82b46a4b6068d08563fc1 [0,1,0,0,0,1|1,0,0]=3 2840 B12R0.95 CCCNC(=O)COCCC(=O)O 0d9232f12b3b45f3f03fd0e9a391df9e [0,1,0,0,0,1|0,0,0]=2 2841 B12R0.95 CCCNC(=O)COCCS(=O)C 49483ba41d1153b37ee9512d4697380d [0,1,0,0,0,1|2,0,0]=4 2842 B12R0.95 CCCNC(=O)COCC[N+](=O)[O-] b833819a81ef9c27086fec4210a11d73 [0,1,0,0,0,1|1,0,1]=4 2843 B12R0.95 CCCNC(=O)COCNC(=O)C d381297fccce032d0ba0dbb37e8c5d26 [0,1,0,0,0,1|2,0,0]=4 2844 B12R0.95 CCCNC(=O)COCNC(=O)N 13f49882f1aa528c4072c0a6a5b9674a [0,1,0,0,0,1|2,0,0]=4 2845 B12R0.95 CCCNC(=O)NC/C=C/C(=O)O 91aac0fc7e38d39bc7df0c602368c7c0 [0,1,0,0,0,1|0,0,2]=4 2846 B12R0.95 CCCNC(=O)NCC#CC(=O)O ae98c765701cb5700eb1ca27e0895f4c [0,1,0,0,0,1|0,0,2]=4 2847 B12R0.95 CCCNC(=O)NCC=CC(=O)O b2305a999c9793c5598dcfef81b98a34 [0,1,0,0,0,1|0,0,2]=4 2848 B12R0.95 CCCNC(=O)NCCCC(=O)N 7f639d0eba48d7515f25bd3f4c625048 [0,1,0,0,0,1|1,0,0]=3 2849 B12R0.95 CCCNC(=O)NCCCC(=O)O 4644dea8533b299ae6be975c8bc5927c [0,1,0,0,0,1|0,0,0]=2 2850 B12R0.95 CCCNC(=O)NCCCS(=O)C 5a28dcaacd87e036a386131fc03c26a1 [0,1,0,0,0,1|2,0,0]=4 2851 B12R0.95 CCCNC(=O)NCCNC(=O)C c6043070665c936731b919faa9672784 [0,1,0,0,0,1|2,0,0]=4 2852 B12R0.95 CCCNC(=S)NCCCC(=O)N be15910a18cd81d29a624abe8e9ce7b2 [0,1,0,0,0,1|1,1,0]=4 2853 B12R0.95 CCCNC(=S)NCCCC(=O)O eee5e50e6372d9bd4f2d8f64545a3278 [0,1,0,0,0,1|0,1,0]=3 2854 B12R0.95 CCCOC(=O)CCOCC(=O)N 69ab882e20299779eca7b9171e1f952e [0,1,0,0,0,1|1,0,0]=3 2855 B12R0.95 CCCOC(=O)CCOCC(=O)O f42f3c48d0a645369f2ef2c33a7290b7 [0,1,0,0,0,1|0,0,0]=2 2856 B12R0.95 CCCOC(=O)CCOC[N+](=O)[O-] cec91720935ebc8a25cea018730280f0 [0,1,0,0,0,1|1,0,1]=4 2857 B12R0.95 CCCOC(=O)CNCCC(=O)N 8121910903a3da8f950740ed6e0aca28 [0,1,0,0,0,1|1,0,0]=3 2858 B12R0.95 CCCOC(=O)CNCCC(=O)O 7cf0c4f8fc497705e7d820739185d7a0 [0,1,0,0,0,1|0,0,0]=2 2859 B12R0.95 CCCOC(=O)CNCCC(=S)N 2a1106f800e4c1c6874701f88598ed28 [0,1,0,0,0,1|1,1,0]=4 2860 B12R0.95 CCCOC(=O)CNCCC(C)O c366f7c3e376a8b7e4758f4cbb892ff7 [0,1,0,0,0,1|1,0,1]=4 2861 B12R0.95 CCCOC(=O)CNCCS(=O)C cc1bfb32a48f46afc60ee15d62a61c1d [0,1,0,0,0,1|2,0,0]=4 2862 B12R0.95 CCCOC(=O)CNCCS(=O)O 6fa5912321b0a60adad26e19085b27cd [0,1,0,0,0,1|1,0,0]=3 2863 B12R0.95 CCCOC(=O)CNCC[C@@H](C)O a9bcf3a7044bef31157516e087e5742d [0,1,0,0,0,1|1,0,1]=4 2864 B12R0.95 CCCOC(=O)CNCC[C@H](C)O 720e7d2cac2a4b47d1e391b4ee911556 [0,1,0,0,0,1|1,0,1]=4 2865 B12R0.95 CCCOC(=O)COCCC(=O)C 3ca13b555a6844ed813e1ef5a70d276b [0,1,0,0,0,1|1,0,0]=3 2866 B12R0.95 CCCOC(=O)COCCC(=O)N df936d98f535c3fe2e0b107a2229386b [0,1,0,0,0,1|1,0,0]=3 2867 B12R0.95 CCCOC(=O)COCCC(=O)O 165198d296352edfd4fe04737c3e8a2c [0,1,0,0,0,1|0,0,0]=2 2868 B12R0.95 CCCOC(=O)COCCS(=O)C 7e7270fd6ba33e668f65cfb68aa3ab89 [0,1,0,0,0,1|2,0,0]=4 2869 B12R0.95 CCCOC(=O)COCC[N+](=O)[O-] 97d3bb32eeb6cb39357f10c2a1dada71 [0,1,0,0,0,1|1,0,1]=4 2870 B12R0.95 CCCOC(=O)COCNC(=O)C e4d018319013f9f250cbe3ba3c76c9ec [0,1,0,0,0,1|2,0,0]=4 2871 B12R0.95 CCCOC(=O)COCNC(=O)N a61f373099301566004aa218c92e2222 [0,1,0,0,0,1|2,0,0]=4 2872 B12R0.95 CCCOC(=O)OCNCC(=O)C 5f7f5e4112b9ec96621d303097daf913 [0,1,0,0,0,1|2,0,0]=4 2873 B12R0.95 CCCOC(=O)OCNCC(=O)N 0d4991cbbca9f7c97c2ad0d06ee38034 [0,1,0,0,0,1|2,0,0]=4 2874 B12R0.95 CCCOC(=O)OCNCC(=O)O 81f93fce71f3f9fd668f448f473936e3 [0,1,0,0,0,1|1,0,0]=3 2875 B12R0.95 CCCOC(=O)OCOCC(=O)C 870b62ee833da611d1cf12ab4d6112a9 [0,1,0,0,0,1|2,0,0]=4 2876 B12R0.95 CCCOC(=O)OCOCC(=O)N 683b5c677f391887cebf8dfa9b9b4b73 [0,1,0,0,0,1|2,0,0]=4 2877 B12R0.95 CCCOC(=O)OCOCC(=O)O 01e81c00ca62b08727cc7b0abfb9475c [0,1,0,0,0,1|1,0,0]=3 2878 B12R0.95 CCCOC(=O)OCOCS(=O)O 0e8e1e23a65eb600c3697fb9a2ceafce [0,1,0,0,0,1|2,0,0]=4 2879 B12R0.95 CCNCC(=O)NCCCC(=O)O 6f45207f0def865a608cf18595b4f593 [0,1,0,0,0,1|0,0,0]=2 2880 B12R0.95 CCOCC(=O)NCCCC(=O)N 18f44fe517e3593e85712aaf69f832c1 [0,1,0,0,0,1|1,0,0]=3 2881 B12R0.95 CCOCC(=O)NCCCS(=O)C 411adbaaf955b0bcd97f2085983ae77e [0,1,0,0,0,1|2,0,0]=4 2882 B12R0.95 CCOCC(=O)NCCNC(=O)C ca8b2b91eca0e6a603192c4436617879 [0,1,0,0,0,1|2,0,0]=4 2883 B12R0.95 CCOCC(O)CNCCC(=O)O f7e1ba01f03b9232c8c9088255cdb0e5 [0,1,0,0,0,1|0,0,2]=4 2884 B12R0.95 CCOCN(C)CCCCC(=O)O d61b08c1a172b3abea2adcbf4e00ba2f [0,1,0,0,0,1|2,0,0]=4 2885 B12R0.95 CCSCC(=O)NCCCC(=O)N 0a02ec10b25c14f26fca05af719c7f85 [0,1,0,0,0,1|1,0,0]=3 2886 B12R0.95 CCSCC(=O)NCCCS(=O)C 090395d826474b7240b38890288f0958 [0,1,0,0,0,1|2,0,0]=4 2887 B12R0.95 CCSCC(=O)NCCNC(=O)C d66b25d1265f06d98fe04872b0a88fbd [0,1,0,0,0,1|2,0,0]=4 2888 B12R0.95 CN(CCCF)CCCCC(=O)O fe1a8c6db09f88b1c201715eb1b9f851 [0,1,0,0,0,1|2,0,0]=4 2889 B12R0.95 CN(CCCO)CCCCC(=O)O 2f4d4710daaecb2a90f38acacbe90b69 [0,1,0,0,0,1|2,0,0]=4 2890 B12R0.95 CN(CCCS)CCCCC(=O)O a978a8c7c68f369b1c2ed3b72cba2ec3 [0,1,0,0,0,1|2,0,0]=4 2891 B12R0.95 COCCC(=O)NCCCC(=O)N eb0940cd1102bc642b22ac613fee71b8 [0,1,0,0,0,1|1,0,0]=3 2892 B12R0.95 COCCC(=O)NCCCS(=O)C a721eacc0a9b35c238a2a7d924c72cb5 [0,1,0,0,0,1|2,0,0]=4 2893 B12R0.95 COCCC(=O)NCCNC(=O)C 18ff7fb3ad558eda9d6160b69eb3a0e4 [0,1,0,0,0,1|2,0,0]=4 2894 B12R0.95 COCCN(C)CCCCC(=O)O a8dd521579d4abef98f738db7029c6fa [0,1,0,0,0,1|2,0,0]=4 2895 B12R0.95 COCCN(C)CCOCC(=O)O a7eb090fd6c58eb514bdb82fe352b05d [0,1,0,0,0,1|2,0,0]=4 2896 B12R0.95 CS(=O)CCCNC(=O)CCCF 91b07f1d50b0cf693ce33cc58e78ff79 [0,1,0,0,0,1|2,0,0]=4 2897 B12R0.95 CS(=O)CCCNC(=O)CCCS 4130790be48c345ae3d714230d30e19b [0,1,0,0,0,1|2,0,0]=4 2898 B12R0.95 CSCCC(=O)CNCCC(=O)N b265832f91491972b85dd55da73b9905 [0,1,0,0,0,1|1,0,0]=3 2899 B12R0.95 CSCCC(=O)CNCCC(=O)O e1ca6f55b3e818d1e0a71962614c86bf [0,1,0,0,0,1|0,0,0]=2 2900 B12R0.95 CSCCC(=O)CNCCC(=S)N 9ecb59591e4e54625b4472f30d3573a6 [0,1,0,0,0,1|1,1,0]=4 2901 B12R0.95 CSCCC(=O)CNCCC(C)O d724ab708646770f61c82f1808fff2c7 [0,1,0,0,0,1|1,0,1]=4 2902 B12R0.95 CSCCC(=O)CNCCS(=O)C 560964d740325a7bb8fba44df2ac6ea7 [0,1,0,0,0,1|2,0,0]=4 2903 B12R0.95 CSCCC(=O)CNCCS(=O)O 9b02d74dfcac0c0e94f5a9dcb02bdcb8 [0,1,0,0,0,1|1,0,0]=3 2904 B12R0.95 CSCCC(=O)CNCC[C@@H](C)O 534ba15a1ac9507ae5c81ac270c767ca [0,1,0,0,0,1|1,0,1]=4 2905 B12R0.95 CSCCC(=O)CNCC[C@H](C)O 92750f6f24508a0b910919aa15228561 [0,1,0,0,0,1|1,0,1]=4 2906 B12R0.95 CSCCC(=O)COCCC(=O)C 84bc33191267529c3c7a852e4782ada2 [0,1,0,0,0,1|1,0,0]=3 2907 B12R0.95 CSCCC(=O)COCCC(=O)N 223bb25121f1fdc3994615eeadd99eaa [0,1,0,0,0,1|1,0,0]=3 2908 B12R0.95 CSCCC(=O)COCCC(=O)O 226ab6c429e42bc6e5f0cfb79c52060c [0,1,0,0,0,1|0,0,0]=2 2909 B12R0.95 CSCCC(=O)COCCS(=O)C f4a52fac7b831544ca992e722d863635 [0,1,0,0,0,1|2,0,0]=4 2910 B12R0.95 CSCCC(=O)COCC[N+](=O)[O-] 22bba819803e8ac8632a6d8a7ecdcf9b [0,1,0,0,0,1|1,0,1]=4 2911 B12R0.95 CSCCC(=O)COCNC(=O)C 0ee8bcc52dd344fc9a1b994a3204eaae [0,1,0,0,0,1|2,0,0]=4 2912 B12R0.95 CSCCC(=O)COCNC(=O)N f1e043305e825034ba3b68953598b97e [0,1,0,0,0,1|2,0,0]=4 2913 B12R0.95 CSCCC(=O)NCCCC(=O)N 0b68486a35687b33e76314b355ab7fd9 [0,1,0,0,0,1|1,0,0]=3 2914 B12R0.95 CSCCC(=O)NCCCS(=O)C 1be31caa8918832c6f8035ffb85cd3c1 [0,1,0,0,0,1|2,0,0]=4 2915 B12R0.95 CSCCC(=O)NCCNC(=O)C 26525a80a80c79e3f9b562b5335f75a6 [0,1,0,0,0,1|2,0,0]=4 2916 B12R0.95 CSCCN(C)CCCCC(=O)O 0ca556dfe6667db594a051c3a874d684 [0,1,0,0,0,1|2,0,0]=4 2917 B12R0.95 CSSCC(=O)NCCCC(=O)N 848768b8aaa0134ac15d6c40f467df19 [0,1,0,0,0,1|2,0,0]=4 2918 B12R0.95 C[C@H](CCCO)CNCCC(=O)O 6f065f22221bf27c4626f0da7829cee4 [0,1,0,0,0,1|1,0,1]=4 2919 B12R0.95 C[C@H](CCCO)NCCCC(=O)O 1e33641395cb8612759c5579e8e670bb [0,1,0,0,0,1|1,0,1]=4 2920 B12R0.95 N#CCCC(=O)NCCCC(=O)N 1a9ca83bd64d7c10e37e46a423ff917b [0,1,0,0,0,1|1,0,1]=4 2921 B12R0.95 N#CCNC(=O)CNCCC(=O)O 4d4498215a545ef0b5e4c8b3bf91cecd [0,1,0,0,0,1|1,0,1]=4 2922 B12R0.95 N#CCNC(=O)NCCCC(=O)O ffc95beefa21559cd3455b98c354dbdd [0,1,0,0,0,1|1,0,1]=4 2923 B12R0.95 NC(=O)CCCCC(=O)NCCBr 017734664687f7c9cb914df265242574 [0,1,0,0,0,1|2,0,0]=4 2924 B12R0.95 NC(=O)CCCCC(=O)NCCF fa24c6887480967c70c539e91b5a900b [0,1,0,0,0,1|2,0,0]=4 2925 B12R0.95 NC(=O)CCCCC(=O)NCCI 5eb6a191262abbbba5f816152f493afb [0,1,0,0,0,1|2,0,0]=4 2926 B12R0.95 NC(=O)CCCCC(=O)NCCO b7475a84bbbc622e877026661ebb1b2b [0,1,0,0,0,1|2,0,0]=4 2927 B12R0.95 NC(=O)CCCCC(=O)NCCS 3667129568406e1d6dba82a2d0e23d92 [0,1,0,0,0,1|2,0,0]=4 2928 B12R0.95 NC(=O)CCCNC(=O)CCC=O 9ebbdf55628caf013eed1d928f4c8d22 [0,1,0,0,0,1|1,0,1]=4 2929 B12R0.95 NC(=O)CCCNC(=O)CCCF 5c6fc339a8288bf9092a80219f63b0fe [0,1,0,0,0,1|1,0,0]=3 2930 B12R0.95 NC(=O)CCCNC(=O)CCCS 908485392d5175e354b74787e5b04629 [0,1,0,0,0,1|1,0,0]=3 2931 B12R0.95 NC(=O)CCCNC(=O)NCCF 1516c119b4fd5b987cd3771a77524d46 [0,1,0,0,0,1|2,0,0]=4 2932 B12R0.95 NC(=O)CCCNC(=O)NCCO eadf54c4e4b3ff51e75c67ce9fa54782 [0,1,0,0,0,1|2,0,0]=4 2933 B12R0.95 NC(=O)CCCNC(=O)NCCS c3f6ddac87c2dafa7d147449a67bc8b9 [0,1,0,0,0,1|2,0,0]=4 2934 B12R0.95 NC(=O)CCNCC(=O)NCCO f22719a7b57da58afa67bf1364c051a8 [0,1,0,0,0,1|2,0,0]=4 2935 B12R0.95 NC(=O)CSCCC(=O)NCCBr 6c40a5471712be04d43a6b0b4b42591a [0,1,0,0,0,1|2,0,0]=4 2936 B12R0.95 NC(=O)CSCCC(=O)NCCF 5ca842dd4f9c4adae1ab970fc34cfbdc [0,1,0,0,0,1|2,0,0]=4 2937 B12R0.95 NC(=O)CSCCC(=O)NCCI a99c8587952c2ec0cb3cebacf39641a8 [0,1,0,0,0,1|2,0,0]=4 2938 B12R0.95 NC(=O)CSCCC(=O)NCCO 61e77d2e3f4367b9542af053fc176e35 [0,1,0,0,0,1|2,0,0]=4 2939 B12R0.95 NC(=O)CSCCC(=O)NCCS 4fcd64f50375468d7f34ae9ebd449bad [0,1,0,0,0,1|2,0,0]=4 2940 B12R0.95 NCCNC(=O)NCCCC(=O)N c6a52cb98fd7d5e39da001b1510e7d6f [0,1,0,0,0,1|2,0,0]=4 2941 B12R0.95 NCCNC(=O)NCCCC(=O)O c1a39646aba01c737bd47090d41da9da [0,1,0,0,0,1|1,0,0]=3 2942 B12R0.95 NCCNC(=S)NCCCC(=O)O 3173da594b1534499c31fb0f3818ba81 [0,1,0,0,0,1|1,1,0]=4 2943 B12R0.95 O=C(O)CCCNC(=O)CNCF 2571cbdc5961a2213a96828f4f49bd26 [0,1,0,0,0,1|1,0,0]=3 2944 B12R0.95 O=C(O)CCCNC(=O)CNCO eac990bd203cb0b517db2d33bfde2e71 [0,1,0,0,0,1|1,0,0]=3 2945 B12R0.95 O=C(O)CCCNC(=O)NCCF efc72d0a2612cd6d5c8dc6ba32b78822 [0,1,0,0,0,1|1,0,0]=3 2946 B12R0.95 O=C(O)CCCNC(=O)NCCO 1431bc024c117ce67a414ddafbfa13b7 [0,1,0,0,0,1|1,0,0]=3 2947 B12R0.95 O=C(O)CCCNC(=O)NCCS eeb39f1fa74142322887b2de5207ec7e [0,1,0,0,0,1|1,0,0]=3 2948 B12R0.95 O=C(O)CCCNC(=S)NCCF a2e1f6b1509e5379d5969b0ca6301109 [0,1,0,0,0,1|1,1,0]=4 2949 B12R0.95 O=C(O)CCCNC(=S)NCCO 4bcea1034e5cafbc736141f9f6dd0cde [0,1,0,0,0,1|1,1,0]=4 2950 B12R0.95 O=C(O)CCCNC(=S)NCCS 0e8f11c5372ff183bfe0f5e38b87b18e [0,1,0,0,0,1|1,1,0]=4 2951 B12R0.95 O=C(O)CCNCC(=O)NCCO 84dd8c720b104a86cdac5ce5d6811751 [0,1,0,0,0,1|1,0,0]=3 2952 B12R0.172 CCCC(C)(O)CNCCC(=O)O 009740696b6b2a26a7d3d68d98b5e4aa [0,1,0,0,0,1|0,0,2]=4 2953 B12R0.172 CCCC(C)(S)CCOCC(=O)O 712d346169015ed73ef9fb6181d383b6 [0,1,0,0,0,1|0,1,1]=4 2954 B12R0.224 C#CC(CCC)OCCCC(=O)O 75d3f9b690702730a26573fe98f444a2 [0,1,0,0,0,1|1,0,1]=4 2955 B12R0.224 C=CC(CCC)OCCCC(=O)O 6f62ca3b1960ee8e2f0f60a4ad29a3db [0,1,0,0,0,1|1,0,1]=4 2956 B12R0.224 CCCC(CC)COCCC(=O)O 1cae444c1a802481bc013dfa76f58dd5 [0,1,0,0,0,1|1,0,1]=4 2957 B12R0.224 CCCC(CC)NCCCC(=O)O e1f7e91a91f31b1f5b458bb4f7d321b7 [0,1,0,0,0,1|1,0,1]=4 2958 B12R0.224 CCCC(CCOCC(=O)O)SC 266fcac7f9c9ad2a0a0f3cf3bd175501 [0,1,0,0,0,1|0,1,1]=4 2959 B12R0.224 CCCC(CO)NCCCC(=O)O 4cda40f92eefb4332431a83660ab0195 [0,1,0,0,0,1|0,0,2]=4 2960 B12R0.224 CCC[C@@H](CO)NCCCC(=O)O a481ad7bcca44c2d19725b4f22e3dfe5 [0,1,0,0,0,1|0,0,2]=4 2961 B12R0.224 CCC[C@H](CO)NCCCC(=O)O 26581cac2a45a878e4bd0096a8ba7a48 [0,1,0,0,0,1|0,0,2]=4 2962 B12R0.270 C=C(Br)CCOCC(=O)CC(C)C 91bb2ffc13a95d4b16b1e4f115e16d1b [0,1,0,0,0,1|2,0,0]=4 2963 B12R0.270 C=C(C)CC(=O)NCCCC(=O)N 0d27e56157725af133855da201bce7d2 [0,1,0,0,0,1|1,0,1]=4 2964 B12R0.270 C=C(C)CCNCC(=O)CC(C)C 487b73b87b3c5e886ac82bbf9a18d371 [0,1,0,0,0,1|2,0,0]=4 2965 B12R0.270 C=C(C)CCOCC(=O)CC(C)C daf091eadf837ee6e22a6a363d3b1170 [0,1,0,0,0,1|2,0,0]=4 2966 B12R0.270 CC(=O)CC(=O)NCCCC(=O)N 38fc2943f0745f92d4484080286e16cc [0,1,0,0,0,1|1,0,1]=4 2967 B12R0.270 CC(=O)CCNCC(=O)NC(C)C 5f670a0cae1cd1155131e117b180b9c8 [0,1,0,0,0,1|2,0,0]=4 2968 B12R0.270 CC(=O)CCOCC(=O)CC(C)C 38b6e49a26998901f858cb064839dc28 [0,1,0,0,0,1|1,0,0]=3 2969 B12R0.270 CC(=O)CCOCC(=O)NC(C)C d3d3e2bc3036bf57adf972dcbcde6471 [0,1,0,0,0,1|2,0,0]=4 2970 B12R0.270 CC(=O)CCOCC(=O)OC(C)C 02fa6a169f997ecc92117adef06e8674 [0,1,0,0,0,1|2,0,0]=4 2971 B12R0.270 CC(=O)CNCCC(=O)NC(C)C bc9c83725d44e56ed8e8333b414166c0 [0,1,0,0,0,1|2,0,0]=4 2972 B12R0.270 CC(=O)CNCCC(=O)OC(C)C d836b7292bfebd84d3483a37c4cf8330 [0,1,0,0,0,1|2,0,0]=4 2973 B12R0.270 CC(=O)CNCOC(=O)CC(C)C 71e7337eb5113ef5b64692a6c7491d04 [0,1,0,0,0,1|2,0,0]=4 2974 B12R0.270 CC(=O)COCCC(=O)NC(C)C 13bf2a4fd68aa096cd9af0201465070e [0,1,0,0,0,1|2,0,0]=4 2975 B12R0.270 CC(=O)COCCC(=O)OC(C)C 138b0e6d57e52a92d7755f311c537e00 [0,1,0,0,0,1|2,0,0]=4 2976 B12R0.270 CC(=O)COCOC(=O)CC(C)C 9c61ad0cd29dac3e07b25bf6e959d3cb [0,1,0,0,0,1|2,0,0]=4 2977 B12R0.270 CC(=O)NCCNC(=O)CC(C)C ac7fcaf4d985cdbf9ae9411a69870bcb [0,1,0,0,0,1|2,0,0]=4 2978 B12R0.270 CC(=O)NCCNC(=O)CC(C)O ae2b91600c72d9d3c3eac4ff3b1e16d3 [0,1,0,0,0,1|2,0,0]=4 2979 B12R0.270 CC(=O)NCCNC(=O)C[C@@H](C)O 4c1a27eb0669cf1b819c281e8c32fc3e [0,1,0,0,0,1|2,0,0]=4 2980 B12R0.270 CC(=O)NCCNC(=O)C[C@H](C)O 01e3e7d5bd4e03beec8ce9dd643dfdd6 [0,1,0,0,0,1|2,0,0]=4 2981 B12R0.270 CC(=O)NCOCC(=O)CC(C)C 178ceee3df2ac5687bbf360309981abc [0,1,0,0,0,1|2,0,0]=4 2982 B12R0.270 CC(C)CC(=O)CNCCC(=O)N aff970a4ca37e3889c098c76cfc9f842 [0,1,0,0,0,1|1,0,0]=3 2983 B12R0.270 CC(C)CC(=O)CNCCC(=O)O 417803f7813736ff32ea79d9c43bed36 [0,1,0,0,0,1|0,0,0]=2 2984 B12R0.270 CC(C)CC(=O)CNCCC(=S)N e28165714583d29862bb785ed8f951ce [0,1,0,0,0,1|1,1,0]=4 2985 B12R0.270 CC(C)CC(=O)CNCCC(C)O d2681ed8a94899d760e2cb3211ac86a1 [0,1,0,0,0,1|1,0,1]=4 2986 B12R0.270 CC(C)CC(=O)CNCCS(=O)C 37a9b1f07f1a6b96f24b46b778fa480e [0,1,0,0,0,1|2,0,0]=4 2987 B12R0.270 CC(C)CC(=O)CNCCS(=O)O 229ec8b2a7e5921aa925049622506433 [0,1,0,0,0,1|1,0,0]=3 2988 B12R0.270 CC(C)CC(=O)CNCC[C@@H](C)O f3fa98487d805d32d8a1de0ff286d543 [0,1,0,0,0,1|1,0,1]=4 2989 B12R0.270 CC(C)CC(=O)CNCC[C@H](C)O bac88df339d631873124d3f1738a3f67 [0,1,0,0,0,1|1,0,1]=4 2990 B12R0.270 CC(C)CC(=O)COCCC(=O)N b7c8871a5570f66629914dc9a98a3aec [0,1,0,0,0,1|1,0,0]=3 2991 B12R0.270 CC(C)CC(=O)COCCC(=O)O ac02fb5cbf6ec18fe3b28f3b8c17c75d [0,1,0,0,0,1|0,0,0]=2 2992 B12R0.270 CC(C)CC(=O)COCCS(=O)C 934b232f8ea6fefe40c9922fea17815d [0,1,0,0,0,1|2,0,0]=4 2993 B12R0.270 CC(C)CC(=O)COCC[N+](=O)[O-] 32bc96de13d69268eb38f43f67165cfe [0,1,0,0,0,1|1,0,1]=4 2994 B12R0.270 CC(C)CC(=O)COCNC(=O)N d7d870b71ba237f426fb051b72234963 [0,1,0,0,0,1|2,0,0]=4 2995 B12R0.270 CC(C)CC(=O)NCCCC(=O)N 1c67d69af63f78e9777ab194d45689c7 [0,1,0,0,0,1|1,0,0]=3 2996 B12R0.270 CC(C)CC(=O)NCCCS(=O)C 2af39cd84a6dccd906f76191334dc29a [0,1,0,0,0,1|2,0,0]=4 2997 B12R0.270 CC(C)CC(=O)OCNCC(=O)N 2f6337c28d46ffec42ec3b2c2b838352 [0,1,0,0,0,1|2,0,0]=4 2998 B12R0.270 CC(C)CC(=O)OCNCC(=O)O ddf3d5cf18d4cd04f4f318fa5af12200 [0,1,0,0,0,1|1,0,0]=3 2999 B12R0.270 CC(C)CC(=O)OCOCC(=O)N 8ac6d43bc57284aad8f4d3d486438a7c [0,1,0,0,0,1|2,0,0]=4 3000 B12R0.270 CC(C)CC(=O)OCOCC(=O)O 4dac176aa14b32f7a41983ae0e1b3695 [0,1,0,0,0,1|1,0,0]=3 3001 B12R0.270 CC(C)CC(=O)OCOCS(=O)O acc081da66c47f227f9b6c2faf3c0880 [0,1,0,0,0,1|2,0,0]=4 3002 B12R0.270 CC(C)CC(C)CCOCC(=O)O aab65e3f14c06c7171ad4b9a51831717 [0,1,0,0,0,1|1,0,1]=4 3003 B12R0.270 CC(C)CC(C)COCCC(=O)O 1c3f121e6fb243d2c27a89262505e6dc [0,1,0,0,0,1|1,0,1]=4 3004 B12R0.270 CC(C)CC(C)NCCCC(=O)O b2a421976c78791f4a3f6c839b7b4254 [0,1,0,0,0,1|1,0,1]=4 3005 B12R0.270 CC(C)CC(O)CNCCC(=O)O bebc7e1621122bafe4b4f7d46e3ffaf8 [0,1,0,0,0,1|0,0,2]=4 3006 B12R0.270 CC(C)CN(C)CCCCC(=O)O 06a44cccf72b62bbf632e3ebf2ade7b2 [0,1,0,0,0,1|2,0,0]=4 3007 B12R0.270 CC(C)NC(=O)CCNCC(=O)N c94d1c5d566ad4a7c37a7765db2bf240 [0,1,0,0,0,1|2,0,0]=4 3008 B12R0.270 CC(C)NC(=O)CCNCC(=O)O 072d46b4aec9b14c4f737ef0f5952129 [0,1,0,0,0,1|1,0,0]=3 3009 B12R0.270 CC(C)NC(=O)CCOCC(=O)N 06f4e19cb7123e22d3f88d457765e207 [0,1,0,0,0,1|2,0,0]=4 3010 B12R0.270 CC(C)NC(=O)CCOCC(=O)O b444f01ce26182eca2849ee098db13f8 [0,1,0,0,0,1|1,0,0]=3 3011 B12R0.270 CC(C)NC(=O)CCOCS(=O)O a7bbaf705d0d5781c8655df5972e85af [0,1,0,0,0,1|2,0,0]=4 3012 B12R0.270 CC(C)NC(=O)CNCCC(=O)N df865bfb5a8042ce58b8ece18949207c [0,1,0,0,0,1|2,0,0]=4 3013 B12R0.270 CC(C)NC(=O)CNCCC(=O)O 6209659805637b2b1a6b14fc12fc5e66 [0,1,0,0,0,1|1,0,0]=3 3014 B12R0.270 CC(C)NC(=O)CNCCS(=O)O fb950b579813634a456bff60abc71f75 [0,1,0,0,0,1|2,0,0]=4 3015 B12R0.270 CC(C)NC(=O)COCCC(=O)N 22b1beb1c49593bf4d451e1f36ceee0a [0,1,0,0,0,1|2,0,0]=4 3016 B12R0.270 CC(C)NC(=O)COCCC(=O)O 182d7c0effa9a13f284b00aec6561827 [0,1,0,0,0,1|1,0,0]=3 3017 B12R0.270 CC(C)OC(=O)CCNCC(=O)N 6ea683f867f19731f207b7ab567853e4 [0,1,0,0,0,1|2,0,0]=4 3018 B12R0.270 CC(C)OC(=O)CCNCC(=O)O e2f00b364a038897b1999527de687edf [0,1,0,0,0,1|1,0,0]=3 3019 B12R0.270 CC(C)OC(=O)CCOCC(=O)N e3ea312fba36546a0962da324adc00f3 [0,1,0,0,0,1|2,0,0]=4 3020 B12R0.270 CC(C)OC(=O)CCOCC(=O)O 1258f6fc61203375442f520138630818 [0,1,0,0,0,1|1,0,0]=3 3021 B12R0.270 CC(C)OC(=O)CCOCS(=O)O 4c71402c3f9a1fd28cfcdd3ae5cb06fd [0,1,0,0,0,1|2,0,0]=4 3022 B12R0.270 CC(C)OC(=O)CNCCC(=O)N d72d5812df3a333000d3d6628cf7b7fe [0,1,0,0,0,1|2,0,0]=4 3023 B12R0.270 CC(C)OC(=O)CNCCC(=O)O 4a4fff073b66dd6972e88eeedaf18588 [0,1,0,0,0,1|1,0,0]=3 3024 B12R0.270 CC(C)OC(=O)CNCCS(=O)O 5958a5e4e957f68e01b755a23ff730c8 [0,1,0,0,0,1|2,0,0]=4 3025 B12R0.270 CC(C)OC(=O)COCCC(=O)N 9d43fada761e1cb22901391619c2c6a4 [0,1,0,0,0,1|2,0,0]=4 3026 B12R0.270 CC(C)OC(=O)COCCC(=O)O d65b4b2d9a92f76e149743aae6abfe9a [0,1,0,0,0,1|1,0,0]=3 3027 B12R0.270 CC(C)OC(=O)OCNCC(=O)O 7938f2005516a03449243de2f07f3e2e [0,1,0,0,0,1|2,0,0]=4 3028 B12R0.270 CC(C)OC(=O)OCOCC(=O)O 0de9ca55e04ed4710a0a00b477e54995 [0,1,0,0,0,1|2,0,0]=4 3029 B12R0.270 CC(O)CC(=O)NCCCC(=O)N 0a9a6569ef3cdcb7f3eb1adbfb9d2c30 [0,1,0,0,0,1|1,0,0]=3 3030 B12R0.270 CC(O)CC(=O)NCCCS(=O)C 4a5567336c2c61053ac6691fc392e5d5 [0,1,0,0,0,1|2,0,0]=4 3031 B12R0.270 CC(O)CC(C)NCCCC(=O)O f954cb9dc5452c28a3e43ab9b2ec6ad9 [0,1,0,0,0,1|1,0,1]=4 3032 B12R0.270 CC(O)CN(C)CCCCC(=O)O 4b62d3b8a52ff2ecae15eae9c4340b46 [0,1,0,0,0,1|2,0,0]=4 3033 B12R0.270 CC(O)CN(C)CCOCC(=O)O 6a484b690da3960a7ecf5930140231ce [0,1,0,0,0,1|2,0,0]=4 3034 B12R0.270 CN(C)CC(=O)NCCCC(=O)N 7af996cdde8822bbb917f5553ae0d9cc [0,1,0,0,0,1|2,0,0]=4 3035 B12R0.270 C[C@@H](O)CC(=O)NCCCC(=O)N bd19815d02915c7c696d0efef84a48e4 [0,1,0,0,0,1|1,0,0]=3 3036 B12R0.270 C[C@@H](O)CC(=O)NCCCS(=O)C fd8fc83013901758a9bb7a87a4e42b75 [0,1,0,0,0,1|2,0,0]=4 3037 B12R0.270 C[C@@H](O)CN(C)CCCCC(=O)O 468a77ae7db00fd288ecab51eaed9177 [0,1,0,0,0,1|2,0,0]=4 3038 B12R0.270 C[C@H](O)CC(=O)NCCCC(=O)N 87aaeb9955f4151bfe2882ddf013d918 [0,1,0,0,0,1|1,0,0]=3 3039 B12R0.270 C[C@H](O)CC(=O)NCCCS(=O)C 8ec9f7fa828d1a7b398ef99e79a5738e [0,1,0,0,0,1|2,0,0]=4 3040 B12R0.270 C[C@H](O)CN(C)CCCCC(=O)O 87ec8cd913a8a3a0f04e67c31eb7ebd4 [0,1,0,0,0,1|2,0,0]=4 3041 B12R0.270 C[C@H](O)CN(C)CCOCC(=O)O cac909d1c22ae0446660e11eb3aea262 [0,1,0,0,0,1|2,0,0]=4 3042 B12R0.270 NC(=O)CCCNC(=O)CC(F)F 487bd3b76a176fac907e2f366c66788e [0,1,0,0,0,1|2,0,0]=4 3043 B12R0.270 O=C(O)CCNCC(=O)CC(=O)O 65f737e6f383729dfaac3d482b7bf7c4 [0,1,0,0,0,1|1,0,1]=4 3044 B12R0.270 O=C(O)CCOCC(=O)CC(=O)O 69cd7b21d5644c705d81d6bb3150e944 [0,1,0,0,0,1|1,0,1]=4 3045 B12R0.272 CC(CC(=O)O)NCC(=O)NCO 103e23408fc9488cad6e5c1dff6e5876 [0,1,0,0,0,1|2,0,0]=4 3046 B12R0.272 CCCC(=O)CNC(C)CC(=O)O fee0c63fff0cdcae74d6565978811e9d [0,1,0,0,0,1|0,0,0]=2 3047 B12R0.272 CCCC(=O)CNC(C)CC(C)O d8f000e2e674c2b674b682b688b7ae0b [0,1,0,0,0,1|1,0,1]=4 3048 B12R0.272 CCCC(=O)CN[C@@H](C)CC(=O)O 114bd4796510f046d0e00b7ccdfda106 [0,1,0,0,0,1|0,0,0]=2 3049 B12R0.272 CCCC(=O)CN[C@H](C)CC(=O)O 0ebc6946d615af2b5d6745f186baa4b8 [0,1,0,0,0,1|0,0,0]=2 3050 B12R0.272 CCCC(=O)COC(C)CC(=O)N 639c62b1e5526bcfa70513d3e9a0a54e [0,1,0,0,0,1|1,0,0]=3 3051 B12R0.272 CCCC(=O)COC(C)C[N+](=O)[O-] 23e2aba2b97447babcf0368c8d4000d0 [0,1,0,0,0,1|1,0,1]=4 3052 B12R0.272 CCCC(=O)OCN(C)CC(=O)N ac81d8eb07a0a786fba4bc90a743c53f [0,1,0,0,0,1|2,0,0]=4 3053 B12R0.272 CCCC(=O)OCN(C)CC(=O)O d3d19e0f68fec62749755dcf7c797c62 [0,1,0,0,0,1|1,0,0]=3 3054 B12R0.272 CCCC(=S)OCC(=O)CC(=O)O d70bce6e7cc091c56919740651d87e7f [0,1,0,0,0,1|0,1,1]=4 3055 B12R0.272 CCCC(C)CNC(C)CC(=O)O 52d44665b981a9f6c840b8fc4bb5a9a9 [0,1,0,0,0,1|1,0,1]=4 3056 B12R0.272 CCCC(C)CN[C@@H](C)CC(=O)O c08a3c76edbb72ce7d6510dbdd3148a5 [0,1,0,0,0,1|1,0,1]=4 3057 B12R0.272 CCCC(C)CN[C@H](C)CC(=O)O f1d1d7b08594e44a90ce390f52dde199 [0,1,0,0,0,1|1,0,1]=4 3058 B12R0.272 CCCC(C)COC(C)CC(=O)O 328fd6b26b5eb201a2b877371d053d1a [0,1,0,0,0,1|1,0,1]=4 3059 B12R0.272 CCCC(C)CO[C@@H](C)CC(=O)O b8c636fb03aaa9c7778dce6eee3e66a8 [0,1,0,0,0,1|1,0,1]=4 3060 B12R0.272 CCCC(C)CO[C@H](C)CC(=O)O adea76210b09e2c3c6aab695a963dd62 [0,1,0,0,0,1|1,0,1]=4 3061 B12R0.272 CCCC(C)NCC(O)CC(=O)O b6f59ba1d8ded684e352205538241481 [0,1,0,0,0,1|1,0,1]=4 3062 B12R0.272 CCCC(C)NC[C@@H](O)CC(=O)O 129aec8fb98beb3e7ae90dfc44fd848c [0,1,0,0,0,1|1,0,1]=4 3063 B12R0.272 CCCC(C)NC[C@H](O)CC(=O)O b29c01fc6bcf41c0a78af6b476750cb4 [0,1,0,0,0,1|1,0,1]=4 3064 B12R0.272 CCCC(O)CNC(C)CC(=O)O 562acaa0fb488a33d75e40e19f56b507 [0,1,0,0,0,1|0,0,2]=4 3065 B12R0.272 CCCN(C)CCC(C)CC(=O)O c461c5bc95d0c3fa62c1462e6fc9af63 [0,1,0,0,0,1|2,0,0]=4 3066 B12R0.272 CCNC(=O)CCN(C)CC(=O)N 54422382bd45f166cb67b465bbb1d60d [0,1,0,0,0,1|2,0,0]=4 3067 B12R0.272 CCNC(=O)CCN(C)CC(=O)O a4219ef5c04b93b9343a3992441c95c9 [0,1,0,0,0,1|1,0,0]=3 3068 B12R0.272 CCNC(=O)CNC(C)CC(=O)O a007aabbfbeaa0419e5787ae7a390107 [0,1,0,0,0,1|1,0,0]=3 3069 B12R0.272 CCNC(=O)CN[C@@H](C)CC(=O)O 2a87996714379b3ff4e6fcf6c660a9d2 [0,1,0,0,0,1|1,0,0]=3 3070 B12R0.272 CCNC(=O)CN[C@H](C)CC(=O)O c868d088160dbedd6d0c3cf36c65c49c [0,1,0,0,0,1|1,0,0]=3 3071 B12R0.272 CCNC(=O)COC(C)CC(=O)N 9177a9117933dd3fdf4a48cc84ce2142 [0,1,0,0,0,1|2,0,0]=4 3072 B12R0.272 CCNC(=O)COC(C)CC(=O)O 76b93b6ac7e44dcb311499c21e8128e5 [0,1,0,0,0,1|1,0,0]=3 3073 B12R0.272 CCNC(=O)CO[C@@H](C)CC(=O)O 28aa5ead0932d209d0bc7c1a74103a16 [0,1,0,0,0,1|1,0,0]=3 3074 B12R0.272 CCNC(=O)CO[C@H](C)CC(=O)O 51443fedd39dcedd3e426a22f11acb3d [0,1,0,0,0,1|1,0,0]=3 3075 B12R0.272 CCOC(=O)CCN(C)CC(=O)N 00f5e8975b164524d497ae532b806b83 [0,1,0,0,0,1|2,0,0]=4 3076 B12R0.272 CCOC(=O)CCN(C)CC(=O)O 667dff8a37d7400671082ef512356ec2 [0,1,0,0,0,1|1,0,0]=3 3077 B12R0.272 CCOC(=O)CNC(C)CC(=O)O e09a89e68c22b5c97cb71d783d2c1021 [0,1,0,0,0,1|1,0,0]=3 3078 B12R0.272 CCOC(=O)CN[C@@H](C)CC(=O)O 1eda829830e32a8e5ba2d2ec71f9a236 [0,1,0,0,0,1|1,0,0]=3 3079 B12R0.272 CCOC(=O)CN[C@H](C)CC(=O)O 5f5e91105149d6a2c0610b72d4e51458 [0,1,0,0,0,1|1,0,0]=3 3080 B12R0.272 CCOC(=O)COC(C)CC(=O)N b2448125e02369a5bdf5f380e90f1c5a [0,1,0,0,0,1|2,0,0]=4 3081 B12R0.272 CCOC(=O)COC(C)CC(=O)O d71c4d0ddb497f329ff84605d715ce3a [0,1,0,0,0,1|1,0,0]=3 3082 B12R0.272 CCOC(=O)CO[C@@H](C)CC(=O)O 4b1722fd5f68c1b2605d602e7b38ee0c [0,1,0,0,0,1|1,0,0]=3 3083 B12R0.272 CCOC(=O)CO[C@H](C)CC(=O)O 33eb1589ba1f05ea0f055b3776564b7f [0,1,0,0,0,1|1,0,0]=3 3084 B12R0.272 CCOC(=O)OCN(C)CC(=O)O b7b644ea88f62f960b877306af903bec [0,1,0,0,0,1|2,0,0]=4 3085 B12R0.272 CCSC(=O)OCN(C)CC(=O)O 9d7b79193b27b41984d065e8a47841cd [0,1,0,0,0,1|2,0,0]=4 3086 B12R0.272 COCC(=O)COC(C)CC(=O)N 55b20f12af1accdacba6dec68fe4949f [0,1,0,0,0,1|2,0,0]=4 3087 B12R0.272 C[C@@H](CC(=O)O)NCC(=O)NCO 1cc52b441e4a7c690caa5dc05877dc04 [0,1,0,0,0,1|2,0,0]=4 3088 B12R0.272 C[C@H](CC(=O)O)NCC(=O)NCO 0f7cb4f70be001fca55b5cd14340fea6 [0,1,0,0,0,1|2,0,0]=4 3089 B12R0.276 C#CC(=O)NCCCC(=O)OCC b40f2bd2e95ff40405f3c5f5b2a2985e [0,1,0,0,0,1|2,0,0]=4 3090 B12R0.276 C#CCC(=O)NCCCC(=O)OC edcc2fd3fa80ad3304234279b2240810 [0,1,0,0,0,1|0,0,2]=4 3091 B12R0.276 C/C=C/C(=O)NCCCC(=O)OC 08376884ffb74e959f34217ab5d37bdb [0,1,0,0,0,1|0,0,2]=4 3092 B12R0.276 C=C(C=O)OCCCC(=O)OCC 2f7962603e591d6fcd2c4ecc6cffedb6 [0,1,0,0,0,1|2,0,0]=4 3093 B12R0.276 C=C(CNCCC(=O)OCC)OC ca293ce924a62514b6624d5987e4105d [0,1,0,0,0,1|2,0,0]=4 3094 B12R0.276 C=C(CO)CNCCC(=O)OCC 81e8710a5821b25bef9ddf9efa19abc3 [0,1,0,0,0,1|2,0,0]=4 3095 B12R0.276 C=C(COCCC(=O)OCC)OC d597247d150357844216f019f7f7047e [0,1,0,0,0,1|2,0,0]=4 3096 B12R0.276 C=CC(=O)CCCOC(=S)CCC 699f6a348de96abf58d2587b154ce599 [0,1,0,0,0,1|1,1,0]=4 3097 B12R0.276 C=CC(=O)NCCCC(=O)OCC 506542650d0fae1ae6c32cf2e4dd9848 [0,1,0,0,0,1|2,0,0]=4 3098 B12R0.276 C=CC(=O)NCCNC(=O)CCC b41c2649271f19889a627c28b15f5dad [0,1,0,0,0,1|2,0,0]=4 3099 B12R0.276 C=CC(=O)NCOCC(=O)CCC e3322192d3c70725afaf32a406ef4eee [0,1,0,0,0,1|2,0,0]=4 3100 B12R0.276 C=CCC(=O)NCCCC(=O)OC 62c1d6c831da116dbfdfc7417aef8843 [0,1,0,0,0,1|0,0,2]=4 3101 B12R0.276 CC#CC(=O)NCCCC(=O)OC 93f0e66d400ddb1bc520af6ca0f18650 [0,1,0,0,0,1|0,0,2]=4 3102 B12R0.276 CCCC(=O)CNCCC(=O)NC 225428203d233e7eb9544cb7eb9ada14 [0,1,0,0,0,1|1,0,0]=3 3103 B12R0.276 CCCC(=O)CNCCC(=O)NO f4ea12e34968730fd11534af4c27d119 [0,1,0,0,0,1|0,0,0]=2 3104 B12R0.276 CCCC(=O)CNCCC(=O)OC ff5b45e6d57e6c08f44a7a7826eb4322 [0,1,0,0,0,1|0,0,0]=2 3105 B12R0.276 CCCC(=O)CNCCC(C)CO 5aae0a4b9d2795659040bde0d82892bb [0,1,0,0,0,1|1,0,1]=4 3106 B12R0.276 CCCC(=O)CNCCC(O)CO c72b5ba6fe9946502962ae7613548898 [0,1,0,0,0,1|0,0,2]=4 3107 B12R0.276 CCCC(=O)CNCC[C@@H](C)CO b1c1414adbf69521b3950cdae649abc7 [0,1,0,0,0,1|1,0,1]=4 3108 B12R0.276 CCCC(=O)COCCC(=O)NC 1c7a5e7e2348763c348d8187567e95ea [0,1,0,0,0,1|1,0,0]=3 3109 B12R0.276 CCCC(=O)COCCC(=O)OC e4767c4a9de8a2e6600a4d60f87a6e6c [0,1,0,0,0,1|0,0,0]=2 3110 B12R0.276 CCCC(=O)COCCC(C)OC 2912188d150e016287e770c7d5f965b9 [0,1,0,0,0,1|1,0,1]=4 3111 B12R0.276 CCCC(=O)COCCN(C)C=O 7923890df369458dccf5ee718dc6a654 [0,1,0,0,0,1|2,0,0]=4 3112 B12R0.276 CCCC(=O)NCCCC(=O)OC 0b6d878da113c887b1650eb508a860cf [0,1,0,0,0,1|0,0,0]=2 3113 B12R0.276 CCCC(=O)NCCCC(C)CO b600fdc6d95aeb9b7e936d7c088ccd4e [0,1,0,0,0,1|1,0,1]=4 3114 B12R0.276 CCCC(=O)NCCNC(=O)CC b34acb0ac4f8f5b80c853213c5dd2688 [0,1,0,0,0,1|2,0,0]=4 3115 B12R0.276 CCCC(=O)OCNCC(=O)NC 481054dbe1a6186629c8da61cb1f5cbc [0,1,0,0,0,1|2,0,0]=4 3116 B12R0.276 CCCC(=O)OCNCC(=O)NO bebc912711bb39be54abab0388fcb8b4 [0,1,0,0,0,1|1,0,0]=3 3117 B12R0.276 CCCC(=O)OCNCC(=O)OC 42fc508b3f6855685d2f11bc5b7cf3d2 [0,1,0,0,0,1|1,0,0]=3 3118 B12R0.276 CCCC(=O)OCOCC(=O)CC 1cc4b38efa7c501f34136db55a54cb2f [0,1,0,0,0,1|2,0,0]=4 3119 B12R0.276 CCCC(=O)OCOCC(=O)NC 1e956095281dddd267e59a5175faab35 [0,1,0,0,0,1|2,0,0]=4 3120 B12R0.276 CCCC(=O)OCOCC(=O)OC c5ad0689f3f17cb4ece56825443040d7 [0,1,0,0,0,1|1,0,0]=3 3121 B12R0.276 CCCC(=S)OCCCC(=O)NC d7d5e8fa6a577208ed7cd3bd59b14baa [0,1,0,0,0,1|1,1,0]=4 3122 B12R0.276 CCCC(=S)OCCCC(=O)OC 8fcf57b0290d5df6df42a85499942761 [0,1,0,0,0,1|0,1,0]=3 3123 B12R0.276 CCCC(C)CCOCC(=O)OC 3fa6e1c0690926391a688258701cb762 [0,1,0,0,0,1|1,0,1]=4 3124 B12R0.276 CCCC(C)CNCCC(=O)NO bbb2d16d5481e594b9dbdecdb6ef5104 [0,1,0,0,0,1|1,0,1]=4 3125 B12R0.276 CCCC(C)CNCCC(=O)OC 5f24d1d7bcc3289cf765de13760cf6ab [0,1,0,0,0,1|1,0,1]=4 3126 B12R0.276 CCCC(C)COCCC(=O)OC 969c10174f1eb4784f7f1324cc6391a8 [0,1,0,0,0,1|1,0,1]=4 3127 B12R0.276 CCCC(C)NCCCC(=O)OC 929e513bb617f3c7d6a9a8e2fc08f84f [0,1,0,0,0,1|1,0,1]=4 3128 B12R0.276 CCCC(C)OCCCC(=O)OC db75a2a356fe5ef9f9f8efb9e91a9ca4 [0,1,0,0,0,1|1,0,1]=4 3129 B12R0.276 CCCC(O)CNCCC(=O)OC 0f78f74429b497ff7e6fbd7b428b6a6c [0,1,0,0,0,1|0,0,2]=4 3130 B12R0.276 CCCC(S)CCOCC(=O)OC 377938372e85bab9cb8b68a43b40cf32 [0,1,0,0,0,1|0,1,1]=4 3131 B12R0.276 CCCN(C)CCCCC(=O)OC 4ec487776341106fe31bf98944784fcc [0,1,0,0,0,1|2,0,0]=4 3132 B12R0.276 CCCN(C)CCOCC(=O)OC c915d2a1feafd5547bca9e797ed873c3 [0,1,0,0,0,1|2,0,0]=4 3133 B12R0.276 CCC[C@@H](C)OCCCC(=O)OC cc68085ebf43856d9e1ce0d5de184007 [0,1,0,0,0,1|1,0,1]=4 3134 B12R0.276 CCC[C@H](C)NCCCC(=O)OC b8e6c9f4e3a0098b854d2a907e64d055 [0,1,0,0,0,1|1,0,1]=4 3135 B12R0.276 CCC[C@H](C)OCCCC(=O)OC 307bb2cf23f9bed8e8e443c088e9f724 [0,1,0,0,0,1|1,0,1]=4 3136 B12R0.276 CCNC(=O)CCNCC(=O)NC aa294fc3c2f9ecb8aab87f48c7c0560c [0,1,0,0,0,1|2,0,0]=4 3137 B12R0.276 CCNC(=O)CCNCC(=O)NO 05522278c1e26f92f691bca4880523ef [0,1,0,0,0,1|1,0,0]=3 3138 B12R0.276 CCNC(=O)CCNCC(=O)OC 6cde8bdb3f0e71d5a26b569c8fc227d5 [0,1,0,0,0,1|1,0,0]=3 3139 B12R0.276 CCNC(=O)CCOCC(=O)CC 34bc77a2754326d48be54992d451ac35 [0,1,0,0,0,1|2,0,0]=4 3140 B12R0.276 CCNC(=O)CCOCC(=O)NC 7b03d6e45ad17ee66e268d3dbd5ba353 [0,1,0,0,0,1|2,0,0]=4 3141 B12R0.276 CCNC(=O)CCOCC(=O)OC 244a688ea2063c59418437ba447412c0 [0,1,0,0,0,1|1,0,0]=3 3142 B12R0.276 CCNC(=O)CNCCC(=O)NC c4090f8fec2d3d54b4077f3d2e6da241 [0,1,0,0,0,1|2,0,0]=4 3143 B12R0.276 CCNC(=O)CNCCC(=O)NO a6ab642a6db521cda7a4230d6e35ce49 [0,1,0,0,0,1|1,0,0]=3 3144 B12R0.276 CCNC(=O)CNCCC(=O)OC 102d4f598a89a44b6cc8c67e88f21a3d [0,1,0,0,0,1|1,0,0]=3 3145 B12R0.276 CCNC(=O)CNCOC(=O)OC cb823ced8ed90a5ebd4e3792dfa5076f [0,1,0,0,0,1|2,0,0]=4 3146 B12R0.276 CCNC(=O)COCCC(=O)NC ab6922acfab274a11f3bac332ef78854 [0,1,0,0,0,1|2,0,0]=4 3147 B12R0.276 CCNC(=O)COCCC(=O)OC c373531b8cff6a42a50fb697cf071dd1 [0,1,0,0,0,1|1,0,0]=3 3148 B12R0.276 CCNC(=O)COCOC(=O)OC 28f0574201cc443d8fae0c3dc6ad6b45 [0,1,0,0,0,1|2,0,0]=4 3149 B12R0.276 CCOC(=O)CCCNC(=O)C=O 4c9136a26d353ecd984eb1fdf168a00c [0,1,0,0,0,1|1,0,1]=4 3150 B12R0.276 CCOC(=O)CCCNC(=O)CC ef05590912234997853b2f5a970cfbd0 [0,1,0,0,0,1|2,0,0]=4 3151 B12R0.276 CCOC(=O)CCCNC(=O)CF 81066440a9c22fb9fcb27b6278bc0417 [0,1,0,0,0,1|2,0,0]=4 3152 B12R0.276 CCOC(=O)CCCNC(=O)CO 4866ea1f99c522adc878bc5cb8fe425a [0,1,0,0,0,1|1,0,0]=3 3153 B12R0.276 CCOC(=O)CCCNC(=O)CS 3300adc5e01e4bb2bf6b5ca82d6c94c1 [0,1,0,0,0,1|1,1,0]=4 3154 B12R0.276 CCOC(=O)CCNCC(=O)CC 930039551c72d950101ab73fc14a2cd0 [0,1,0,0,0,1|2,0,0]=4 3155 B12R0.276 CCOC(=O)CCNCC(=O)CO 2043da1aafe1bc2b318951aff9c0d65d [0,1,0,0,0,1|1,0,0]=3 3156 B12R0.276 CCOC(=O)CCNCC(=O)NC f1cb1e315d30f22c5e1a3db696613804 [0,1,0,0,0,1|2,0,0]=4 3157 B12R0.276 CCOC(=O)CCNCC(=O)NO c7b805762a3b272c203012e527b12cb4 [0,1,0,0,0,1|1,0,0]=3 3158 B12R0.276 CCOC(=O)CCNCC(=O)OC 5486d75fb406e374a8bae19ac1e35f8a [0,1,0,0,0,1|1,0,0]=3 3159 B12R0.276 CCOC(=O)CCOCC(=O)CC f26386f48670dd2739eebac43a7e5b50 [0,1,0,0,0,1|2,0,0]=4 3160 B12R0.276 CCOC(=O)CCOCC(=O)NC 22901436d199c8a76fe2a5659d19e77e [0,1,0,0,0,1|2,0,0]=4 3161 B12R0.276 CCOC(=O)CCOCC(=O)OC 1f91ac83360a2b295b90db2749167ac5 [0,1,0,0,0,1|1,0,0]=3 3162 B12R0.276 CCOC(=O)CNCCC(=O)NC e51e4f37930ab8204b0611e70f0c8a56 [0,1,0,0,0,1|2,0,0]=4 3163 B12R0.276 CCOC(=O)CNCCC(=O)NO e90f50e3c7b78340e3007d041d382d0c [0,1,0,0,0,1|1,0,0]=3 3164 B12R0.276 CCOC(=O)CNCCC(=O)OC 970dffd10f633e4171074acf6d5798c8 [0,1,0,0,0,1|1,0,0]=3 3165 B12R0.276 CCOC(=O)CNCOC(=O)OC 9e48190de648781fe33a7521e7f85bf4 [0,1,0,0,0,1|2,0,0]=4 3166 B12R0.276 CCOC(=O)COCCC(=O)NC aed2930d61a98da9872a35e96a9e3864 [0,1,0,0,0,1|2,0,0]=4 3167 B12R0.276 CCOC(=O)COCCC(=O)OC ad2bc18f19eae41e499fcb75b0036744 [0,1,0,0,0,1|1,0,0]=3 3168 B12R0.276 CCOC(=O)COCOC(=O)OC ad3852fc5300523445e77e10d5de7110 [0,1,0,0,0,1|2,0,0]=4 3169 B12R0.276 CCOC(=O)OCNCC(=O)NO 48fefa947b93c3574223601c69c1c858 [0,1,0,0,0,1|2,0,0]=4 3170 B12R0.276 CCOC(=O)OCNCC(=O)OC 68dd16c072022b9309d623907e7c52d7 [0,1,0,0,0,1|2,0,0]=4 3171 B12R0.276 CCOC(=O)OCOCC(=O)OC 71220faf54353f20a81360871fc206a6 [0,1,0,0,0,1|2,0,0]=4 3172 B12R0.276 CCSC(=O)OCNCC(=O)NO 392e34c70af9a86207fa8f960940a450 [0,1,0,0,0,1|2,0,0]=4 3173 B12R0.276 CCSC(=O)OCNCC(=O)OC b46948314f84b09ea1244e255c96944b [0,1,0,0,0,1|2,0,0]=4 3174 B12R0.276 CCSC(=O)OCOCC(=O)OC 1b48f93ab571b7b6c35a7b979346e6ef [0,1,0,0,0,1|2,0,0]=4 3175 B12R0.276 CNC(=O)CCNCC(=O)COC 314782c8fa55d49a6486da0bf4b5ffb9 [0,1,0,0,0,1|2,0,0]=4 3176 B12R0.276 CNC(=O)CCOCC(=O)COC 7d1e679a2d07c1b96b2c5bd81cea571d [0,1,0,0,0,1|2,0,0]=4 3177 B12R0.276 COC(=O)CCCNC(=O)CC#N 4d4b0f1449a5efb7f86b400b9c2d5044 [0,1,0,0,0,1|1,0,1]=4 3178 B12R0.276 COC(=O)CCCNC(=O)CC=O cc83e7a6d29584e2b4e3122bead9d43c [0,1,0,0,0,1|1,0,1]=4 3179 B12R0.276 COC(=O)CCCNC(=O)CCF 94354dd6af87e3ac26444f2f0e674459 [0,1,0,0,0,1|1,0,0]=3 3180 B12R0.276 COC(=O)CCCNC(=O)CCO 98219a1927f40654bc75678b1d79a758 [0,1,0,0,0,1|1,0,0]=3 3181 B12R0.276 COC(=O)CCCNC(=O)CCS 17d84551b9cc2a539a862a23831169fb [0,1,0,0,0,1|1,0,0]=3 3182 B12R0.276 COC(=O)CCCNC(=O)CON 4c0a1022a42b088649cfc5ed4d707a99 [0,1,0,0,0,1|2,0,0]=4 3183 B12R0.276 COC(=O)CCCNC(=O)CSC bc67b492f2edf994640b0360f08aaae6 [0,1,0,0,0,1|1,0,0]=3 3184 B12R0.276 COC(=O)CCNCC(=O)NCO 62cee0ff7df29c88be87d37fa851a4d4 [0,1,0,0,0,1|2,0,0]=4 3185 B12R0.276 COCC(=O)CNCCC(=O)NO 8a7ba948d36a1136fe4b82e13a7e2b96 [0,1,0,0,0,1|1,0,0]=3 3186 B12R0.276 COCC(=O)CNCCC(=O)OC c2b54c74495255cbbceebe46e214d3df [0,1,0,0,0,1|1,0,0]=3 3187 B12R0.276 COCC(=O)COCCC(=O)OC 7d23863a2d1b1012e68f1f0b2fef818e [0,1,0,0,0,1|1,0,0]=3 3188 B12R0.276 COCC(=O)NCCCC(=O)OC a1593e294afe5696cfd59dafa5fa7969 [0,1,0,0,0,1|1,0,0]=3 3189 B12R0.276 O=C(CCNCC(=O)NCO)NO c5962b5a327e598bc2082dbbe23bf658 [0,1,0,0,0,1|2,0,0]=4 3190 B12R0.279 C=C(CNCC(=O)NCC)C(=O)O 6b0835a73597bfd57b30e531e30d74a2 [0,1,0,0,0,1|1,0,1]=4 3191 B12R0.279 C=C(CNCC(=O)OCC)C(=O)O 1045cec03dabda04cf7b0bf0df5ca7df [0,1,0,0,0,1|1,0,1]=4 3192 B12R0.279 C=C(COCC(=O)CCC)C(=O)O 28819871a751fb77602cdd6408fd54f1 [0,1,0,0,0,1|0,0,1]=3 3193 B12R0.279 C=C(COCC(=O)COC)C(=O)O c40f47713af8226c1454d998a09fb85e [0,1,0,0,0,1|1,0,1]=4 3194 B12R0.279 C=C(COCC(=O)NCC)C(=O)O 99c69618356fd69420bc32f9bcf9ea1e [0,1,0,0,0,1|1,0,1]=4 3195 B12R0.279 C=C(COCC(=O)OCC)C(=O)O 4e1ebd8043edcbc54a2a598fff9db7f9 [0,1,0,0,0,1|1,0,1]=4 3196 B12R0.279 CC(CNCC(=O)NCO)C(=O)O dc9a085f11d6c8b214c9019772ab31c5 [0,1,0,0,0,1|2,0,0]=4 3197 B12R0.279 CCCC(=O)CNCC(C)C(=O)O 84d05c8bcce341b5acad9f0a042379ee [0,1,0,0,0,1|0,0,0]=2 3198 B12R0.279 CCCC(=O)CNCC(O)C(=O)O 80eeedb9ff279d60d0203041d30739c4 [0,1,0,0,0,1|0,0,0]=2 3199 B12R0.279 CCCC(=O)CNC[C@@H](C)C(=O)O 1b4229a7954facfeb0a6c0ee78e396e4 [0,1,0,0,0,1|0,0,0]=2 3200 B12R0.279 CCCC(=O)CNC[C@@H](O)C(=O)O e44776e0d7667831b74524e7f996f49f [0,1,0,0,0,1|0,0,0]=2 3201 B12R0.279 CCCC(=O)CNC[C@H](C)C(=O)O 4e9dc131521589550828540b595bd489 [0,1,0,0,0,1|0,0,0]=2 3202 B12R0.279 CCCC(=O)CNC[C@H](O)C(=O)O c324faa069f20967b526890932add084 [0,1,0,0,0,1|0,0,0]=2 3203 B12R0.279 CCCC(=O)COCC(C)C(=O)C b418bcc4e974a1bc7cba95e7800556b1 [0,1,0,0,0,1|1,0,0]=3 3204 B12R0.279 CCCC(=O)COCC(C)C(=O)O c3bac01e930dce8a44e9f637ddd45402 [0,1,0,0,0,1|0,0,0]=2 3205 B12R0.279 CCCC(=O)COCC(C)[N+](=O)[O-] a94e1bfe59c07d80556e17cc03db6c15 [0,1,0,0,0,1|1,0,1]=4 3206 B12R0.279 CCCC(=O)COC[C@@H](C)C(=O)O a6b7817ef2100299919a73306d86ff0b [0,1,0,0,0,1|0,0,0]=2 3207 B12R0.279 CCCC(=O)COC[C@H](C)C(=O)O 50d2493f83b6d38c9fc65917ffd4c2aa [0,1,0,0,0,1|0,0,0]=2 3208 B12R0.279 CCCC(=O)OCNC(C)C(=O)N c8a4097219289d2489ec42f959906028 [0,1,0,0,0,1|2,0,0]=4 3209 B12R0.279 CCCC(=O)OCNC(C)C(=O)O c4d521225e8cec6f43ffcf8fb59dd92c [0,1,0,0,0,1|1,0,0]=3 3210 B12R0.279 CCCC(=O)OCNC(O)C(=O)O f187bb112826666c4e469cf26be29306 [0,1,0,0,0,1|1,0,0]=3 3211 B12R0.279 CCCC(=O)OCN[C@@H](C)C(=O)N 48b40d23e28ed0bf344b40cb6ccb4074 [0,1,0,0,0,1|2,0,0]=4 3212 B12R0.279 CCCC(=O)OCN[C@@H](C)C(=O)O 30bfea9385e9987dd2505cde5d26c1c9 [0,1,0,0,0,1|1,0,0]=3 3213 B12R0.279 CCCC(=O)OCN[C@H](C)C(=O)N 02e39ddd1341d33154be3ca5c3ce9ec2 [0,1,0,0,0,1|2,0,0]=4 3214 B12R0.279 CCCC(=O)OCN[C@H](C)C(=O)O 1b326832b613e610e2f8a5fd7fedba2f [0,1,0,0,0,1|1,0,0]=3 3215 B12R0.279 CCCC(=O)OCOC(C)C(=O)C bf3db0eae2a2cb21c886c9d9bd743000 [0,1,0,0,0,1|2,0,0]=4 3216 B12R0.279 CCCC(=O)OCOC(C)C(=O)N 508e32c2cffa7160d1dd1b26e4e8eaae [0,1,0,0,0,1|2,0,0]=4 3217 B12R0.279 CCCC(=O)OCO[C@@H](C)C(=O)N df9142bdbfa2f0ae5522f4723d257a0d [0,1,0,0,0,1|2,0,0]=4 3218 B12R0.279 CCCC(=O)OCO[C@H](C)C(=O)N 190f4f19f449d43618a2746ac8ae5d0d [0,1,0,0,0,1|2,0,0]=4 3219 B12R0.279 CCCC(C)CCOC(C)C(=O)O ebedbbaa77e0ce745d8a29bb5e1c102d [0,1,0,0,0,1|1,0,1]=4 3220 B12R0.279 CCCC(C)CCO[C@@H](C)C(=O)O 580ee70482089c7b8b1360aa2ecc5ded [0,1,0,0,0,1|1,0,1]=4 3221 B12R0.279 CCCC(C)CCO[C@H](C)C(=O)O 3067aae2ffe1f0e5906e86c672c07447 [0,1,0,0,0,1|1,0,1]=4 3222 B12R0.279 CCCC(C)CNCC(C)C(=O)O dee2749bba83966bcd65dd680faad10d [0,1,0,0,0,1|1,0,1]=4 3223 B12R0.279 CCCC(C)CNCC(F)C(=O)O 42d55da4cfc603b10a1e8be9dc9ef6cd [0,1,0,0,0,1|1,0,1]=4 3224 B12R0.279 CCCC(C)CNCC(O)C(=O)O f81d0fdca758f65a16df0ccec4d267c7 [0,1,0,0,0,1|1,0,1]=4 3225 B12R0.279 CCCC(C)CNC[C@@H](C)C(=O)O ffc747666e0273fd9f97309e7eca9e33 [0,1,0,0,0,1|1,0,1]=4 3226 B12R0.279 CCCC(C)CNC[C@@H](O)C(=O)O 96c2fc5e319c36a4c27c05b89ed18486 [0,1,0,0,0,1|1,0,1]=4 3227 B12R0.279 CCCC(C)CNC[C@H](C)C(=O)O 52c1871a7bf8ecb74859986e34d3a71b [0,1,0,0,0,1|1,0,1]=4 3228 B12R0.279 CCCC(C)CNC[C@H](O)C(=O)O 76a60b811ec8d43f70908496f123b505 [0,1,0,0,0,1|1,0,1]=4 3229 B12R0.279 CCCC(C)COCC(C)C(=O)O 3afa9cdf132c347be6509275bf8d932c [0,1,0,0,0,1|1,0,1]=4 3230 B12R0.279 CCCC(C)COC[C@@H](C)C(=O)O df7a54800eaf1a3e2d83de4a4fd3c4f7 [0,1,0,0,0,1|1,0,1]=4 3231 B12R0.279 CCCC(C)COC[C@H](C)C(=O)O 0e7165df0d94e0c0ee564babc87a2312 [0,1,0,0,0,1|1,0,1]=4 3232 B12R0.279 CCCC(C)NCCC(F)C(=O)O ac9ee341d3f9c456a8a4cb588a15446e [0,1,0,0,0,1|1,0,1]=4 3233 B12R0.279 CCCC(C)NCCC(O)C(=O)O f9d2b450325f47e834c18135021aded6 [0,1,0,0,0,1|1,0,1]=4 3234 B12R0.279 CCCC(C)NCC[C@H](O)C(=O)O 03887888e492530519509a9d24d9e52b [0,1,0,0,0,1|1,0,1]=4 3235 B12R0.279 CCCC(O)CNCC(C)C(=O)O 142b9254cbc6d4e5c08e5a28c24baed6 [0,1,0,0,0,1|0,0,2]=4 3236 B12R0.279 CCCC(O)CNCC(O)C(=O)O 3dcce5c736e91155f4db6cf38125eb67 [0,1,0,0,0,1|0,0,2]=4 3237 B12R0.279 CCCC(O)CNC[C@H](O)C(=O)O 1f92f8e1fd59546340bede6176968edd [0,1,0,0,0,1|0,0,2]=4 3238 B12R0.279 CCCC(S)CCOC(C)C(=O)O b302e82547416e108389561e9c20b40c [0,1,0,0,0,1|0,1,1]=4 3239 B12R0.279 CCCC(S)CCOC(F)C(=O)O ae81aa3dfbe41436bc5a8dc68c7a0bde [0,1,0,0,0,1|0,1,1]=4 3240 B12R0.279 CCCC(S)CCO[C@@H](C)C(=O)O 755f6e38b191c55839312277f3c7bac3 [0,1,0,0,0,1|0,1,1]=4 3241 B12R0.279 CCCC(S)CCO[C@@H](F)C(=O)O 150c43e6b28b5d7514587140048fd8c0 [0,1,0,0,0,1|0,1,1]=4 3242 B12R0.279 CCCC(S)CCO[C@H](C)C(=O)O 920f6eb80d9ac2766da037f903706fa2 [0,1,0,0,0,1|0,1,1]=4 3243 B12R0.279 CCCN(C)CCCC(C)C(=O)O 9454a99b5312102c9597f2c61a205b95 [0,1,0,0,0,1|2,0,0]=4 3244 B12R0.279 CCNC(=O)CCNC(C)C(=O)N ed53a5e89fcec091e8f2c6b0ef8dcf0e [0,1,0,0,0,1|2,0,0]=4 3245 B12R0.279 CCNC(=O)CCNC(C)C(=O)O d9e93658598029d94ca6722922e461bc [0,1,0,0,0,1|1,0,0]=3 3246 B12R0.279 CCNC(=O)CCNC(O)C(=O)O c429df02dbb0d9dba9e995428c01636e [0,1,0,0,0,1|1,0,0]=3 3247 B12R0.279 CCNC(=O)CCN[C@@H](C)C(=O)N d61a04e07a771eaa4543f7bb6366bf09 [0,1,0,0,0,1|2,0,0]=4 3248 B12R0.279 CCNC(=O)CCN[C@@H](C)C(=O)O 40798072f0c1242ac729446204f764c8 [0,1,0,0,0,1|1,0,0]=3 3249 B12R0.279 CCNC(=O)CCN[C@H](C)C(=O)N 1b6ff63019b177753f2f2ece4d50d9f2 [0,1,0,0,0,1|2,0,0]=4 3250 B12R0.279 CCNC(=O)CCN[C@H](C)C(=O)O 1dd2de444488296893429e5afc119333 [0,1,0,0,0,1|1,0,0]=3 3251 B12R0.279 CCNC(=O)CCOC(C)C(=O)C de3863d44237ca288e674ef81378d866 [0,1,0,0,0,1|2,0,0]=4 3252 B12R0.279 CCNC(=O)CCOC(C)C(=O)N a7b267ef37499a900c921c151207c4c0 [0,1,0,0,0,1|2,0,0]=4 3253 B12R0.279 CCNC(=O)CCOC(C)C(=O)O 6e33cb38f4ccb592fba76350e7f30863 [0,1,0,0,0,1|1,0,0]=3 3254 B12R0.279 CCNC(=O)CCO[C@@H](C)C(=O)N f866937ecc2f4d6d79d8d11e8f374397 [0,1,0,0,0,1|2,0,0]=4 3255 B12R0.279 CCNC(=O)CCO[C@@H](C)C(=O)O fde24047172dea3a7cfd21da5af81f69 [0,1,0,0,0,1|1,0,0]=3 3256 B12R0.279 CCNC(=O)CCO[C@H](C)C(=O)N 4219514b4175a4d83d377d7a8232b50a [0,1,0,0,0,1|2,0,0]=4 3257 B12R0.279 CCNC(=O)CCO[C@H](C)C(=O)O 75ac3948a77e3ca62281ffd2ee33f9b8 [0,1,0,0,0,1|1,0,0]=3 3258 B12R0.279 CCNC(=O)CNCC(=O)C(=O)O 9569bd242a97b2561e70b04ed4e2f02e [0,1,0,0,0,1|1,0,1]=4 3259 B12R0.279 CCNC(=O)CNCC(C)C(=O)O fbdf253d9c0116e41276b9d666cbbebc [0,1,0,0,0,1|1,0,0]=3 3260 B12R0.279 CCNC(=O)CNCC(F)C(=O)O caab16ca6140fd1b7e26e95cff2fe152 [0,1,0,0,0,1|1,0,0]=3 3261 B12R0.279 CCNC(=O)CNCC(O)C(=O)O 3fc2bc1152093f89ed2d3025b2f55dfc [0,1,0,0,0,1|1,0,0]=3 3262 B12R0.279 CCNC(=O)CNC[C@@H](C)C(=O)O 7c12477380642310afac52d7c91b3263 [0,1,0,0,0,1|1,0,0]=3 3263 B12R0.279 CCNC(=O)CNC[C@@H](O)C(=O)O 29497de9597d4eab678a62985f1cacc0 [0,1,0,0,0,1|1,0,0]=3 3264 B12R0.279 CCNC(=O)CNC[C@H](C)C(=O)O 1f5483dcea1729e633c2d0199d25ba11 [0,1,0,0,0,1|1,0,0]=3 3265 B12R0.279 CCNC(=O)CNC[C@H](O)C(=O)O 5318ce5f984f9ba7ca85a9b9e50ce5fa [0,1,0,0,0,1|1,0,0]=3 3266 B12R0.279 CCNC(=O)COCC(C)C(=O)C 8ef3d1737e3d7bd0bc279d217b343ad8 [0,1,0,0,0,1|2,0,0]=4 3267 B12R0.279 CCNC(=O)COCC(C)C(=O)O d6937cb6c34ae001b93fd98a84c20f3e [0,1,0,0,0,1|1,0,0]=3 3268 B12R0.279 CCNC(=O)COC[C@@H](C)C(=O)O 55d91e163f1803c25c8f6e48704bb892 [0,1,0,0,0,1|1,0,0]=3 3269 B12R0.279 CCNC(=O)COC[C@H](C)C(=O)O 8b99f5c3706a3c5b98bb6a1f1d128b38 [0,1,0,0,0,1|1,0,0]=3 3270 B12R0.279 CCOC(=O)CCNC(C)C(=O)C 7ec43ab4274ea4bb4b927ccccc985aba [0,1,0,0,0,1|2,0,0]=4 3271 B12R0.279 CCOC(=O)CCNC(C)C(=O)N fec5c906df60c3dbee6d938f9af9b410 [0,1,0,0,0,1|2,0,0]=4 3272 B12R0.279 CCOC(=O)CCNC(C)C(=O)O 3c954322ab1395523614b3254eb7d5ee [0,1,0,0,0,1|1,0,0]=3 3273 B12R0.279 CCOC(=O)CCNC(O)C(=O)O f884c62a43e39830091f41adbaa378ed [0,1,0,0,0,1|1,0,0]=3 3274 B12R0.279 CCOC(=O)CCN[C@@H](C)C(=O)N 6e72523a46023e14c377866aa84bb510 [0,1,0,0,0,1|2,0,0]=4 3275 B12R0.279 CCOC(=O)CCN[C@@H](C)C(=O)O e9a86f5b327ada936b378f42602f9066 [0,1,0,0,0,1|1,0,0]=3 3276 B12R0.279 CCOC(=O)CCN[C@H](C)C(=O)N 9313c2766534aa36c8cb443c4a09967b [0,1,0,0,0,1|2,0,0]=4 3277 B12R0.279 CCOC(=O)CCN[C@H](C)C(=O)O a6dcec7629df2fa2874af1355fadbde9 [0,1,0,0,0,1|1,0,0]=3 3278 B12R0.279 CCOC(=O)CCOC(C)C(=O)C 921fcea20d6717c995c81831ac137027 [0,1,0,0,0,1|2,0,0]=4 3279 B12R0.279 CCOC(=O)CCOC(C)C(=O)N a60ffe5a37f514c15c2a43bf1f06f589 [0,1,0,0,0,1|2,0,0]=4 3280 B12R0.279 CCOC(=O)CCOC(F)C(=O)N ee97945ca8657fdbdfd155a087dd2aa9 [0,1,0,0,0,1|2,0,0]=4 3281 B12R0.279 CCOC(=O)CCO[C@@H](C)C(=O)N f8abdd46b7f0b89ed83d5fc99c029c36 [0,1,0,0,0,1|2,0,0]=4 3282 B12R0.279 CCOC(=O)CCO[C@H](C)C(=O)N a609fd8970cac99401722319a64ad2a4 [0,1,0,0,0,1|2,0,0]=4 3283 B12R0.279 CCOC(=O)CNCC(=O)C(=O)O 221fd4dcd7079386c2fa499d5b79c26c [0,1,0,0,0,1|1,0,1]=4 3284 B12R0.279 CCOC(=O)CNCC(C)C(=O)O 59edc7e38efa8a7dc917d5ceedc03b85 [0,1,0,0,0,1|1,0,0]=3 3285 B12R0.279 CCOC(=O)CNCC(F)C(=O)O d1776a0f889cf4dcc28965e7514e0b65 [0,1,0,0,0,1|1,0,0]=3 3286 B12R0.279 CCOC(=O)CNCC(O)C(=O)O 60f7a721a0a09ec7e2997bbfcc98177b [0,1,0,0,0,1|1,0,0]=3 3287 B12R0.279 CCOC(=O)CNC[C@@H](C)C(=O)O 074f0635d45ce35b9f8e6def54b50430 [0,1,0,0,0,1|1,0,0]=3 3288 B12R0.279 CCOC(=O)CNC[C@@H](O)C(=O)O 4311ca6fa240c9b842d45134ea53099b [0,1,0,0,0,1|1,0,0]=3 3289 B12R0.279 CCOC(=O)CNC[C@H](C)C(=O)O 279a38b6c228b6fde4ebbae2073dab6c [0,1,0,0,0,1|1,0,0]=3 3290 B12R0.279 CCOC(=O)CNC[C@H](O)C(=O)O 3dd4d91e35ac4e15b6315e4cdf9956a2 [0,1,0,0,0,1|1,0,0]=3 3291 B12R0.279 CCOC(=O)COCC(C)C(=O)C e87fb41e6d77d12365f6221e08491fa8 [0,1,0,0,0,1|2,0,0]=4 3292 B12R0.279 CCOC(=O)COCC(C)C(=O)O e399af92c9b89657fd65cb0aac8a5cf8 [0,1,0,0,0,1|1,0,0]=3 3293 B12R0.279 CCOC(=O)COC[C@@H](C)C(=O)O 9b0d7647d5eaa04441257873b3928a1f [0,1,0,0,0,1|1,0,0]=3 3294 B12R0.279 CCOC(=O)COC[C@H](C)C(=O)O fc41d400f22100302787fe9a1dab310d [0,1,0,0,0,1|1,0,0]=3 3295 B12R0.279 CCOC(=O)OCNC(O)C(=O)O fedc93f5dd269cccbae5c0db6bf71db0 [0,1,0,0,0,1|2,0,0]=4 3296 B12R0.279 CCSC(=O)OCNC(C)C(=O)O fb31bbad8503c0432d4845f4d61bea05 [0,1,0,0,0,1|2,0,0]=4 3297 B12R0.279 CCSC(=O)OCNC(O)C(=O)O 2e87e8af1fdd374f9f1109b01d4a63dc [0,1,0,0,0,1|2,0,0]=4 3298 B12R0.279 CCSC(=O)OCN[C@@H](C)C(=O)O 0e75a117228f09fb058b12a9fbe44473 [0,1,0,0,0,1|2,0,0]=4 3299 B12R0.279 CCSC(=O)OCN[C@H](C)C(=O)O ca2fbe64ad2a524069af7a7a98e6aea3 [0,1,0,0,0,1|2,0,0]=4 3300 B12R0.279 CCSC(=O)OCOC(C)C(=O)O 917cb3cbd007b7aec0aa8dcde7be9b00 [0,1,0,0,0,1|2,0,0]=4 3301 B12R0.279 CCSC(=O)OCO[C@@H](C)C(=O)O d9a9753c0355d8d04d0ef308c0a511aa [0,1,0,0,0,1|2,0,0]=4 3302 B12R0.279 CCSC(=O)OCO[C@H](C)C(=O)O 3c05eae82074a281ff1d81bb89d7276e [0,1,0,0,0,1|2,0,0]=4 3303 B12R0.279 C[C@@H](CNCC(=O)NCO)C(=O)O 71228f8be0f963f6f455801e29182b78 [0,1,0,0,0,1|2,0,0]=4 3304 B12R0.279 C[C@H](CNCC(=O)NCO)C(=O)O 276b601fe10c2bdd2932597e93afdaed [0,1,0,0,0,1|2,0,0]=4 3305 B12R0.279 O=C(CNCC(F)C(=O)O)NCO eec20d52898712455849ffce3ea833c7 [0,1,0,0,0,1|2,0,0]=4 3306 B12R0.279 O=C(CNCC(O)C(=O)O)NCO 98773873299b0ca36871d4992b7e8050 [0,1,0,0,0,1|2,0,0]=4 3307 B12R0.279 O=C(CNC[C@@H](O)C(=O)O)NCO 8def137ca694956be239d17e2cbb280b [0,1,0,0,0,1|2,0,0]=4 3308 B12R0.279 O=C(CNC[C@H](O)C(=O)O)NCO 3a3c280cd875837ea2905ef0c03e6e5c [0,1,0,0,0,1|2,0,0]=4 3309 B12R0.283 CCCC(=O)CC(=O)NCC(=O)C c407233c191fd75581c915317946c8d7 [0,1,0,0,0,1|1,0,1]=4 3310 B12R0.283 CCCC(=O)CC(=O)NCC(=O)N 1c9b3b8a3c91013a3423f6e0ac9bf1db [0,1,0,0,0,1|1,0,1]=4 3311 B12R0.283 CCCC(=O)CN(C)CCC(=O)N 03e08c24dbbb4269477f9782b1a367c1 [0,1,0,0,0,1|1,0,0]=3 3312 B12R0.283 CCCC(=O)CN(C)CCC(=O)O 8c87cea99827a0129a328a6d3ea6359d [0,1,0,0,0,1|0,0,0]=2 3313 B12R0.283 CCCC(=O)CN(C)CCC(C)O 3c9850533d248e52cbba3c2b92fe3333 [0,1,0,0,0,1|1,0,1]=4 3314 B12R0.283 CCCC(=S)OC(C)CCC(=O)O 22de11f8947bb5bc7638c1eaa2ca9019 [0,1,0,0,0,1|0,1,0]=3 3315 B12R0.283 CCCC(C)CC(C)OCC(=O)O ca784fb0853e80bf6dad131d5984df5d [0,1,0,0,0,1|1,0,1]=4 3316 B12R0.283 CCCC(C)CN(C)CCC(=O)O 543efa217c5d9da6c3772b97043ebb94 [0,1,0,0,0,1|1,0,1]=4 3317 B12R0.283 CCCC(C)OC(C)CCC(=O)O ceac9feea8c258b64e81ff69c532df12 [0,1,0,0,0,1|1,0,1]=4 3318 B12R0.283 CCCN(C)CC(=O)CCC(=O)O 9fdcef987ccbdc8240405fb2b84dacd8 [0,1,0,0,0,1|2,0,0]=4 3319 B12R0.283 CCNC(=O)CN(C)CCC(=O)N 6e10bc8bdd41a9a17e220a81ab9fa8b6 [0,1,0,0,0,1|2,0,0]=4 3320 B12R0.283 CCNC(=O)CN(C)CCC(=O)O 16345e8f8940a45976cbb79cdd5cfac3 [0,1,0,0,0,1|1,0,0]=3 3321 B12R0.283 CCOC(=O)CC(C)NCC(=O)N 27ec801a22e791d8586a7e16796978c1 [0,1,0,0,0,1|2,0,0]=4 3322 B12R0.283 CCOC(=O)CC(C)NCC(=O)O 571c76008a8bad0f5ef8fb11f59759fb [0,1,0,0,0,1|1,0,0]=3 3323 B12R0.283 CCOC(=O)CC(C)OCC(=O)N ffb287fe20bcc28194adc358222237f6 [0,1,0,0,0,1|2,0,0]=4 3324 B12R0.283 CCOC(=O)CC(C)OCC(=O)O d8942add4a4e5f755ef1c73a0aa95016 [0,1,0,0,0,1|1,0,0]=3 3325 B12R0.283 CCOC(=O)CN(C)CCC(=O)N 2488144cfbb4d561b435e85633075d89 [0,1,0,0,0,1|2,0,0]=4 3326 B12R0.283 CCOC(=O)CN(C)CCC(=O)O ae6f0234dc6106942e697a22b050b9d4 [0,1,0,0,0,1|1,0,0]=3 3327 B12R0.283 CCOC(=O)C[C@@H](C)OCC(=O)N a6b1553d4a6991a599dede66e6daaad0 [0,1,0,0,0,1|2,0,0]=4 3328 B12R0.283 CCOC(=O)C[C@@H](C)OCC(=O)O 14510f3a80164c2772bbd8e72bd03d45 [0,1,0,0,0,1|1,0,0]=3 3329 B12R0.283 CCOC(=O)C[C@H](C)OCC(=O)N 2d87daa02c9b38c19ae40e4f01a38527 [0,1,0,0,0,1|2,0,0]=4 3330 B12R0.283 CCOC(=O)C[C@H](C)OCC(=O)O 6ec25a9c0c073d2b7ed4cdc83267549c [0,1,0,0,0,1|1,0,0]=3 3331 B12R0.283 CCOC(=O)OC(C)OCC(=O)O 0cd4821c0b589cc208789f4b7c7ee399 [0,1,0,0,0,1|2,0,0]=4 3332 B12R0.283 CN(CCC(=O)O)CC(=O)NCO fa34ac4428357e3901515a705a03060e [0,1,0,0,0,1|2,0,0]=4 3333 B12R0.283 COCC(=O)CN(C)CCC(=O)N c26c8d728aa36b74f0d30cfeae1739f2 [0,1,0,0,0,1|2,0,0]=4 3334 B12R0.2 CC(CC(=O)O)NC(=O)NCCF 7983d7ca99acb6f962c89d7a5e9f1055 [0,2,0,0,0,0|2,0,0]=4 3335 B12R0.2 CC(CC(=O)O)NC(=O)NCCN 4ece2424438c4f65784232d8b69db110 [0,2,0,0,0,0|2,0,0]=4 3336 B12R0.2 CC(CC(=O)O)NC(=O)NCCO 9be10b96e820c8bb4dedf2216edbfda8 [0,2,0,0,0,0|2,0,0]=4 3337 B12R0.2 CC(CC(=O)O)NC(=O)NCCS 99ccc9b2fe00c3a0df4cf2ee905fce3d [0,2,0,0,0,0|2,0,0]=4 3338 B12R0.2 CCCNC(=O)CC(C)NC(=O)C e92ea1749072111c9d5563424a598d15 [0,2,0,0,0,0|2,0,0]=4 3339 B12R0.2 CCCNC(=O)CN(C)CC(=O)N 163139c97e87ccc31790a1c23334594a [0,2,0,0,0,0|2,0,0]=4 3340 B12R0.2 CCCNC(=O)CN(C)CC(=O)O 0fed613fd57a8f7cabacc894ae79cb02 [0,2,0,0,0,0|1,0,0]=3 3341 B12R0.2 CCCNC(=O)NC(C)CC(=O)O 014dc832e7271e9dcb5aabc27ea11826 [0,2,0,0,0,0|1,0,0]=3 3342 B12R0.2 CCCNC(=O)N[C@@H](C)CC(=O)O 96f4fc4ace5ffbfdd6f64156dc0fb1d3 [0,2,0,0,0,0|1,0,0]=3 3343 B12R0.2 CCCNC(=O)N[C@H](C)CC(=O)O 5cf3333965d57c242e56201468ba6920 [0,2,0,0,0,0|1,0,0]=3 3344 B12R0.2 CCCNC(=S)NC(C)CC(=O)O 5f0f49a128953136c71ca79f5769a8a7 [0,2,0,0,0,0|1,1,0]=4 3345 B12R0.2 CCCNC(=S)N[C@@H](C)CC(=O)O 9973287d1810de5e9c9138e6f781c09d [0,2,0,0,0,0|1,1,0]=4 3346 B12R0.2 CCCNC(=S)N[C@H](C)CC(=O)O 401a92c9a9fb0d70b3e9c6f1f5182c33 [0,2,0,0,0,0|1,1,0]=4 3347 B12R0.2 CCCOC(=O)CN(C)CC(=O)N 3d4e6243d606aed7b6733abe62997e17 [0,2,0,0,0,0|2,0,0]=4 3348 B12R0.2 CCCOC(=O)CN(C)CC(=O)O 5b0276e811264cbbc1772d163a1f9247 [0,2,0,0,0,0|1,0,0]=3 3349 B12R0.2 CSCCC(=O)CN(C)CC(=O)N c8fb7a46daa4225d18c9ec68c87f5e59 [0,2,0,0,0,0|2,0,0]=4 3350 B12R0.2 CSCCC(=O)CN(C)CC(=O)O 3f86dd2dc4fb85dd9bd12ec54289dc2b [0,2,0,0,0,0|1,0,0]=3 3351 B12R0.2 C[C@@H](CC(=O)O)NC(=O)NCCF 945a1ca28e31cbaa07260aa14feda274 [0,2,0,0,0,0|2,0,0]=4 3352 B12R0.2 C[C@@H](CC(=O)O)NC(=O)NCCN 246dbfcf1e2eb5742915333be9d66ad1 [0,2,0,0,0,0|2,0,0]=4 3353 B12R0.2 C[C@@H](CC(=O)O)NC(=O)NCCO d2f1827bf17f14825f2a6bb79ffce277 [0,2,0,0,0,0|2,0,0]=4 3354 B12R0.2 C[C@@H](CC(=O)O)NC(=O)NCCS d930eb4c0b076131f6302147c62c2335 [0,2,0,0,0,0|2,0,0]=4 3355 B12R0.2 C[C@H](CC(=O)O)NC(=O)NCCF fef7d8f5890d33cd52699b8542593ea2 [0,2,0,0,0,0|2,0,0]=4 3356 B12R0.2 C[C@H](CC(=O)O)NC(=O)NCCN e2871e23bf9c596d00bd6e7cdf697491 [0,2,0,0,0,0|2,0,0]=4 3357 B12R0.2 C[C@H](CC(=O)O)NC(=O)NCCO 771454798ddae1eb2211ed3a459f16b7 [0,2,0,0,0,0|2,0,0]=4 3358 B12R0.2 C[C@H](CC(=O)O)NC(=O)NCCS ef4257e5948b191762ef7e1f0b489ea1 [0,2,0,0,0,0|2,0,0]=4 3359 B12R0.3 CC(C)CC(=O)CN(C)CC(=O)N 83690a88ff9c17bce4a68ee334559f47 [0,2,0,0,0,0|2,0,0]=4 3360 B12R0.3 CC(C)CC(=O)CN(C)CC(=O)O 705d3afdb6ce77ec2c59b12fbc241030 [0,2,0,0,0,0|1,0,0]=3 3361 B12R0.3 CC(C)NC(=O)CN(C)CC(=O)O b3c1acd2e043192ceb15f176fe528d64 [0,2,0,0,0,0|2,0,0]=4 3362 B12R0.3 CC(C)OC(=O)CN(C)CC(=O)O c0217405b74b89acafc57a2e536b5445 [0,2,0,0,0,0|2,0,0]=4 3363 B12R0.18 CCNC(=O)CN(CC)CC(=O)O cc399eddb0eb9889088e49297e0fe568 [0,2,0,0,0,0|2,0,0]=4 3364 B12R0.18 CCOC(=O)CN(CC)CC(=O)O 002fe3d64458b9ba0be43a5955fe3b03 [0,2,0,0,0,0|2,0,0]=4 3365 B12R0.20 CCNC(=O)CN(C)C(C)C(=O)O 9a470c13bce596b8968fcf270be4cd87 [0,2,0,0,0,0|2,0,0]=4 3366 B12R0.20 CCNC(=O)CN(C)[C@@H](C)C(=O)O 1affeb8016d2312aaafacb7bf59494de [0,2,0,0,0,0|2,0,0]=4 3367 B12R0.20 CCNC(=O)CN(C)[C@H](C)C(=O)O fce817a1f1a342c42edc4dd458a1f127 [0,2,0,0,0,0|2,0,0]=4 3368 B12R0.68 CCCC(=O)CN(C)CC(=O)NC 2863f31e820f75da9849b8b8915c2ff9 [0,2,0,0,0,0|2,0,0]=4 3369 B12R0.68 CCCC(=O)CN(C)CC(=O)OC 941d49846f4af8314db7d3bfff9bd483 [0,2,0,0,0,0|1,0,0]=3 3370 B12R0.68 CCCC(=O)NC(C)CC(=O)OC 36389b1e9adf97e1c2ed317ecc12a41a [0,2,0,0,0,0|1,0,0]=3 3371 B12R0.68 CCCC(=O)N[C@@H](C)CC(=O)OC f0cb4ca6e07a2920047b3b56347b2d91 [0,2,0,0,0,0|1,0,0]=3 3372 B12R0.68 CCCC(=O)N[C@H](C)CC(=O)OC 29a458a02d34e93f0daadc4fe09fc30f [0,2,0,0,0,0|1,0,0]=3 3373 B12R0.68 CCCC(=S)OC(C)CC(=O)OC ee0d8cea84cf7ce65f380ac758741730 [0,2,0,0,0,0|1,1,0]=4 3374 B12R0.68 CCCC(=S)O[C@@H](C)CC(=O)OC f77a2bb6af566e4b485760977500473c [0,2,0,0,0,0|1,1,0]=4 3375 B12R0.68 CCCN(C)CC(C)CC(=O)OC 25b5494f2f9b4a0b2ef5b1b70593bb50 [0,2,0,0,0,0|2,0,0]=4 3376 B12R0.68 CCCN(C)CC(O)CC(=O)OC 7b914d441a660b9f65ddb652502bd1d7 [0,2,0,0,0,0|2,0,0]=4 3377 B12R0.68 CCCN(C)C[C@@H](O)CC(=O)OC a9c646ccad3b2a6089e0c305cf191500 [0,2,0,0,0,0|2,0,0]=4 3378 B12R0.68 CCCN(C)C[C@H](O)CC(=O)OC 79c9ac184016c80717c5c0a59ccbfc6f [0,2,0,0,0,0|2,0,0]=4 3379 B12R0.68 CCNC(=O)CN(C)CC(=O)OC 9606923d7d7f32a22a595f1b04e0e266 [0,2,0,0,0,0|2,0,0]=4 3380 B12R0.68 CCOC(=O)CC(C)NC(=O)CO 8414cdc13f843a82188f21206abad0e2 [0,2,0,0,0,0|2,0,0]=4 3381 B12R0.68 CCOC(=O)CN(C)CC(=O)OC 01407da98bda904e3256abc7868398a0 [0,2,0,0,0,0|2,0,0]=4 3382 B12R0.68 COC(=O)CC(C)NC(=O)CCF 0cee178eb280aee57c9c49d1158d296c [0,2,0,0,0,0|2,0,0]=4 3383 B12R0.68 COC(=O)CC(C)NC(=O)CCO de14a3e29a9c0fd10faceb5ce09c4b9f [0,2,0,0,0,0|2,0,0]=4 3384 B12R0.68 COC(=O)CC(C)NC(=O)CCS 09929fec5c0954de372865aebc7be0d7 [0,2,0,0,0,0|2,0,0]=4 3385 B12R0.68 COC(=O)CC(C)NC(=O)CSC 3e44e2a4ef99cd71cac9a22aca6945d5 [0,2,0,0,0,0|2,0,0]=4 3386 B12R0.68 COC(=O)C[C@@H](C)NC(=O)CCF a12a1c81d5e1cbd428cfb49398d09068 [0,2,0,0,0,0|2,0,0]=4 3387 B12R0.68 COC(=O)C[C@@H](C)NC(=O)CCO 8bfa8d364ec7ba577528fb310c95a735 [0,2,0,0,0,0|2,0,0]=4 3388 B12R0.68 COC(=O)C[C@@H](C)NC(=O)CCS a16c9a4570d2109d27539b7d76f2f59a [0,2,0,0,0,0|2,0,0]=4 3389 B12R0.68 COC(=O)C[C@@H](C)NC(=O)CSC 6f76ac17bbd2df3e31dbcc1334855a72 [0,2,0,0,0,0|2,0,0]=4 3390 B12R0.68 COC(=O)C[C@H](C)NC(=O)CCF 1b4fbb32b55a21699f142c02a56d1871 [0,2,0,0,0,0|2,0,0]=4 3391 B12R0.68 COC(=O)C[C@H](C)NC(=O)CCO d52455377cb89bb3029ada66051f6119 [0,2,0,0,0,0|2,0,0]=4 3392 B12R0.68 COC(=O)C[C@H](C)NC(=O)CCS 1e1a83da1e1f71e229203e8a16f078d9 [0,2,0,0,0,0|2,0,0]=4 3393 B12R0.68 COC(=O)C[C@H](C)NC(=O)CSC cd15c3712c72f32466b2e0ddfc50171e [0,2,0,0,0,0|2,0,0]=4 3394 B12R0.68 COCC(=O)CN(C)CC(=O)OC 0a8520d59a5d889ae1387f22a2cb51d0 [0,2,0,0,0,0|2,0,0]=4 3395 B12R0.68 COCC(=O)NC(C)CC(=O)OC 7aa9f2ad8bc7d5bebb308bddfbb59500 [0,2,0,0,0,0|2,0,0]=4 3396 B12R0.68 COCC(=O)N[C@@H](C)CC(=O)OC 20ff1e9683d1dc6101f92dcafcb7c52a [0,2,0,0,0,0|2,0,0]=4 3397 B12R0.68 COCC(=O)N[C@H](C)CC(=O)OC 1734ce78280a686967bd0107809aad3a [0,2,0,0,0,0|2,0,0]=4 3398 B12R0.191 CCNC(=O)C(C)N(C)CC(=O)O b6e452141d018e3211f923305f5d851f [0,2,0,0,0,0|2,0,0]=4 3399 B12R0.191 CCOC(=O)C(F)N(C)CC(=O)O 65fc61db7678d28b9090d717a440ea34 [0,2,0,0,0,0|2,0,0]=4 3400 B12R0.563 CCC(C)C(=O)CN(C)CC(=O)N 1619614b082d5c49530b7506a87dfe3d [0,2,0,0,0,0|2,0,0]=4 3401 B12R0.563 CCC(C)C(=O)CN(C)CC(=O)O 43c0fd2381f0f477af41e8fc77d84ad7 [0,2,0,0,0,0|1,0,0]=3 3402 B12R0.563 CCN(C)C(=O)CN(C)CC(=O)O 8ed581017f54dab6c5ca42b98d8fe2f2 [0,2,0,0,0,0|2,0,0]=4 3403 B12R0.563 CCN(C)C(=O)NC(C)CC(=O)O d0f79cfcc0b6116746b7784ce7b1c93e [0,2,0,0,0,0|2,0,0]=4 3404 B12R0.563 CCN(C)C(=O)N[C@@H](C)CC(=O)O 46df0ab40e48a7e475663827c4bb67bf [0,2,0,0,0,0|2,0,0]=4 3405 B12R0.563 CCN(C)C(=O)N[C@H](C)CC(=O)O 8561efe3b56a9c99fd5c310fece2da5a [0,2,0,0,0,0|2,0,0]=4 3406 B12R0.744 CCCC(=O)NC(C)(C)CC(=O)C 4de3a4b5a9fd7e683a2236245a54e81d [0,2,0,0,0,0|2,0,0]=4 3407 B12R0.744 CCCC(=O)NC(C)(C)CC(=O)N 9884fb0c317e6b14b90b5495f031a937 [0,2,0,0,0,0|2,0,0]=4 3408 B12R0.66 CC(C)CC(=O)CNCS(=O)(=O)O 1a91174a3a7907de61ab1c1bfacca650 [0,2,0,0,0,0|2,0,0]=4 3409 B12R0.66 CC(C)CC(=O)NCCS(=O)(=O)O 6afd36a0f559875a9072dac4639f1b50 [0,2,0,0,0,0|2,0,0]=4 3410 B12R0.66 CC(O)CC(=O)NCCS(=O)(=O)O 8c60266bee480ccbd72be3dfac72fc98 [0,2,0,0,0,0|2,0,0]=4 3411 B12R0.66 C[C@@H](O)CC(=O)NCCS(=O)(=O)O e30bea5fada1fa5bc402140c43792a97 [0,2,0,0,0,0|2,0,0]=4 3412 B12R0.66 C[C@H](O)CC(=O)NCCS(=O)(=O)O 21283eb0b195fc04f6ca1009cc410b17 [0,2,0,0,0,0|2,0,0]=4 3413 B12R0.140 CC(=O)CCCC(=O)NC(C)(C)C 6f18ac1e7d423eec43240ddad30f66d7 [0,2,0,0,0,0|2,0,0]=4 3414 B12R0.140 CC(C)(Br)CC(=O)NCCC(=O)N 4b8aea7ce45001d452e37cd7248d8389 [0,2,0,0,0,0|2,0,0]=4 3415 B12R0.140 CC(C)(Br)CC(=O)NCCS(=O)O 8c76af46a6be6369c6204f10981f936a [0,2,0,0,0,0|2,0,0]=4 3416 B12R0.140 CC(C)(C)CC(=O)NCCC(=O)N 3d0e73be64e7044c8938dfdd16bd6731 [0,2,0,0,0,0|2,0,0]=4 3417 B12R0.140 CC(C)(C)CC(=O)NCCS(=O)O 96a8a64187df75744061a99fac9bf8c2 [0,2,0,0,0,0|2,0,0]=4 3418 B12R0.140 CC(C)(C)NC(=O)CCCC(=O)N 7813e56d406e92810372615001adac3b [0,2,0,0,0,0|2,0,0]=4 3419 B12R0.140 CC(C)(C)NC(=O)CNCC(=O)O de3381266aa500ee345da3dead3ee502 [0,2,0,0,0,0|2,0,0]=4 3420 B12R0.140 CC(C)(C)NC(=O)NCCC(=O)O a17cd62ac1c781f05b48b980737b7865 [0,2,0,0,0,0|2,0,0]=4 3421 B12R0.140 CC(C)(C)OC(=O)CNCC(=O)O 779535c2213ae290a96150d5121a2d8d [0,2,0,0,0,0|2,0,0]=4 3422 B12R0.140 CC(C)(C)OC(=O)COCC(=O)O 0c9a9207f964a1864493a2499958d0aa [0,2,0,0,0,0|2,0,0]=4 3423 B12R0.140 CC(C)(Cl)CC(=O)NCCC(=O)N 6b86cfffa9f1ee2ebd46ca8216959611 [0,2,0,0,0,0|2,0,0]=4 3424 B12R0.140 CC(C)(Cl)CC(=O)NCCS(=O)O d5393b3f9b540048b008198c9a59e1f0 [0,2,0,0,0,0|2,0,0]=4 3425 B12R0.140 CC(C)(O)CC(=O)NCCC(=O)N 6c15624fbb4c7c7c807388630450391a [0,2,0,0,0,0|2,0,0]=4 3426 B12R0.140 CC(C)(O)CC(=O)NCCS(=O)O 13e6c120ad5e63bc6a52086400c27b33 [0,2,0,0,0,0|2,0,0]=4 3427 B12R0.140 CC(F)(F)CC(=O)NCCC(=O)N 953fecff68861f660ca465d0b3656d91 [0,2,0,0,0,0|2,0,0]=4 3428 B12R0.140 CC(F)(F)CC(=O)NCCS(=O)O 14d8a4fd04205825c89495092a870e76 [0,2,0,0,0,0|2,0,0]=4 3429 B12R0.140 CN(CCCC(=O)O)CC(C)(C)C 3ad55e072e76bcf2017ada9ff6376b57 [0,2,0,0,0,0|2,0,0]=4 3430 B12R0.140 CN(CCCC(=O)O)CC(C)(C)F 2ba874130384c2d00cb370d7d5f1e310 [0,2,0,0,0,0|2,0,0]=4 3431 B12R0.140 CN(CCCC(=O)O)CC(C)(C)O 58e3ea253b50a069586eb3681d43da9a [0,2,0,0,0,0|2,0,0]=4 3432 B12R0.140 CN(CCCC(=O)O)CC(C)(F)F 4420a8d3d7e19a21e00ce05f7e79e543 [0,2,0,0,0,0|2,0,0]=4 3433 B12R0.240 C#CC(C)NC(=O)CCCC(=O)C 314460fd2cc512260a5342dee664113d [0,2,0,0,0,0|2,0,0]=4 3434 B12R0.240 C#CC(C)NC(=O)CCCC(=O)N c17a2975420dc006357b8914bc4b63aa [0,2,0,0,0,0|2,0,0]=4 3435 B12R0.240 C#CC(C)NC(=O)NCCC(=O)O e8fad7fc4433ef63ad7a83f2ca6c0022 [0,2,0,0,0,0|2,0,0]=4 3436 B12R0.240 C#C[C@@H](C)NC(=O)CCCC(=O)C df14426567ed5ca622518ba908c58ec7 [0,2,0,0,0,0|2,0,0]=4 3437 B12R0.240 C#C[C@@H](C)NC(=O)CCCC(=O)N 3e9ce32e499513873f5cb88081e160e8 [0,2,0,0,0,0|2,0,0]=4 3438 B12R0.240 C#C[C@@H](C)NC(=O)NCCC(=O)O 2946fda06f7a1a237c19548b0de61b54 [0,2,0,0,0,0|2,0,0]=4 3439 B12R0.240 C#C[C@H](C)NC(=O)CCCC(=O)C c41a2e0290a11ce4c4056d1634509711 [0,2,0,0,0,0|2,0,0]=4 3440 B12R0.240 C#C[C@H](C)NC(=O)CCCC(=O)N debea36e636cbc78cc331b8bb1560197 [0,2,0,0,0,0|2,0,0]=4 3441 B12R0.240 C#C[C@H](C)NC(=O)NCCC(=O)O f20804afbf3473c28f2c2dddb44e33a8 [0,2,0,0,0,0|2,0,0]=4 3442 B12R0.240 C=C(C)CCCC(=O)NC(C)CC 35a4123c9c80ac7e4c0b151eb3ad6cdd [0,2,0,0,0,0|2,0,0]=4 3443 B12R0.240 C=C(C)CCCC(=O)N[C@@H](C)CC d6c8724e6b49ecc8dc6d8f8415f762f8 [0,2,0,0,0,0|2,0,0]=4 3444 B12R0.240 C=C(C)CCCC(=O)N[C@H](C)CC db6197de01e93c4a7c18ce469598afcb [0,2,0,0,0,0|2,0,0]=4 3445 B12R0.240 C=C(CC)CN(C)CCCC(=O)O 34379464b53df45f06a4dec2b8ae7c56 [0,2,0,0,0,0|2,0,0]=4 3446 B12R0.240 C=CC(C)CC(=O)NCCC(=O)N b9c93fb190fcc99f52edba914a850715 [0,2,0,0,0,0|2,0,0]=4 3447 B12R0.240 C=CC(C)CC(=O)NCCS(=O)O 917faa3a76a9f5a22ced1e0985c12d97 [0,2,0,0,0,0|2,0,0]=4 3448 B12R0.240 C=CC(C)NC(=O)CCCC(=O)C 14c64b4b9250a23e357fa0d3f990db5d [0,2,0,0,0,0|2,0,0]=4 3449 B12R0.240 C=CC(C)NC(=O)CCCC(=O)N da1616191cf25174a2d146263777389b [0,2,0,0,0,0|2,0,0]=4 3450 B12R0.240 C=CC(C)NC(=O)NCCC(=O)O bcd285c893dae84f29c6aadfc1576ae3 [0,2,0,0,0,0|2,0,0]=4 3451 B12R0.240 CC(=O)CCCC(=O)NC(C)C#N 910eb8c94367c4cbdcb771ea818c6417 [0,2,0,0,0,0|2,0,0]=4 3452 B12R0.240 CC(=O)CCCC(=O)NC(C)CO 69634b130459ff153edd24eb729a24de [0,2,0,0,0,0|2,0,0]=4 3453 B12R0.240 CC(=O)CCCC(=O)N[C@@H](C)CO 3637fd535114046ac4ead3cb17c392cb [0,2,0,0,0,0|2,0,0]=4 3454 B12R0.240 CC(=O)CCCC(=O)N[C@H](C)CO fd1e8d733bb254f912789afb0d73aad4 [0,2,0,0,0,0|2,0,0]=4 3455 B12R0.240 CC(C#N)CC(=O)NCCC(=O)N 51a305a4b222158cf7e38d1023b65cf4 [0,2,0,0,0,0|2,0,0]=4 3456 B12R0.240 CC(C#N)CC(=O)NCCS(=O)O 4e3865240b93fdcb8ed16a85867df64f [0,2,0,0,0,0|2,0,0]=4 3457 B12R0.240 CC(C#N)CN(C)CCCC(=O)O 9ab20f2dbc748c8c74323958a87745bc [0,2,0,0,0,0|2,0,0]=4 3458 B12R0.240 CC(C#N)NC(=O)CCCC(=O)N 1a11268bd5d6ec7413690754d6d768d4 [0,2,0,0,0,0|2,0,0]=4 3459 B12R0.240 CC(C#N)NC(=O)NCCC(=O)O 3098489b9bc0c04bf7c382df104d34b6 [0,2,0,0,0,0|2,0,0]=4 3460 B12R0.240 CC(CO)CN(C)CCCC(=O)O 468c1314d1333e7fd96175d33d92455c [0,2,0,0,0,0|2,0,0]=4 3461 B12R0.240 CC(CO)NC(=O)CCCC(=O)N 15aff59fe2a2b176b6b49c377e4df42d [0,2,0,0,0,0|2,0,0]=4 3462 B12R0.240 CC(CO)NC(=O)CNCC(=O)O ea201cbb9024bbd7af4b8ccb5f69d996 [0,2,0,0,0,0|2,0,0]=4 3463 B12R0.240 CC(CO)NC(=O)NCCC(=O)O 2eba4bbc90a6d341ecd210ecadd06872 [0,2,0,0,0,0|2,0,0]=4 3464 B12R0.240 CCC(=O)CN(C)CCCC(=O)O b175dedf4b70649d6ea181c8bdc41296 [0,2,0,0,0,0|2,0,0]=4 3465 B12R0.240 CCC(C)CC(=O)NCCC(=O)N e6d016561d4b30dad76027dc1a456c7a [0,2,0,0,0,0|2,0,0]=4 3466 B12R0.240 CCC(C)CC(=O)NCCS(=O)O 974751886f04114758171c27065ac071 [0,2,0,0,0,0|2,0,0]=4 3467 B12R0.240 CCC(C)CN(C)CCCC(=O)O 4ca1fb499491a0114be214f34a70cc28 [0,2,0,0,0,0|2,0,0]=4 3468 B12R0.240 CCC(C)NC(=O)CCCC(=O)C 88969783bb5751b2d6438d5187fbe00d [0,2,0,0,0,0|1,0,0]=3 3469 B12R0.240 CCC(C)NC(=O)CCCC(=O)N 329ae21a64e2b53dcdd6574cd33e0e96 [0,2,0,0,0,0|1,0,0]=3 3470 B12R0.240 CCC(C)NC(=O)CCC[N+](=O)[O-] ed50ff4b2d845854068849e3bd555773 [0,2,0,0,0,0|1,0,1]=4 3471 B12R0.240 CCC(C)NC(=O)CCNC(=O)C 24989b4018a770c023d1d02c8c1d5433 [0,2,0,0,0,0|2,0,0]=4 3472 B12R0.240 CCC(C)NC(=O)CCNC(=O)N 897bc20bab77e5db42027670b1d85617 [0,2,0,0,0,0|2,0,0]=4 3473 B12R0.240 CCC(C)NC(=O)CCOC(=O)C 77f91e0e07b2c4801d1007084de7fbaf [0,2,0,0,0,0|2,0,0]=4 3474 B12R0.240 CCC(C)NC(=O)CCSC(=O)C 7633fd3153df752d6d4dcac391c5a536 [0,2,0,0,0,0|2,0,0]=4 3475 B12R0.240 CCC(C)NC(=O)CNCC(=O)C a7a724456a20be7136210713321b7e5a [0,2,0,0,0,0|2,0,0]=4 3476 B12R0.240 CCC(C)NC(=O)CNCC(=O)N af6391ae4dd36d8113803b948ef19238 [0,2,0,0,0,0|2,0,0]=4 3477 B12R0.240 CCC(C)NC(=O)CNCC(=O)O e8b9ed25f3b55a9490fa26c8993f3110 [0,2,0,0,0,0|1,0,0]=3 3478 B12R0.240 CCC(C)NC(=O)COCC(=O)C d9a329a1fc964577bf4fd4d6b9e3d8ca [0,2,0,0,0,0|2,0,0]=4 3479 B12R0.240 CCC(C)NC(=O)COCC(=O)N c628a6442990cb373cde950638827777 [0,2,0,0,0,0|2,0,0]=4 3480 B12R0.240 CCC(C)NC(=O)COCC(=O)O 214d95f9b257ee5719fa700373e47d51 [0,2,0,0,0,0|1,0,0]=3 3481 B12R0.240 CCC(C)NC(=O)COCS(=O)O 24ee25102ea1b09b139d02b6be491fe8 [0,2,0,0,0,0|2,0,0]=4 3482 B12R0.240 CCC(C)NC(=O)CSCC(=O)N d295c4e7106b2b061dcc081fc489e397 [0,2,0,0,0,0|2,0,0]=4 3483 B12R0.240 CCC(C)NC(=O)NCCC(=O)N 268f842c7def91dff56d60cbe0d43a82 [0,2,0,0,0,0|2,0,0]=4 3484 B12R0.240 CCC(C)NC(=O)NCCC(=O)O 9538c3368ffbbd72f78c92be97646bad [0,2,0,0,0,0|1,0,0]=3 3485 B12R0.240 CCC(C)NC(=O)NCCS(=O)O d6b4181fdb8ac5f2ece2932898546471 [0,2,0,0,0,0|2,0,0]=4 3486 B12R0.240 CCC(C)NC(=S)NCCC(=O)O bbd1d584659c561a265b2a6b44e6cd5b [0,2,0,0,0,0|1,1,0]=4 3487 B12R0.240 CCC(O)CC(=O)NCCC(=O)N 58933024911e3ab480f12f78c45f5fc9 [0,2,0,0,0,0|2,0,0]=4 3488 B12R0.240 CCC(O)CC(=O)NCCS(=O)O bb69f96738cfd5767392acfafcaadd0e [0,2,0,0,0,0|2,0,0]=4 3489 B12R0.240 CCC(O)CN(C)CCCC(=O)O 0bda349685c05bab680148071657ec71 [0,2,0,0,0,0|2,0,0]=4 3490 B12R0.240 CCN(C)CC(=O)NCCC(=O)N 141a2cbfd262980f7185a3fe1c9dd47e [0,2,0,0,0,0|2,0,0]=4 3491 B12R0.240 CCN(C)CC(=O)NCCC(=O)O 3f0082beb9c3caf571cf8139bb9c1dc6 [0,2,0,0,0,0|1,0,0]=3 3492 B12R0.240 CCN(C)CC(=O)NCCS(=O)O 95d00db66c9b49d091b8a6f2379108df [0,2,0,0,0,0|2,0,0]=4 3493 B12R0.240 CC[C@@H](C)CC(=O)NCCC(=O)N fbe02da253b28bfd88e7bcd674d167cd [0,2,0,0,0,0|2,0,0]=4 3494 B12R0.240 CC[C@@H](C)CC(=O)NCCS(=O)O 25eb558cf3815d13d8b699526232595d [0,2,0,0,0,0|2,0,0]=4 3495 B12R0.240 CC[C@@H](C)CN(C)CCCC(=O)O 82796c66f5bb1893f734030be5e19b93 [0,2,0,0,0,0|2,0,0]=4 3496 B12R0.240 CC[C@@H](C)NC(=O)CCCC(=O)C c4ea54d394fced82e1338df9f01cf273 [0,2,0,0,0,0|1,0,0]=3 3497 B12R0.240 CC[C@@H](C)NC(=O)CCCC(=O)N 6941dd45f149ee08194da8fdd0fd2a21 [0,2,0,0,0,0|1,0,0]=3 3498 B12R0.240 CC[C@@H](C)NC(=O)CCC[N+](=O)[O-] 93f4fc56c6e088e9be90b570bff81ad2 [0,2,0,0,0,0|1,0,1]=4 3499 B12R0.240 CC[C@@H](C)NC(=O)CCNC(=O)C 3cdf8a83590ac4af35086b6c2a2102ed [0,2,0,0,0,0|2,0,0]=4 3500 B12R0.240 CC[C@@H](C)NC(=O)CCNC(=O)N 7f6e3d90dd9735ba84a0a227c887a175 [0,2,0,0,0,0|2,0,0]=4 3501 B12R0.240 CC[C@@H](C)NC(=O)CCOC(=O)C abd6673fdcea8b79f16d493481c0c9a2 [0,2,0,0,0,0|2,0,0]=4 3502 B12R0.240 CC[C@@H](C)NC(=O)CCSC(=O)C 14dfa41633adb6466300d1ac6aee8b39 [0,2,0,0,0,0|2,0,0]=4 3503 B12R0.240 CC[C@@H](C)NC(=O)COCC(=O)N aec42f1f08c03eb8934f73186016efa5 [0,2,0,0,0,0|2,0,0]=4 3504 B12R0.240 CC[C@@H](C)NC(=O)CSCC(=O)N 83b59814418a618bb384cc750fa4e1ac [0,2,0,0,0,0|2,0,0]=4 3505 B12R0.240 CC[C@@H](C)NC(=O)NCCC(=O)N 2f4ad50d878ce54a842e2719767493c8 [0,2,0,0,0,0|2,0,0]=4 3506 B12R0.240 CC[C@@H](C)NC(=O)NCCC(=O)O 898272fbc7f23bd65653916b4938c439 [0,2,0,0,0,0|1,0,0]=3 3507 B12R0.240 CC[C@@H](C)NC(=O)NCCS(=O)O f2af0a1a72c314e0c59f8a747aab5da3 [0,2,0,0,0,0|2,0,0]=4 3508 B12R0.240 CC[C@@H](C)NC(=S)NCCC(=O)O 0da6b49bb1960084e9ed9e2fcd9ecaff [0,2,0,0,0,0|1,1,0]=4 3509 B12R0.240 CC[C@@H](O)CC(=O)NCCC(=O)N ecc80d1a0179ff3095e1f1d2390cf953 [0,2,0,0,0,0|2,0,0]=4 3510 B12R0.240 CC[C@@H](O)CC(=O)NCCS(=O)O d91dc458805113e59aaa2196459d74fd [0,2,0,0,0,0|2,0,0]=4 3511 B12R0.240 CC[C@H](C)CC(=O)NCCC(=O)N db3a4e66a95c1dbdfee20109b4bfd3af [0,2,0,0,0,0|2,0,0]=4 3512 B12R0.240 CC[C@H](C)CC(=O)NCCS(=O)O ba3795ba7a850e40fbf7c76592a6e68e [0,2,0,0,0,0|2,0,0]=4 3513 B12R0.240 CC[C@H](C)CN(C)CCCC(=O)O a7cbd7b36dac71a0e6576a5c118bc279 [0,2,0,0,0,0|2,0,0]=4 3514 B12R0.240 CC[C@H](C)NC(=O)CCCC(=O)C cb40b49096d7ff70c6585cedf8639283 [0,2,0,0,0,0|1,0,0]=3 3515 B12R0.240 CC[C@H](C)NC(=O)CCCC(=O)N e660c03fb930e25e4bc60aed80113b0f [0,2,0,0,0,0|1,0,0]=3 3516 B12R0.240 CC[C@H](C)NC(=O)CCC[N+](=O)[O-] 365ec1aa0a64075bcb712ed691d02ef3 [0,2,0,0,0,0|1,0,1]=4 3517 B12R0.240 CC[C@H](C)NC(=O)CCNC(=O)C b2f98ad12cda2ddea916b5174f2bae1f [0,2,0,0,0,0|2,0,0]=4 3518 B12R0.240 CC[C@H](C)NC(=O)CCNC(=O)N 067c2a324891130403d83dfcd4322a62 [0,2,0,0,0,0|2,0,0]=4 3519 B12R0.240 CC[C@H](C)NC(=O)CCOC(=O)C 6f20097dcb099b37b306ff50e6c7fb5c [0,2,0,0,0,0|2,0,0]=4 3520 B12R0.240 CC[C@H](C)NC(=O)CCSC(=O)C b7599ba122460da352604f9c2e54d976 [0,2,0,0,0,0|2,0,0]=4 3521 B12R0.240 CC[C@H](C)NC(=O)COCC(=O)N 73abe92688bf8bd2bdb057ddd21003dc [0,2,0,0,0,0|2,0,0]=4 3522 B12R0.240 CC[C@H](C)NC(=O)CSCC(=O)N 3067f3ece59259dd13b293a0becb2fab [0,2,0,0,0,0|2,0,0]=4 3523 B12R0.240 CC[C@H](C)NC(=O)NCCC(=O)N db91369604864bdaa316e0f4726fdd53 [0,2,0,0,0,0|2,0,0]=4 3524 B12R0.240 CC[C@H](C)NC(=O)NCCC(=O)O 70fe7d0e0dfff85c6dd7ec0de5dc23e2 [0,2,0,0,0,0|1,0,0]=3 3525 B12R0.240 CC[C@H](C)NC(=O)NCCS(=O)O 737267d3a3107e9d65579146796b514e [0,2,0,0,0,0|2,0,0]=4 3526 B12R0.240 CC[C@H](C)NC(=S)NCCC(=O)O 432e26804f91d9c1127114098be1b3e5 [0,2,0,0,0,0|1,1,0]=4 3527 B12R0.240 CC[C@H](O)CC(=O)NCCC(=O)N a876dbf9fe280bc0df71525567dc7295 [0,2,0,0,0,0|2,0,0]=4 3528 B12R0.240 CC[C@H](O)CC(=O)NCCS(=O)O de2fe02590abbfe57e1cb0d9c650805a [0,2,0,0,0,0|2,0,0]=4 3529 B12R0.240 CN(CCCC(=O)O)CC(O)CF f8579b3b8b3cf4f45b918c4614dd4204 [0,2,0,0,0,0|2,0,0]=4 3530 B12R0.240 CN(CCCC(=O)O)CC(O)CO 346230b79c309392dd1f26d4857a1c1f [0,2,0,0,0,0|2,0,0]=4 3531 B12R0.240 CN(CCCC(=O)O)C[C@@H](O)CO 1ea99214be5202677fe20588055c112d [0,2,0,0,0,0|2,0,0]=4 3532 B12R0.240 CN(CCCC(=O)O)C[C@H](O)CO 7708f0eabddb0f238a4dc440591bbff3 [0,2,0,0,0,0|2,0,0]=4 3533 B12R0.240 COC(=O)CC(=O)CNCC(=O)O 1bb1b16730e6f01fb407637f70f1e4bb [0,2,0,0,0,0|1,0,1]=4 3534 B12R0.240 COC(=O)CC(=O)COCC(=O)O 4e1f0a7c32c2f326e4cf7a00c4578a29 [0,2,0,0,0,0|1,0,1]=4 3535 B12R0.240 COC(C)CC(=O)NCCC(=O)N fd69b4a869b883f127711f8ddaa0fcab [0,2,0,0,0,0|2,0,0]=4 3536 B12R0.240 COC(C)CC(=O)NCCS(=O)O 5301f52ee008ff9bb27c5e6da1d8dae6 [0,2,0,0,0,0|2,0,0]=4 3537 B12R0.240 COC(C)CN(C)CCCC(=O)O 8e43139afd7763407cf464f95076877a [0,2,0,0,0,0|2,0,0]=4 3538 B12R0.240 CO[C@@H](C)CN(C)CCCC(=O)O d0a84a37989cde6b5e461fe0fcf77576 [0,2,0,0,0,0|2,0,0]=4 3539 B12R0.240 CO[C@H](C)CN(C)CCCC(=O)O 62c5affc545341f6949e0291ac84dd2e [0,2,0,0,0,0|2,0,0]=4 3540 B12R0.240 C[C@@H](CO)CN(C)CCCC(=O)O 8e680b4c6a831e6e65edbedea4c47adf [0,2,0,0,0,0|2,0,0]=4 3541 B12R0.240 C[C@@H](CO)NC(=O)CCCC(=O)N a004d56e12aa2130ac398c735bbe8d1a [0,2,0,0,0,0|2,0,0]=4 3542 B12R0.240 C[C@@H](CO)NC(=O)NCCC(=O)O 1e3f41fbdad6c534d6aaf9cc2ffbdcc3 [0,2,0,0,0,0|2,0,0]=4 3543 B12R0.240 C[C@H](CO)CN(C)CCCC(=O)O 40858fce7af8c59ca7da8110ec15c56b [0,2,0,0,0,0|2,0,0]=4 3544 B12R0.240 C[C@H](CO)NC(=O)CCCC(=O)N 475690cbc8a923eeee8dad2b26a31dbb [0,2,0,0,0,0|2,0,0]=4 3545 B12R0.240 C[C@H](CO)NC(=O)NCCC(=O)O 4c00ed19389b6d94f7b95ec3553dbd16 [0,2,0,0,0,0|2,0,0]=4 3546 B12R0.241 C=C(C)CC(=O)NCCC(=O)NO 942938a20ada8e0c8400062bb4187abd [0,2,0,0,0,0|1,0,1]=4 3547 B12R0.241 C=C(C)CC(=O)NCCC(=O)OC d7ce3aecb612c9554df72688b7dd9237 [0,2,0,0,0,0|1,0,1]=4 3548 B12R0.241 CC(=O)CC(=O)NCCC(=O)NO 585e322d1f2ec18a9c7d9b0eb8dc94a2 [0,2,0,0,0,0|1,0,1]=4 3549 B12R0.241 CC(C)CC(=O)CNCC(=O)NO 7d08edbc9416aedcd10d41908fd2c7e0 [0,2,0,0,0,0|1,0,0]=3 3550 B12R0.241 CC(C)CC(=O)NCCC(=O)NO c483320c9255dff1fee85bf0a3a8fccd [0,2,0,0,0,0|1,0,0]=3 3551 B12R0.241 CC(C)NC(=O)CNCC(=O)CO cc4b6df8e70315b7fb027a4a6864c074 [0,2,0,0,0,0|2,0,0]=4 3552 B12R0.241 CC(C)NC(=O)CNCC(=O)NO 920279c0dc28c84e01e1f2ff10c7ef8d [0,2,0,0,0,0|2,0,0]=4 3553 B12R0.241 CC(C)OC(=O)CNCC(=O)NO f9a069e780368b5f5fca74a07dac4242 [0,2,0,0,0,0|2,0,0]=4 3554 B12R0.241 CC(O)CC(=O)NCCC(=O)NO 24a3cc7a36b22b930e6cf0054115ca1c [0,2,0,0,0,0|1,0,0]=3 3555 B12R0.241 CCC(=O)COCC(=O)CC(C)C 175edc73437b68c76a4f8cfbb78d242d [0,2,0,0,0,0|2,0,0]=4 3556 B12R0.241 CN(C)CC(=O)NCCC(=O)NO 09e4eac295f0b3f4518964188f1f5506 [0,2,0,0,0,0|2,0,0]=4 3557 B12R0.241 CNC(=O)CCNC(=O)CC(C)C e26cd5e8859b5d007ea614f5a74061a9 [0,2,0,0,0,0|2,0,0]=4 3558 B12R0.241 CNC(=O)CCNC(=O)CC(C)O 410ef0c605674fa9333f062f0cbda4fb [0,2,0,0,0,0|2,0,0]=4 3559 B12R0.241 CNC(=O)CCNC(=O)C[C@@H](C)O 837b2cd484b8d10b40ced000351c965e [0,2,0,0,0,0|2,0,0]=4 3560 B12R0.241 CNC(=O)CCNC(=O)C[C@H](C)O 33886b7d54ec9498e01c00dc1ff446cd [0,2,0,0,0,0|2,0,0]=4 3561 B12R0.241 CNC(=O)CNCC(=O)CC(C)C c115d55136faf9e7df7ab951c727289f [0,2,0,0,0,0|2,0,0]=4 3562 B12R0.241 CNC(=O)COCC(=O)CC(C)C 32001d8f7f6158b41b5e1571ccacf2f8 [0,2,0,0,0,0|2,0,0]=4 3563 B12R0.241 COC(=O)CCCN(C)CC(C)C 3a1bdb66891b22131117e6f56072795e [0,2,0,0,0,0|2,0,0]=4 3564 B12R0.241 COC(=O)CCCN(C)CC(C)O 61d0f89aa68b22baca92bf1921aa1730 [0,2,0,0,0,0|2,0,0]=4 3565 B12R0.241 COC(=O)CCCN(C)C[C@H](C)O bf2c417b68d74cecc3c961f9cf5289a0 [0,2,0,0,0,0|2,0,0]=4 3566 B12R0.241 COC(=O)CCNC(=O)CC(=O)C 3b7181211b6a174170fc816dda601c25 [0,2,0,0,0,0|1,0,1]=4 3567 B12R0.241 COC(=O)CCNC(=O)CC(C)C 0e9a4696b24cafb7e53c32908b7a9dad [0,2,0,0,0,0|1,0,0]=3 3568 B12R0.241 COC(=O)CCNC(=O)CC(C)O d8af83ad02f38f3ac7022fea80d5cf12 [0,2,0,0,0,0|1,0,0]=3 3569 B12R0.241 COC(=O)CCNC(=O)CC(F)F 8c3cfc56b5debb141818acc1608a399c [0,2,0,0,0,0|2,0,0]=4 3570 B12R0.241 COC(=O)CCNC(=O)CN(C)C cd353f9782da1dd83960b8c4836ce8b7 [0,2,0,0,0,0|2,0,0]=4 3571 B12R0.241 COC(=O)CCNC(=O)C[C@@H](C)O 41016bba1113bed53deaf4d33f4fc1d0 [0,2,0,0,0,0|1,0,0]=3 3572 B12R0.241 COC(=O)CCNC(=O)C[C@H](C)O c18d22dde63d45cbb80c6b3f47a4a162 [0,2,0,0,0,0|1,0,0]=3 3573 B12R0.241 COC(=O)CNCC(=O)CC(C)C b02a1575b5c149deca941ee147d36e7a [0,2,0,0,0,0|1,0,0]=3 3574 B12R0.241 COC(=O)CNCC(=O)NC(C)C 232f09f7ae4e8f8435e0db850d037309 [0,2,0,0,0,0|2,0,0]=4 3575 B12R0.241 COC(=O)CNCC(=O)OC(C)C 20f827b94b05d4df89199f53299b1969 [0,2,0,0,0,0|2,0,0]=4 3576 B12R0.241 COC(=O)COCC(=O)CC(C)C 3f17b1ad8b7cf369948b918ae9eec960 [0,2,0,0,0,0|1,0,0]=3 3577 B12R0.241 COC(=O)COCC(=O)NC(C)C 67121fb1727b793954abf47f9ca666c4 [0,2,0,0,0,0|2,0,0]=4 3578 B12R0.241 COC(=O)COCC(=O)OC(C)C e2d269dd87777f91a99d5cd3ebe64395 [0,2,0,0,0,0|2,0,0]=4 3579 B12R0.241 C[C@@H](O)CC(=O)NCCC(=O)NO 60cbc6fd1954080f15169a27e4e6078c [0,2,0,0,0,0|1,0,0]=3 3580 B12R0.241 C[C@H](O)CC(=O)NCCC(=O)NO 83bafd8afe4f28f57b5a0e40e7609572 [0,2,0,0,0,0|1,0,0]=3 3581 B12R0.241 O=C(CCNC(=O)CC(F)F)NO c19977cf011997bf55dc3b81ce4a9af3 [0,2,0,0,0,0|2,0,0]=4 3582 B12R0.258 CC(C)CC(=O)N(C)CCC(=O)N 083912ceba61da8c0802d45d5cc1c285 [0,2,0,0,0,0|2,0,0]=4 3583 B12R0.258 CC(C)CN(C)C(C)CCC(=O)O e7a53bb0d2a1a54968eb932254fd631f [0,2,0,0,0,0|2,0,0]=4 3584 B12R0.258 CC(C)NC(=O)C(C)NCC(=O)O 6a081596f28ddd6878ae8dd0cc8d6ffc [0,2,0,0,0,0|2,0,0]=4 3585 B12R0.258 CC(C)NC(=O)C(C)OCC(=O)O b680a74ad8d9fd4d530a41f753adb335 [0,2,0,0,0,0|2,0,0]=4 3586 B12R0.258 CC(C)OC(=O)C(C)NCC(=O)O 66a583d936991f745d69dee19aec96e8 [0,2,0,0,0,0|2,0,0]=4 3587 B12R0.258 CC(C)OC(=O)C(C)OCC(=O)O 3b52c0edef3b9a715aa171f90f250219 [0,2,0,0,0,0|2,0,0]=4 3588 B12R0.258 CC(C)OC(=O)[C@@H](C)OCC(=O)O df4abead1f578f930f7ff3b78b9af37a [0,2,0,0,0,0|2,0,0]=4 3589 B12R0.258 CC(C)OC(=O)[C@H](C)OCC(=O)O 522915ef2796c465f84002b76ce18fe4 [0,2,0,0,0,0|2,0,0]=4 3590 B12R0.258 CC(CCC(=O)O)N(C)C[C@H](C)O 292d70b799c567c61b711261d635dfe9 [0,2,0,0,0,0|2,0,0]=4 3591 B12R0.258 CC(O)CC(=O)N(C)CCC(=O)N f770583dd8c11e3f89f0b3f73d3e66ac [0,2,0,0,0,0|2,0,0]=4 3592 B12R0.258 CC(O)CN(C)C(C)CCC(=O)O d52697d40e689cdd0500627fdfed789c [0,2,0,0,0,0|2,0,0]=4 3593 B12R0.258 C[C@@H](O)CC(=O)N(C)CCC(=O)N 9de66129e98d1814c970ed4a8f33d3c9 [0,2,0,0,0,0|2,0,0]=4 3594 B12R0.258 C[C@H](O)CC(=O)N(C)CCC(=O)N 44ec9f4df3b8d90b1f21ab9b6a90707a [0,2,0,0,0,0|2,0,0]=4 3595 B12R0.686 CC(C)C(F)C(=O)NCCC(=O)N 02048e2b646f27317c118d02ade1262a [0,2,0,0,0,0|2,0,0]=4 3596 B12R0.686 CC(C)C(F)C(=O)NCCS(=O)O c2259d77e48273a69d57558602d022c8 [0,2,0,0,0,0|2,0,0]=4 3597 B12R0.686 CC(C)C(O)C(=O)NCCC(=O)N 3fdfea4733da31ffe702de890ba73316 [0,2,0,0,0,0|2,0,0]=4 3598 B12R0.686 CC(C)C(O)C(=O)NCCS(=O)O 1c249a18bcd291c53742f6132073241c [0,2,0,0,0,0|2,0,0]=4 3599 B12R0.686 CC(C)N(C)C(=O)NCCC(=O)O 9a51181b4813cee816adfd00155fd18a [0,2,0,0,0,0|2,0,0]=4 3600 B12R0.686 CC(C)[C@@H](O)C(=O)NCCC(=O)N 14bdfb6494b974c51572bf53b2ed3b9c [0,2,0,0,0,0|2,0,0]=4 3601 B12R0.686 CC(C)[C@@H](O)C(=O)NCCS(=O)O 3d75b7d2ca86fc05a05e7aef9b7ec111 [0,2,0,0,0,0|2,0,0]=4 3602 B12R0.686 CC(C)[C@H](O)C(=O)NCCC(=O)N c44ba7fca4704100cabfe4144d7e6caa [0,2,0,0,0,0|2,0,0]=4 3603 B12R0.686 CC(C)[C@H](O)C(=O)NCCS(=O)O 5d2599a52da4329dcb9ec669f267c4dc [0,2,0,0,0,0|2,0,0]=4 3604 B12R0.686 C[C@@H](O)[C@H](O)C(=O)NCCC(=O)N d81e0e85574092a8ae8efda906c32c3d [0,2,0,0,0,0|2,0,0]=4 3605 B12R0.686 C[C@@H](O)[C@H](O)C(=O)NCCS(=O)O fa9bc65f24649926380e7a8e57d76c29 [0,2,0,0,0,0|2,0,0]=4 3606 B12R0.687 CC(=O)C(C)OCC(=O)CC(C)C 17b12495abd8859b849af3f0e410c716 [0,2,0,0,0,0|2,0,0]=4 3607 B12R0.687 CC(C)CC(=O)CNC(C)C(=O)N 1f87dba8d854520bb5741239a9d01d39 [0,2,0,0,0,0|2,0,0]=4 3608 B12R0.687 CC(C)CC(=O)CNC(C)C(=O)O e59b3efc26ee214534b2a2fe2a7d3c97 [0,2,0,0,0,0|1,0,0]=3 3609 B12R0.687 CC(C)CC(=O)CNC(O)C(=O)O 89c65bb87f58c6b173561f48f0239f1f [0,2,0,0,0,0|1,0,0]=3 3610 B12R0.687 CC(C)CC(=O)CN[C@@H](C)C(=O)N f16ddfa0d0439b3267a0ae2657d572ea [0,2,0,0,0,0|2,0,0]=4 3611 B12R0.687 CC(C)CC(=O)CN[C@@H](C)C(=O)O 6ff94b53feb567e7edf72ec2cfd47d9d [0,2,0,0,0,0|1,0,0]=3 3612 B12R0.687 CC(C)CC(=O)CN[C@H](C)C(=O)N 498ba414eb479b996004b2956048c59c [0,2,0,0,0,0|2,0,0]=4 3613 B12R0.687 CC(C)CC(=O)CN[C@H](C)C(=O)O 6ba4361817869853a7cacb69b9632349 [0,2,0,0,0,0|1,0,0]=3 3614 B12R0.687 CC(C)CC(=O)COC(C)C(=O)N ddb727e484920649749588cc08ba951a [0,2,0,0,0,0|2,0,0]=4 3615 B12R0.687 CC(C)CC(=O)CO[C@@H](C)C(=O)N 69521e43b26deea72a334610c58b95a1 [0,2,0,0,0,0|2,0,0]=4 3616 B12R0.687 CC(C)CC(=O)CO[C@H](C)C(=O)N c2d802b1e00cb6d10f03ab736cc57ab3 [0,2,0,0,0,0|2,0,0]=4 3617 B12R0.687 CC(C)NC(=O)CNC(C)C(=O)O 2764c32dfcf7136ed1aada57cd23a041 [0,2,0,0,0,0|2,0,0]=4 3618 B12R0.687 CC(C)NC(=O)CNC(O)C(=O)O ea22cc898b1d3c450a833c4f765a1629 [0,2,0,0,0,0|2,0,0]=4 3619 B12R0.687 CC(C)NC(=O)CN[C@@H](C)C(=O)O b74063df32a0c4adcac6b12c9a42f70b [0,2,0,0,0,0|2,0,0]=4 3620 B12R0.687 CC(C)NC(=O)CN[C@H](C)C(=O)O 60b26c35e0eae553dbce30c89dffb531 [0,2,0,0,0,0|2,0,0]=4 3621 B12R0.687 CC(C)NC(=O)COC(C)C(=O)O da638354d94750852036c14be7502b1c [0,2,0,0,0,0|2,0,0]=4 3622 B12R0.687 CC(C)NC(=O)CO[C@@H](C)C(=O)O d5144ea3adefd3eedb16fceb12629d0d [0,2,0,0,0,0|2,0,0]=4 3623 B12R0.687 CC(C)NC(=O)CO[C@H](C)C(=O)O 187819f0941eb920d3936b7180100d74 [0,2,0,0,0,0|2,0,0]=4 3624 B12R0.687 CC(C)OC(=O)CNC(C)C(=O)O 9eaa1f221ebb45e377a0f6214c3da5fc [0,2,0,0,0,0|2,0,0]=4 3625 B12R0.687 CC(C)OC(=O)CNC(O)C(=O)O d38ae064794f46adb13e2972bb85d553 [0,2,0,0,0,0|2,0,0]=4 3626 B12R0.687 CC(C)OC(=O)CN[C@@H](C)C(=O)O f8ab0a82744a8fb0927f009531ee9512 [0,2,0,0,0,0|2,0,0]=4 3627 B12R0.687 CC(C)OC(=O)CN[C@H](C)C(=O)O b4a8ac862d9427e046a05ebfdb41ebb7 [0,2,0,0,0,0|2,0,0]=4 3628 B12R0.687 CC(C)OC(=O)COC(C)C(=O)O 4123d4a416b983f013a307a5c679fa39 [0,2,0,0,0,0|2,0,0]=4 3629 B12R0.687 CC(C)OC(=O)CO[C@@H](C)C(=O)O ae24ca415b30f61ebab2beede6ae8b89 [0,2,0,0,0,0|2,0,0]=4 3630 B12R0.687 CC(C)OC(=O)CO[C@H](C)C(=O)O d5e6974c15b6ee587ec026811f3fd957 [0,2,0,0,0,0|2,0,0]=4 3631 B12R0.30 CCCN(CC)C(C)CCC(=O)O 19d43b8259d3aeb1fb1357476d6a1052 [0,2,0,0,0,0|2,0,0]=4 3632 B12R0.164 C=CCN(CCC)CCCC(=O)O 07b92b71582c8c9ba8e379e2c398576c [0,2,0,0,0,0|2,0,0]=4 3633 B12R0.164 CCCN(CCC)CCCC(=O)O 1eee9f89d378e8dcf11651605dc11574 [0,2,0,0,0,0|2,0,0]=4 3634 B12R0.164 CCCN(CCO)CCCC(=O)O a9e11c0ce74fe79d600a966e0aa26534 [0,2,0,0,0,0|1,0,1]=4 3635 B12R0.229 CCCN(CC)CCCC(=O)OC 14c9b7e1ba3d658c71b81ac8d9d1eb85 [0,2,0,0,0,0|2,0,0]=4 3636 B12R0.254 CCC/C=C(\CC)/COCC(=O)O add3aba0c772e226acf0edbb19276fea [0,2,0,0,0,0|2,0,0]=4 3637 B12R0.397 CCCC(CNCC(=O)O)C(=O)O 9c473a75ae45656dbce97ff025dafb22 [0,2,0,0,0,0|1,0,1]=4 3638 B12R0.397 CCCC(NCCC(=O)O)C(=O)C f65587f8a191e09cea37173bd41f3f03 [0,2,0,0,0,0|1,0,1]=4 3639 B12R0.397 CCCC(NCCC(=O)O)C(=O)O 6ffef888d3cc3dff08666fc6ab3a01b2 [0,2,0,0,0,0|1,0,1]=4 3640 B12R0.397 CCCC(OCCC(=O)O)C(=O)N 6b47a1f27b01fcaa412f49d36a48ba86 [0,2,0,0,0,0|1,0,1]=4 3641 B12R0.397 CCCC(OCCC(=O)O)C(=O)O 19c71c3e0d63c08e1faad98ea6e91002 [0,2,0,0,0,0|1,0,1]=4 3642 B12R0.397 CCCN(CCCC(=O)O)C(C)C 61e1100cb74e03affeac5f6d0695dd7d [0,2,0,0,0,0|2,0,0]=4 3643 B12R0.397 CCC[C@@H](CNCC(=O)O)C(=O)O 0beb9cfe6f8460d0e899ca8df9333474 [0,2,0,0,0,0|1,0,1]=4 3644 B12R0.397 CCC[C@@H](NCCC(=O)O)C(=O)O f05bbff2de68d68b4614349ee5c8c9f2 [0,2,0,0,0,0|1,0,1]=4 3645 B12R0.397 CCC[C@@H](OCCC(=O)O)C(=O)O cefce75dfb98d9d8b6ba6baa7e15d018 [0,2,0,0,0,0|1,0,1]=4 3646 B12R0.397 CCC[C@H](COCC(=O)O)C(=O)O c3e8a5d39931b0588e56bc7194ac8624 [0,2,0,0,0,0|1,0,1]=4 3647 B12R0.397 CCC[C@H](NCCC(=O)O)C(=O)O 9301ef882d2fe05c18b280757283332c [0,2,0,0,0,0|1,0,1]=4 3648 B12R0.397 CCC[C@H](OCCC(=O)O)C(=O)O b8be054ec322b277508cfac87cf1d4d6 [0,2,0,0,0,0|1,0,1]=4 3649 B12R0.397 CCNC(CCCC(=O)O)C(=O)O 639c485d34424899a2c85d0724755dee [0,2,0,0,0,0|1,0,1]=4 3650 B12R0.397 CCN[C@@H](CCCC(=O)O)C(=O)O 83bd42f056dbff94032e4d9fea7e39f6 [0,2,0,0,0,0|1,0,1]=4 3651 B12R0.397 CCN[C@H](CCCC(=O)O)C(=O)O 4bda948bf15dbfc74f2af31ac81bfcd7 [0,2,0,0,0,0|1,0,1]=4 3652 B12R0.397 CCOC(CCCC(=O)O)C(=O)O e1e89c92b84e37bccf0cba187e2d96dd [0,2,0,0,0,0|1,0,1]=4 3653 B12R0.76 CCNC(=O)C(C)NC(C)C(=O)O 335674cd3be808044b6b7236f17a7dfe [0,2,0,0,0,0|2,0,0]=4 3654 B12R0.76 CCNC(=O)C(C)NC(O)C(=O)O ebd5b77cfd842bf9db2cce8cee8eb3ac [0,2,0,0,0,0|2,0,0]=4 3655 B12R0.76 CCNC(=O)C(C)N[C@@H](C)C(=O)O 6b37e3493f21acb04db7ae2ef179fc49 [0,2,0,0,0,0|2,0,0]=4 3656 B12R0.76 CCNC(=O)C(C)N[C@H](C)C(=O)O 02ec4649eea03ac295b9d951c6dc2e7a [0,2,0,0,0,0|2,0,0]=4 3657 B12R0.76 CCNC(=O)C(C)OC(C)C(=O)O 187620de43781a2d4ca7b46a24dc9fa4 [0,2,0,0,0,0|2,0,0]=4 3658 B12R0.76 CCNC(=O)C(C)O[C@@H](C)C(=O)O 808fb350c8bac31607eacfa7ab776bb7 [0,2,0,0,0,0|2,0,0]=4 3659 B12R0.76 CCNC(=O)C(C)O[C@H](C)C(=O)O 9d7003bb736605d64ffa55b6a927664c [0,2,0,0,0,0|2,0,0]=4 3660 B12R0.76 CCOC(=O)C(C)NC(O)C(=O)O d895d6216d59ddbd39a5fb78535a07ea [0,2,0,0,0,0|2,0,0]=4 3661 B12R0.76 CCOC(=O)C(F)NC(O)C(=O)O 1aba9beb0298db806be05e43208c9daa [0,2,0,0,0,0|2,0,0]=4 3662 B12R0.76 CCOC(=O)C(F)OC(C)C(=O)O 5e7141b9336b60588fc777451564a93b [0,2,0,0,0,0|2,0,0]=4 3663 B12R0.76 CCOC(=O)C(F)O[C@@H](C)C(=O)O 0086a36eba1e58b3f34efe7b9255dbe4 [0,2,0,0,0,0|2,0,0]=4 3664 B12R0.76 CCOC(=O)C(F)O[C@H](C)C(=O)O 5b31054d3ff9b27fc9cfcd0909a17f07 [0,2,0,0,0,0|2,0,0]=4 3665 B12R0.76 CCOC(=O)[C@@H](C)NC(O)C(=O)O ebc3a9233793b80a632e89a745d4b362 [0,2,0,0,0,0|2,0,0]=4 3666 B12R0.76 CCOC(=O)[C@H](C)NC(O)C(=O)O cf2b3ee5f13f58842f4ab8c59731c2cc [0,2,0,0,0,0|2,0,0]=4 3667 B12R0.77 C#CC(OCC(=O)O)C(=O)OCC e8a66a41858066932bc6dc7ca8d2923e [0,2,0,0,0,0|2,0,0]=4 3668 B12R0.77 CCCC(=O)C(CC)NCC(=O)C f794a7db929e65bd3c127f6a3616d4f9 [0,2,0,0,0,0|2,0,0]=4 3669 B12R0.77 CCCC(=O)C(CC)NCC(=O)N 0296fdc0b632d0e934719a7a58c74738 [0,2,0,0,0,0|2,0,0]=4 3670 B12R0.77 CCCC(=O)C(CC)OCS(=O)O ee640e39af0269dcc0d481345b8917c3 [0,2,0,0,0,0|2,0,0]=4 3671 B12R0.77 CCCC(=O)N(CC)CCC(=O)N b09b8d4e56a2b3860b34381163b63638 [0,2,0,0,0,0|2,0,0]=4 3672 B12R0.77 CCNC(=O)C(CC)NCC(=O)O 6a1ddf0d5d9a72a129aa94984c661f2b [0,2,0,0,0,0|2,0,0]=4 3673 B12R0.77 CCOC(=O)C(C#N)NCC(=O)O 9e22c3af918a7e53d6cac11b54844020 [0,2,0,0,0,0|2,0,0]=4 3674 B12R0.77 CCOC(=O)C(C=O)NCC(=O)O 0d165406c81a6cdf256f4d40131f6690 [0,2,0,0,0,0|2,0,0]=4 3675 B12R0.77 CCOC(=O)C(C=O)OCC(=O)O ced38bee37aead431a70a9d1b59e0896 [0,2,0,0,0,0|2,0,0]=4 3676 B12R0.77 CCOC(=O)C(CC)NCC(=O)O f41b0b36d1f030006327a7ccd183e1b7 [0,2,0,0,0,0|2,0,0]=4 3677 B12R0.77 CCOC(=O)C(CC)OCC(=O)O 27cffd304b312681c10dac60c1c4196a [0,2,0,0,0,0|2,0,0]=4 3678 B12R0.77 CCOC(=O)C(OCC(=O)O)SC afd640fe2d95e98d584a53cabd72c847 [0,2,0,0,0,0|2,0,0]=4 3679 B12R0.77 CCOC(=O)[C@@H](CC)NCC(=O)O 8b93a7d26b4da71fd70d17ceef9d350b [0,2,0,0,0,0|2,0,0]=4 3680 B12R0.77 CCOC(=O)[C@@H](CC)OCC(=O)O 5781c992292097ced6332ea8aa99fe92 [0,2,0,0,0,0|2,0,0]=4 3681 B12R0.77 CCOC(=O)[C@H](CC)NCC(=O)O f1dcdc1c9679396d6ff7c4af85f1522e [0,2,0,0,0,0|2,0,0]=4 3682 B12R0.77 CCOC(=O)[C@H](CC)OCC(=O)O e37e0dcde919644ed733389d53cffe9a [0,2,0,0,0,0|2,0,0]=4 3683 B12R0.88 CCC(C)N(C)C(C)CCC(=O)O 552be0e0753ba422fc59fd26b6ccd324 [0,2,0,0,0,0|2,0,0]=4 3684 B12R0.88 CCC(O)C(=O)N(C)CCC(=O)N cf1d2bde280691af2d829b0e1bb983ef [0,2,0,0,0,0|2,0,0]=4 3685 B12R0.88 CCN(C)C(=O)C(C)NCC(=O)O 8428ac9a2461f6f5fec0752d59f743d9 [0,2,0,0,0,0|2,0,0]=4 3686 B12R0.88 CC[C@@H](O)C(=O)N(C)CCC(=O)N 850152884e09005c955d214a6c4a905f [0,2,0,0,0,0|2,0,0]=4 3687 B12R0.88 CC[C@H](O)C(=O)N(C)CCC(=O)N 59bb0fa565497c9e5289d2ef8a6ea121 [0,2,0,0,0,0|2,0,0]=4 3688 B12R0.88 CC[C@H](S)C(=O)N(C)CCC(=O)N 59af5c663a37cd72b39af7c9f80c5f49 [0,2,0,0,0,0|2,0,0]=4 3689 B12R0.98 CCCCC(=O)N(C)CCC(=O)N 9ec5b56e328a998d043b4a9291fbea2e [0,2,0,0,0,0|2,0,0]=4 3690 B12R0.98 CCCNC(=O)C(C)NCC(=O)C 8a166ed67bcb1bb00ada64194a7a3fef [0,2,0,0,0,0|2,0,0]=4 3691 B12R0.98 CCCNC(=O)C(C)NCC(=O)N 1c7cf7ff56e9fef510b08de18cc41974 [0,2,0,0,0,0|2,0,0]=4 3692 B12R0.98 CCCNC(=O)C(C)NCC(=O)O fd20377a75e9ea572348e855cfedeb18 [0,2,0,0,0,0|1,0,0]=3 3693 B12R0.98 CCCNC(=O)C(C)OCC(=O)C 428620d38aaccb76e4ac6acc20600b38 [0,2,0,0,0,0|2,0,0]=4 3694 B12R0.98 CCCNC(=O)C(C)OCC(=O)N 160e83a04288332bed7c79b8b1c2aafa [0,2,0,0,0,0|2,0,0]=4 3695 B12R0.98 CCCNC(=O)C(C)OCC(=O)O 28ba850cbc4734d9092c8d4ab691eee6 [0,2,0,0,0,0|1,0,0]=3 3696 B12R0.98 CCCNC(=O)C(C)OCS(=O)O 701b907d49e4c10685d72134fd36bd31 [0,2,0,0,0,0|2,0,0]=4 3697 B12R0.98 CCCNC(=O)N(C)CCC(=O)N 6f42cbe6399da5268f4304dcd1289e26 [0,2,0,0,0,0|2,0,0]=4 3698 B12R0.98 CCCNC(=O)N(C)CCC(=O)O 486a626b2fdb7207f1855e0017e58ce8 [0,2,0,0,0,0|1,0,0]=3 3699 B12R0.98 CCCNC(=S)N(C)CCC(=O)O 517155512210be277fe687d49ba3cab1 [0,2,0,0,0,0|1,1,0]=4 3700 B12R0.98 CCCOC(=O)C(C)NCC(=O)C 672f5ec22959ce06918ed4bc4677983f [0,2,0,0,0,0|2,0,0]=4 3701 B12R0.98 CCCOC(=O)C(C)NCC(=O)N 86e5a0550884a697867e5834f69c1ac7 [0,2,0,0,0,0|2,0,0]=4 3702 B12R0.98 CCCOC(=O)C(C)NCC(=O)O 8ea3df71ae08a8cf1487e3817f4cbd95 [0,2,0,0,0,0|1,0,0]=3 3703 B12R0.98 CCCOC(=O)C(C)OCC(=O)C 4e49e4bdee382074596c5cbf52c99f7b [0,2,0,0,0,0|2,0,0]=4 3704 B12R0.98 CCCOC(=O)C(C)OCC(=O)N 823780a4502c835a868aaddbe8851834 [0,2,0,0,0,0|2,0,0]=4 3705 B12R0.98 CCCOC(=O)C(C)OCC(=O)O 045f30aeafe8f7bf0cffae73089ea87f [0,2,0,0,0,0|1,0,0]=3 3706 B12R0.98 CCCOC(=O)C(C)OCS(=O)O 17d81a8b4646a5c18fe3ea71e9ebaf24 [0,2,0,0,0,0|2,0,0]=4 3707 B12R0.98 CCCOC(=O)[C@H](C)NCC(=O)N 211527b01fb5bf426ac4eedf3fa1b31a [0,2,0,0,0,0|2,0,0]=4 3708 B12R0.98 CCCOC(=O)[C@H](C)NCC(=O)O 4e59e24c45426b6cd155ed4ee4d74272 [0,2,0,0,0,0|1,0,0]=3 3709 B12R0.98 CCCOC(=O)[C@H](C)OCC(=O)N e8438c08a39e31aa8a04e02b15acd81a [0,2,0,0,0,0|2,0,0]=4 3710 B12R0.98 CCCOC(=O)[C@H](C)OCC(=O)O 879480f0c26c0f1e326602ee60f69420 [0,2,0,0,0,0|1,0,0]=3 3711 B12R0.98 CCOCC(=O)N(C)CCC(=O)N dea305bdaf9614edccb034d0d5d42aaa [0,2,0,0,0,0|2,0,0]=4 3712 B12R0.98 CCSCC(=O)N(C)CCC(=O)N fca934dd59236a8fdd94b6b75ca27bb7 [0,2,0,0,0,0|2,0,0]=4 3713 B12R0.98 CN(CCC(=O)N)C(=O)CCCF 8aea13e6e94d33cdb9e1625b407c05e2 [0,2,0,0,0,0|2,0,0]=4 3714 B12R0.98 CN(CCC(=O)N)C(=O)CCCS 78f96f0ac653608c904bb1ae8283dfb2 [0,2,0,0,0,0|2,0,0]=4 3715 B12R0.98 CN(CCC(=O)O)C(=O)NCCF 23b61ca035af0f32aea36506d3473859 [0,2,0,0,0,0|2,0,0]=4 3716 B12R0.98 CN(CCC(=O)O)C(=O)NCCN ea0e37b1b29c15e9c9f4ea3d2b0eadc9 [0,2,0,0,0,0|2,0,0]=4 3717 B12R0.98 CN(CCC(=O)O)C(=O)NCCO 74b74cf59069f0c2514bc93e45b2a361 [0,2,0,0,0,0|2,0,0]=4 3718 B12R0.98 CN(CCC(=O)O)C(=O)NCCS ec1bbc4a0c92f59b0de184b43610554f [0,2,0,0,0,0|2,0,0]=4 3719 B12R0.98 COCCC(=O)N(C)CCC(=O)N a6fdf7ddd11aeadb618920f814c749af [0,2,0,0,0,0|2,0,0]=4 3720 B12R0.98 CSCCC(=O)N(C)CCC(=O)N 43a8c74e9e16906756cffdc6f8827b0d [0,2,0,0,0,0|2,0,0]=4 3721 B12R0.98 CSCCN(C)C(C)CCC(=O)O 3ab5d159a0dcd04d062c4ddd9d5dbcc8 [0,2,0,0,0,0|2,0,0]=4 3722 B12R0.178 CCCC(=O)N(C)CCS(=O)(=O)O 843c277cdead57ed204beab775ffbc2e [0,2,0,0,0,0|2,0,0]=4 3723 B12R0.193 CCCC(=O)C(=O)NCC(=O)NO ecbfa7e70e74f88cf4b972d28b4ec676 [0,2,0,0,0,0|1,0,1]=4 3724 B12R0.193 CCCC(=O)C(=O)NCC(=O)OC a18b3f38cecd185f9ee52aae4db7781f [0,2,0,0,0,0|1,0,1]=4 3725 B12R0.193 CCCC(=O)N(C)CCC(=O)NC 55df7aad57a2cf586232a8ec6cd80c73 [0,2,0,0,0,0|2,0,0]=4 3726 B12R0.193 CCCC(=O)N(C)CCC(=O)OC d39d02b4422f5f3af7e7d0af409dab4e [0,2,0,0,0,0|1,0,0]=3 3727 B12R0.193 CCCN(C)C(C)CCC(=O)OC d05a582bb5c0cf7662b236d057b51440 [0,2,0,0,0,0|2,0,0]=4 3728 B12R0.193 CCNC(=O)C(C)NCC(=O)NO c32470cb002e3a5a773ea6cfd50baaa6 [0,2,0,0,0,0|2,0,0]=4 3729 B12R0.193 CCNC(=O)C(C)NCC(=O)OC ed91b434647618b897a79d832387a14f [0,2,0,0,0,0|2,0,0]=4 3730 B12R0.193 CCNC(=O)C(C)OCC(=O)OC 7cbb4825e5870640925c2715fdfc6a4f [0,2,0,0,0,0|2,0,0]=4 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9b39ce9e7b18ddaa5b3bcad14fb7a70a [0,2,0,0,0,0|2,0,0]=4 3742 B12R0.193 CCOC(=O)[C@@H](C)OCC(=O)OC d70f6542cd66796f2deb21df3250c6c3 [0,2,0,0,0,0|2,0,0]=4 3743 B12R0.193 CCOC(=O)[C@H](C)NCC(=O)NO d5d458c60d9dfeee3805a799784b8f51 [0,2,0,0,0,0|2,0,0]=4 3744 B12R0.193 CCOC(=O)[C@H](C)NCC(=O)OC f81be2f0f571310d675eaf8f6c260a95 [0,2,0,0,0,0|2,0,0]=4 3745 B12R0.193 CCOC(=O)[C@H](C)OCC(=O)OC 85512f6e89f06537e85cf5848166a559 [0,2,0,0,0,0|2,0,0]=4 3746 B12R0.193 COC(=O)CCN(C)C(=O)CCF 315b075a7f71e7c49aa8e5795aef8338 [0,2,0,0,0,0|2,0,0]=4 3747 B12R0.193 COC(=O)CCN(C)C(=O)CCO ebac6bcc2029d14914c64f74b7827263 [0,2,0,0,0,0|2,0,0]=4 3748 B12R0.193 COC(=O)CCN(C)C(=O)CCS 748282b9cbb84e38d2c4e109f78ca6d1 [0,2,0,0,0,0|2,0,0]=4 3749 B12R0.193 COC(=O)CCN(C)C(=O)CSC 443563bb0dd6f6f02a74fa6e96ac1f3c [0,2,0,0,0,0|2,0,0]=4 3750 B12R0.193 COCC(=O)N(C)CCC(=O)OC 2cc226f75972be031cfe00191eb3b541 [0,2,0,0,0,0|2,0,0]=4 3751 B12R0.417 CCOC(=O)C(C)(C)NCC(=O)O ad13e380f06d433ebe79ae7874775842 [0,2,0,0,0,0|2,0,0]=4 3752 B12R0.17 C#CC(OCC(=O)CCC)C(=O)O 866c9151e416b3923c4b9181a675ca2c [0,2,0,0,0,0|1,0,0]=3 3753 B12R0.17 C#CC(OCC(=O)NCC)C(=O)O a2823adf330314dd6d1a7a22dd9c75fe [0,2,0,0,0,0|2,0,0]=4 3754 B12R0.17 C#CC(OCC(=O)OCC)C(=O)O 81b98e7dbb75dbe906571cdb0d1dc2c8 [0,2,0,0,0,0|2,0,0]=4 3755 B12R0.17 C/C=C(\OCC(=O)CCC)/C(=O)O ac846564663e006c8f65925cf697296b [0,2,0,0,0,0|1,0,1]=4 3756 B12R0.17 C=CC(NCC(=O)CCC)C(=O)O 9f12f76433b2ef83927ecbdb6bb72458 [0,2,0,0,0,0|1,0,0]=3 3757 B12R0.17 C=CC(NCC(=O)COC)C(=O)O 0afaced1e4cefbc62a8d7fbf6a960df5 [0,2,0,0,0,0|2,0,0]=4 3758 B12R0.17 C=CC(NCC(=O)NCC)C(=O)O ff00e23eb51d8a01765951d99fb96c9f [0,2,0,0,0,0|2,0,0]=4 3759 B12R0.17 C=CC(NCC(=O)OCC)C(=O)O 811cc8b9694e30ecf0f754abcbf50fa5 [0,2,0,0,0,0|2,0,0]=4 3760 B12R0.17 C=C[C@H](NCC(=O)CCC)C(=O)O 7dd8ba60bd21e88e77c7bb52aecf0f5e [0,2,0,0,0,0|1,0,0]=3 3761 B12R0.17 C=C[C@H](NCC(=O)COC)C(=O)O e8ec65f16b884f156acaca84c3182401 [0,2,0,0,0,0|2,0,0]=4 3762 B12R0.17 C=C[C@H](NCC(=O)NCC)C(=O)O 3a8a3a5200924ba3bff76c4b60ef5a02 [0,2,0,0,0,0|2,0,0]=4 3763 B12R0.17 C=C[C@H](NCC(=O)OCC)C(=O)O d32619d5e837d421f41235723662b16f [0,2,0,0,0,0|2,0,0]=4 3764 B12R0.17 CCC(NCC(=O)COC)C(=O)O 257a68249d4c41f9341ca1cdc0d58ace [0,2,0,0,0,0|2,0,0]=4 3765 B12R0.17 CCCC(=O)CNC(C#N)C(=O)N 64ac9d746fc013f68b075d1a83ebf33d [0,2,0,0,0,0|2,0,0]=4 3766 B12R0.17 CCCC(=O)CNC(CC)C(=O)N 2e5327547928e6e5ca3b0c418ef7e80a [0,2,0,0,0,0|2,0,0]=4 3767 B12R0.17 CCCC(=O)CNC(CC)C(=O)O 0cc1985b51d021d22a07019b595e336b [0,2,0,0,0,0|1,0,0]=3 3768 B12R0.17 CCCC(=O)CNC(CCl)C(=O)O 919993d208380e9f2ca0bdb39cd997f0 [0,2,0,0,0,0|1,0,0]=3 3769 B12R0.17 CCCC(=O)CNC(CF)C(=O)O 2bd2f66978423d9a5733524780669dc3 [0,2,0,0,0,0|1,0,0]=3 3770 B12R0.17 CCCC(=O)CNC(CO)C(=O)N bd80216d17a40aa333c31e374baa010c [0,2,0,0,0,0|2,0,0]=4 3771 B12R0.17 CCCC(=O)CNC(CO)C(=O)O 440309aaae1a9023d64ed58c9a2956c9 [0,2,0,0,0,0|1,0,0]=3 3772 B12R0.17 CCCC(=O)CN[C@@H](CC)C(=O)N 568a44a9779c0d3f9cf57ba4479ecf97 [0,2,0,0,0,0|2,0,0]=4 3773 B12R0.17 CCCC(=O)CN[C@@H](CC)C(=O)O 66806cebe008187df197a66fd4e1c4bf [0,2,0,0,0,0|1,0,0]=3 3774 B12R0.17 CCCC(=O)CN[C@@H](CCl)C(=O)O a88e7df1e002ab090b67df2b2cfd9214 [0,2,0,0,0,0|1,0,0]=3 3775 B12R0.17 CCCC(=O)CN[C@@H](CO)C(=O)N 69b1d223585b7f5b10b9094832263a24 [0,2,0,0,0,0|2,0,0]=4 3776 B12R0.17 CCCC(=O)CN[C@@H](CO)C(=O)O f5a7832e748be6b87e65eda879550b41 [0,2,0,0,0,0|1,0,0]=3 3777 B12R0.17 CCCC(=O)CN[C@H](CC)C(=O)O 825ce640328dcb18f11ae9394a3c316c [0,2,0,0,0,0|1,0,0]=3 3778 B12R0.17 CCCC(=O)CN[C@H](CCl)C(=O)O 7f9a8f638c98ab216828dd53c7462dcc [0,2,0,0,0,0|1,0,0]=3 3779 B12R0.17 CCCC(=O)CN[C@H](CO)C(=O)O c463a12ed76183a815913fbd6fa07913 [0,2,0,0,0,0|1,0,0]=3 3780 B12R0.17 CCCC(=O)COC(CC)C(=O)N c70baffe2965e2f7c669140c87eb660f [0,2,0,0,0,0|2,0,0]=4 3781 B12R0.17 CCCC(=O)COC(CC)C(=O)O 5c7afbc617c3fb541964fd2c1efbf9d4 [0,2,0,0,0,0|1,0,0]=3 3782 B12R0.17 CCCC(=O)CO[C@@H](CC)C(=O)O feb01371eb312343b2874ad4d7ec10eb [0,2,0,0,0,0|1,0,0]=3 3783 B12R0.17 CCCC(=O)CO[C@H](CC)C(=O)O bc12a5375b3416be0f9660e9af14092f [0,2,0,0,0,0|1,0,0]=3 3784 B12R0.17 CCNC(=O)CNC(CC)C(=O)O 2cd2075e1b40660f5faee969dcf77ea4 [0,2,0,0,0,0|2,0,0]=4 3785 B12R0.17 CCNC(=O)CNC(CCl)C(=O)O 5c38115d53358059a8778212e3fb7de6 [0,2,0,0,0,0|2,0,0]=4 3786 B12R0.17 CCNC(=O)CNC(CF)C(=O)O 5031f1be60c8472d82705a433daf3e79 [0,2,0,0,0,0|2,0,0]=4 3787 B12R0.17 CCNC(=O)CNC(CO)C(=O)O fd39c1d81f7e356bc9e25f8fa60c0a72 [0,2,0,0,0,0|2,0,0]=4 3788 B12R0.17 CCNC(=O)CNC(CS)C(=O)O 75c06b5afd485671ebb549fcc8576fb3 [0,2,0,0,0,0|2,0,0]=4 3789 B12R0.17 CCNC(=O)CN[C@@H](CC)C(=O)O d2e7717c903e141a39d1e8e08aa18090 [0,2,0,0,0,0|2,0,0]=4 3790 B12R0.17 CCNC(=O)CN[C@@H](CCl)C(=O)O 6d0788ebb4e528915883909b34577369 [0,2,0,0,0,0|2,0,0]=4 3791 B12R0.17 CCNC(=O)CN[C@@H](CO)C(=O)O f2eddb3a9c98c43714ceb1a1d29bc31c [0,2,0,0,0,0|2,0,0]=4 3792 B12R0.17 CCNC(=O)CN[C@@H](CS)C(=O)O f1d927ff435f039793a8a5ec29e385b8 [0,2,0,0,0,0|2,0,0]=4 3793 B12R0.17 CCNC(=O)CN[C@H](CC)C(=O)O 716a5dcfbd39b6465625afd8a8bcfefb [0,2,0,0,0,0|2,0,0]=4 3794 B12R0.17 CCNC(=O)CN[C@H](CCl)C(=O)O 8d76349354fbd58fefc01ae2b31ac751 [0,2,0,0,0,0|2,0,0]=4 3795 B12R0.17 CCNC(=O)CN[C@H](CO)C(=O)O a4ec081bac9e647e39055e870bcb0645 [0,2,0,0,0,0|2,0,0]=4 3796 B12R0.17 CCNC(=O)CN[C@H](CS)C(=O)O b386e6855879e82bf8cf21e42695afeb [0,2,0,0,0,0|2,0,0]=4 3797 B12R0.17 CCNC(=O)COC(CC)C(=O)O 9c389b5e8d6b4a8fd5ff4dcad7b0e3b0 [0,2,0,0,0,0|2,0,0]=4 3798 B12R0.17 CCNC(=O)COC(CF)C(=O)O 18d890e0c9f9d74fd9fb39323c47f4c7 [0,2,0,0,0,0|2,0,0]=4 3799 B12R0.17 CCNC(=O)CO[C@@H](CC)C(=O)O 5380de5fdf46b2e3392675ffa174919a [0,2,0,0,0,0|2,0,0]=4 3800 B12R0.17 CCNC(=O)CO[C@H](CC)C(=O)O 1e34fb607c2d79562e17325c6b7e3ce1 [0,2,0,0,0,0|2,0,0]=4 3801 B12R0.17 CCNC(=O)CO[C@H](CF)C(=O)O 53c3bb8a1f0f72b50f511822557a3d4a [0,2,0,0,0,0|2,0,0]=4 3802 B12R0.17 CCOC(=O)CNC(CC)C(=O)O d3c73711cc2741c25bc78364b0940afe [0,2,0,0,0,0|2,0,0]=4 3803 B12R0.17 CCOC(=O)CNC(CCl)C(=O)O 5f657f73fa06fdfd99f72a466ac914a9 [0,2,0,0,0,0|2,0,0]=4 3804 B12R0.17 CCOC(=O)CNC(CF)C(=O)O c0decea787cbc6acadf91294c3b2ec0f [0,2,0,0,0,0|2,0,0]=4 3805 B12R0.17 CCOC(=O)CNC(CO)C(=O)O ca32cf03e777ae501d7cbcd856e9d01e [0,2,0,0,0,0|2,0,0]=4 3806 B12R0.17 CCOC(=O)CNC(CS)C(=O)O 7cf588f2ac0ade6dff18e2ad427113c7 [0,2,0,0,0,0|2,0,0]=4 3807 B12R0.17 CCOC(=O)CN[C@@H](CC)C(=O)O e7b46dcc7ffdb00bb09008f3ffae75ab [0,2,0,0,0,0|2,0,0]=4 3808 B12R0.17 CCOC(=O)CN[C@@H](CCl)C(=O)O 061a1d200e08365a689b9c20c2f945cc [0,2,0,0,0,0|2,0,0]=4 3809 B12R0.17 CCOC(=O)CN[C@@H](CO)C(=O)O d598ae770efb5f75e53cd2cda29bee05 [0,2,0,0,0,0|2,0,0]=4 3810 B12R0.17 CCOC(=O)CN[C@@H](CS)C(=O)O c5a0e2648ed60d8bb1f079ff1dfa961e [0,2,0,0,0,0|2,0,0]=4 3811 B12R0.17 CCOC(=O)CN[C@H](CC)C(=O)O 6ad264a9ca10eaa38fb0ddcab0763bcc [0,2,0,0,0,0|2,0,0]=4 3812 B12R0.17 CCOC(=O)CN[C@H](CCl)C(=O)O 3c2fab5712d3ba4b5be68fdf2d1ab236 [0,2,0,0,0,0|2,0,0]=4 3813 B12R0.17 CCOC(=O)CN[C@H](CO)C(=O)O 8276e0c127ff5eadff110e0ec078cab8 [0,2,0,0,0,0|2,0,0]=4 3814 B12R0.17 CCOC(=O)CN[C@H](CS)C(=O)O d15b40083388ff05132419d0c3e09844 [0,2,0,0,0,0|2,0,0]=4 3815 B12R0.17 CCOC(=O)COC(CC)C(=O)O 303473102188f525504697cd3ec76eac [0,2,0,0,0,0|2,0,0]=4 3816 B12R0.17 CCOC(=O)CO[C@@H](CC)C(=O)O b71697a550c9c7a927f6291fbcb2a8fb [0,2,0,0,0,0|2,0,0]=4 3817 B12R0.17 CCOC(=O)CO[C@H](CC)C(=O)O 56559f9c71df4fc2abd38e8d5170d9a5 [0,2,0,0,0,0|2,0,0]=4 3818 B12R0.17 CCOC(=O)CO[C@H](CF)C(=O)O 3cfb07189742a35c883b0036e24d187e [0,2,0,0,0,0|2,0,0]=4 3819 B12R0.17 CC[C@@H](NCC(=O)COC)C(=O)O 694b99c6fc1301b081c9a6152382e21a [0,2,0,0,0,0|2,0,0]=4 3820 B12R0.17 CC[C@H](NCC(=O)COC)C(=O)O 5e98aed191c8cff9ab916187432f0530 [0,2,0,0,0,0|2,0,0]=4 3821 B12R0.17 COCC(=O)CNC(CCl)C(=O)O 614ac50311142a1b0b74baf06d3e7ce4 [0,2,0,0,0,0|2,0,0]=4 3822 B12R0.17 COCC(=O)CN[C@@H](CCl)C(=O)O 7b1c841af838004bfd5b049fc278e96a [0,2,0,0,0,0|2,0,0]=4 3823 B12R0.17 COCC(=O)CN[C@H](CCl)C(=O)O b790e946f7ffa6eeb3a87e901e9788f5 [0,2,0,0,0,0|2,0,0]=4 3824 B12R0.48 CC(CNC(=O)NCCF)C(=O)O e4b2326e4c9b4e8b3fba65fb91bbce60 [0,2,0,0,0,0|2,0,0]=4 3825 B12R0.48 CC(CNC(=O)NCCN)C(=O)O dcc56157424a1e97a68378fe1ae79d42 [0,2,0,0,0,0|2,0,0]=4 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[0,2,0,0,0,0|2,0,0]=4 3837 B12R0.48 CCCNC(=O)CN[C@H](C)C(=O)O b1a3839da8470efcb50f7ecaf2e817b7 [0,2,0,0,0,0|1,0,0]=3 3838 B12R0.48 CCCNC(=O)COC(C)C(=O)C 8463fc65fd8bf3e884d1fc41cb72255d [0,2,0,0,0,0|2,0,0]=4 3839 B12R0.48 CCCNC(=O)COC(C)C(=O)N 6f4e810122b7801178c37c7866872c97 [0,2,0,0,0,0|2,0,0]=4 3840 B12R0.48 CCCNC(=O)COC(C)C(=O)O 49dd971e168773e989d7091b43021a1b [0,2,0,0,0,0|1,0,0]=3 3841 B12R0.48 CCCNC(=O)CO[C@@H](C)C(=O)N bdfe7c4b91429b554400f5ded824d23c [0,2,0,0,0,0|2,0,0]=4 3842 B12R0.48 CCCNC(=O)CO[C@@H](C)C(=O)O 85bc50650af10ea2a68f52a55a9ac931 [0,2,0,0,0,0|1,0,0]=3 3843 B12R0.48 CCCNC(=O)CO[C@H](C)C(=O)N fcc7e9133a36fc60b1a95d500faf3485 [0,2,0,0,0,0|2,0,0]=4 3844 B12R0.48 CCCNC(=O)CO[C@H](C)C(=O)O de1c08cae77b0c3fc723b049fbcdee0c [0,2,0,0,0,0|1,0,0]=3 3845 B12R0.48 CCCNC(=O)NCC(C)C(=O)O 80392a46a4bf54b61001b3f8cb026ec4 [0,2,0,0,0,0|1,0,0]=3 3846 B12R0.48 CCCNC(=O)NCC(F)C(=O)O a0219c53676768be7d03277b394276ef [0,2,0,0,0,0|1,0,0]=3 3847 B12R0.48 CCCNC(=O)NCC(O)C(=O)O 92dbfc410b326288c9664e9e0a8c78ce [0,2,0,0,0,0|1,0,0]=3 3848 B12R0.48 CCCNC(=O)NC[C@@H](C)C(=O)O dde0edd54ebf234bf1f95dac6a826f97 [0,2,0,0,0,0|1,0,0]=3 3849 B12R0.48 CCCNC(=O)NC[C@@H](O)C(=O)O 29ca93331728da0b407fcbed9195e749 [0,2,0,0,0,0|1,0,0]=3 3850 B12R0.48 CCCNC(=O)NC[C@H](C)C(=O)O 0463df8e36d52939bb4f7b555d78181b [0,2,0,0,0,0|1,0,0]=3 3851 B12R0.48 CCCNC(=O)NC[C@H](O)C(=O)O cdf2db97518f14abdf28ab4cfb9db366 [0,2,0,0,0,0|1,0,0]=3 3852 B12R0.48 CCCNC(=S)NCC(C)C(=O)O c9f1021ca27f991e944da7410f4a78f0 [0,2,0,0,0,0|1,1,0]=4 3853 B12R0.48 CCCNC(=S)NCC(F)C(=O)O abad6d460a8c05f3cf9fd2f2e3f1031e [0,2,0,0,0,0|1,1,0]=4 3854 B12R0.48 CCCNC(=S)NCC(O)C(=O)O 78b92c1ef2d4e641e91a104015367bd6 [0,2,0,0,0,0|1,1,0]=4 3855 B12R0.48 CCCNC(=S)NC[C@@H](C)C(=O)O d2121ca6ef0f18e0de6c7d953afbf1d5 [0,2,0,0,0,0|1,1,0]=4 3856 B12R0.48 CCCNC(=S)NC[C@@H](O)C(=O)O 8636564de3229743bd063eb3eb0775a6 [0,2,0,0,0,0|1,1,0]=4 3857 B12R0.48 CCCNC(=S)NC[C@H](C)C(=O)O 76eaaa943e0ad35a2d4f6debef53c609 [0,2,0,0,0,0|1,1,0]=4 3858 B12R0.48 CCCNC(=S)NC[C@H](O)C(=O)O bc0dbd9847d2989e90d986933fad08fd [0,2,0,0,0,0|1,1,0]=4 3859 B12R0.48 CCCOC(=O)CNC(C)C(=O)N 9195b33a480b6030ae8bb4d11c64546e [0,2,0,0,0,0|2,0,0]=4 3860 B12R0.48 CCCOC(=O)CNC(C)C(=O)O b59e1082681fb2686f3d39f0b66067e2 [0,2,0,0,0,0|1,0,0]=3 3861 B12R0.48 CCCOC(=O)CNC(O)C(=O)O 6559465a4debfff3298aa8dc5299a494 [0,2,0,0,0,0|1,0,0]=3 3862 B12R0.48 CCCOC(=O)CN[C@@H](C)C(=O)N f156a22bdf497e5adf18ea3ef8a53231 [0,2,0,0,0,0|2,0,0]=4 3863 B12R0.48 CCCOC(=O)CN[C@@H](C)C(=O)O 43f425670a6824d5437ca9a0bf27099b [0,2,0,0,0,0|1,0,0]=3 3864 B12R0.48 CCCOC(=O)CN[C@H](C)C(=O)N a2cfeb37ba04fe651403adb2011941a3 [0,2,0,0,0,0|2,0,0]=4 3865 B12R0.48 CCCOC(=O)CN[C@H](C)C(=O)O 34972c7c1b8cd5d3d37bf75589dc4925 [0,2,0,0,0,0|1,0,0]=3 3866 B12R0.48 CCCOC(=O)COC(C)C(=O)C 806a539c67983ca9f455c080499f8c58 [0,2,0,0,0,0|2,0,0]=4 3867 B12R0.48 CCCOC(=O)COC(C)C(=O)N 4ba226122864a7ed3974607f101f4cbe [0,2,0,0,0,0|2,0,0]=4 3868 B12R0.48 CCCOC(=O)COC(C)C(=O)O c03057786eb738dc098a7fd95292929d [0,2,0,0,0,0|1,0,0]=3 3869 B12R0.48 CCCOC(=O)CO[C@@H](C)C(=O)N e8f526977a302708e16d22157e47cc4d [0,2,0,0,0,0|2,0,0]=4 3870 B12R0.48 CCCOC(=O)CO[C@@H](C)C(=O)O d6dab17a7a0a48d94c42a55a468e42c8 [0,2,0,0,0,0|1,0,0]=3 3871 B12R0.48 CCCOC(=O)CO[C@H](C)C(=O)N 2069865eb7fff7e9ebb6a8526177a143 [0,2,0,0,0,0|2,0,0]=4 3872 B12R0.48 CCCOC(=O)CO[C@H](C)C(=O)O 324191c9f7b23d7a2c9fdda84743ed3c [0,2,0,0,0,0|1,0,0]=3 3873 B12R0.48 CSCCC(=O)CNC(C)C(=O)N eb0bd4f942b040c95dd2931f968deeb4 [0,2,0,0,0,0|2,0,0]=4 3874 B12R0.48 CSCCC(=O)CNC(C)C(=O)O 42521e7547633f2b43c8f3522ede3465 [0,2,0,0,0,0|1,0,0]=3 3875 B12R0.48 CSCCC(=O)CNC(O)C(=O)O 09ab7a107549ca50af5eaf539033f311 [0,2,0,0,0,0|1,0,0]=3 3876 B12R0.48 CSCCC(=O)CN[C@@H](C)C(=O)N 71dc303f639798c89636a0eb501194b3 [0,2,0,0,0,0|2,0,0]=4 3877 B12R0.48 CSCCC(=O)CN[C@@H](C)C(=O)O 6e77cf36a0c9646aef176f950756dc8a [0,2,0,0,0,0|1,0,0]=3 3878 B12R0.48 CSCCC(=O)CN[C@H](C)C(=O)N d032f872b42acb756cdb52e224170b09 [0,2,0,0,0,0|2,0,0]=4 3879 B12R0.48 CSCCC(=O)CN[C@H](C)C(=O)O f4d8510a1030e8d76ebc7d1fbf13d24a [0,2,0,0,0,0|1,0,0]=3 3880 B12R0.48 CSCCC(=O)COC(C)C(=O)C 797c9c1e58edb68cb15c32b7f5ee02a7 [0,2,0,0,0,0|2,0,0]=4 3881 B12R0.48 CSCCC(=O)COC(C)C(=O)N 82e93800b49fe6aacff469702330ad87 [0,2,0,0,0,0|2,0,0]=4 3882 B12R0.48 CSCCC(=O)CO[C@@H](C)C(=O)N c37cabe1b7787ab719882a71a4dce611 [0,2,0,0,0,0|2,0,0]=4 3883 B12R0.48 CSCCC(=O)CO[C@H](C)C(=O)N dd375bfb2a52a80b76069aca43f38e97 [0,2,0,0,0,0|2,0,0]=4 3884 B12R0.48 C[C@@H](CNC(=O)NCCF)C(=O)O 4e9f17557d4dbaea8fa7c8abde209dbe [0,2,0,0,0,0|2,0,0]=4 3885 B12R0.48 C[C@@H](CNC(=O)NCCN)C(=O)O ae8ec04c101d2453ef756156aa950d09 [0,2,0,0,0,0|2,0,0]=4 3886 B12R0.48 C[C@@H](CNC(=O)NCCO)C(=O)O 9be945529fb047b2700eeb6e00e0df60 [0,2,0,0,0,0|2,0,0]=4 3887 B12R0.48 C[C@@H](CNC(=O)NCCS)C(=O)O 49054eb0f009e0713b1ccf6a75716056 [0,2,0,0,0,0|2,0,0]=4 3888 B12R0.48 C[C@H](CNC(=O)NCCF)C(=O)O 8518a7eb6b10c6022f4a16f510ee53a5 [0,2,0,0,0,0|2,0,0]=4 3889 B12R0.48 C[C@H](CNC(=O)NCCN)C(=O)O 2485e34be374a8ef5e296e46e75ec345 [0,2,0,0,0,0|2,0,0]=4 3890 B12R0.48 C[C@H](CNC(=O)NCCO)C(=O)O 1bb107047c5c356fffcc1864f4b2b8ac [0,2,0,0,0,0|2,0,0]=4 3891 B12R0.48 C[C@H](CNC(=O)NCCS)C(=O)O 90ed665da3975a2dbce1fdf0e49b277d [0,2,0,0,0,0|2,0,0]=4 3892 B12R0.48 NCCNC(=O)NCC(F)C(=O)O ec7d62483f2cdb5cf049e1560fb82a09 [0,2,0,0,0,0|2,0,0]=4 3893 B12R0.48 NCCNC(=O)NCC(O)C(=O)O b1b9d471740ea832905c446f700fe7b3 [0,2,0,0,0,0|2,0,0]=4 3894 B12R0.48 NCCNC(=O)NC[C@@H](O)C(=O)O ab4b3e8a293d942180687723c6a26b6b [0,2,0,0,0,0|2,0,0]=4 3895 B12R0.48 NCCNC(=O)NC[C@H](O)C(=O)O 74b10d46cfcd29dbf33e9d78201c427b [0,2,0,0,0,0|2,0,0]=4 3896 B12R0.48 O=C(NCCF)NCC(F)C(=O)O 3123a4bb3d206d7fd31f6fa07f955fde [0,2,0,0,0,0|2,0,0]=4 3897 B12R0.48 O=C(NCCF)NCC(O)C(=O)O 47d6f8d407d929af82cffd2c032c704c [0,2,0,0,0,0|2,0,0]=4 3898 B12R0.48 O=C(NCCF)NC[C@@H](O)C(=O)O edff797e35b69e84052a26147d1065bd [0,2,0,0,0,0|2,0,0]=4 3899 B12R0.48 O=C(NCCF)NC[C@H](O)C(=O)O 82f1bcaa4e16389772e646c0fec6ef58 [0,2,0,0,0,0|2,0,0]=4 3900 B12R0.48 O=C(NCCO)NCC(F)C(=O)O 425397d339f62c41660a6a5ecde5bbf7 [0,2,0,0,0,0|2,0,0]=4 3901 B12R0.48 O=C(NCCO)NCC(O)C(=O)O 2f56ba2d39a208bdb9a756fcb544295e [0,2,0,0,0,0|2,0,0]=4 3902 B12R0.48 O=C(NCCO)NC[C@@H](O)C(=O)O 5509bb4a29609829935bc223225f1cb3 [0,2,0,0,0,0|2,0,0]=4 3903 B12R0.48 O=C(NCCO)NC[C@H](O)C(=O)O 38bb3a641aa97575c24f0be58317f942 [0,2,0,0,0,0|2,0,0]=4 3904 B12R0.48 O=C(NCCS)NCC(F)C(=O)O fefbf7cf5579902f930bcbd873b18140 [0,2,0,0,0,0|2,0,0]=4 3905 B12R0.48 O=C(NCCS)NCC(O)C(=O)O d26596614fda8c7faac6461a9597e3ef [0,2,0,0,0,0|2,0,0]=4 3906 B12R0.48 O=C(NCCS)NC[C@@H](O)C(=O)O ce65dd7a7dbd6f728b217b49e6856227 [0,2,0,0,0,0|2,0,0]=4 3907 B12R0.48 O=C(NCCS)NC[C@H](O)C(=O)O 3886165ada05480668dc60cd77d69a6d [0,2,0,0,0,0|2,0,0]=4 3908 B12R0.79 CCCC(=O)CNC(C)C(=O)NC ea53b5d59192dc28e0c1c24c9a197eb5 [0,2,0,0,0,0|2,0,0]=4 3909 B12R0.79 CCCC(=O)COC(C)C(=O)OC 9dc77c3308141183eebc3e3af279a5ab [0,2,0,0,0,0|1,0,0]=3 3910 B12R0.79 CCCC(=O)CO[C@@H](C)C(=O)OC d95d9068cc00225432f804104690e0bf [0,2,0,0,0,0|1,0,0]=3 3911 B12R0.79 CCCC(=O)CO[C@H](C)C(=O)OC 9be965e795e6cbc736611ac10782f275 [0,2,0,0,0,0|1,0,0]=3 3912 B12R0.79 CCCC(=O)NCC(C)C(=O)OC 9a709d8d3c7b795eb5ecdf5b2ccc9973 [0,2,0,0,0,0|1,0,0]=3 3913 B12R0.79 CCCC(=S)OCC(C)C(=O)OC 94113b7cb415466f30e699ef84429459 [0,2,0,0,0,0|1,1,0]=4 3914 B12R0.79 CCCC(=S)OC[C@@H](C)C(=O)OC 511513de6dd00057c8f9d16a7bfdcbbf [0,2,0,0,0,0|1,1,0]=4 3915 B12R0.79 CCCC(=S)OC[C@H](C)C(=O)OC e4e31b16f9e7eb755722a20194730fb8 [0,2,0,0,0,0|1,1,0]=4 3916 B12R0.79 CCCN(C)CCC(C)C(=O)OC 2d6f777b08baf5da8214ca4a741cf898 [0,2,0,0,0,0|2,0,0]=4 3917 B12R0.79 CCNC(=O)CNC(C)C(=O)OC f91dfb57ba7d1b2f003de23bfb80d97b [0,2,0,0,0,0|2,0,0]=4 3918 B12R0.79 CCNC(=O)CN[C@@H](C)C(=O)OC e4894d13cd14b01528d63375a87844e7 [0,2,0,0,0,0|2,0,0]=4 3919 B12R0.79 CCNC(=O)CN[C@H](C)C(=O)OC 9b2cc71f92d6a5ad9a7ee671f470030b [0,2,0,0,0,0|2,0,0]=4 3920 B12R0.79 CCNC(=O)COC(C)C(=O)OC adcf875c0eff40dc734ff85bb50e9054 [0,2,0,0,0,0|2,0,0]=4 3921 B12R0.79 CCNC(=O)CO[C@@H](C)C(=O)OC 3d3d9c8360df74e034d9a8e6af3d59b9 [0,2,0,0,0,0|2,0,0]=4 3922 B12R0.79 CCNC(=O)CO[C@H](C)C(=O)OC c6314e50537dfda1d81f6cb5acc35708 [0,2,0,0,0,0|2,0,0]=4 3923 B12R0.79 CCOC(=O)CCN(C)C(=O)CO fd4a84c0601a541457b9b956584def9b [0,2,0,0,0,0|2,0,0]=4 3924 B12R0.79 CCOC(=O)CNC(C)C(=O)OC b3715f9e62823c9bec48c71f4bbd4f79 [0,2,0,0,0,0|2,0,0]=4 3925 B12R0.79 CCOC(=O)CN[C@@H](C)C(=O)OC 8042cd915bdb7911b705fc8efce8aa51 [0,2,0,0,0,0|2,0,0]=4 3926 B12R0.79 CCOC(=O)CN[C@H](C)C(=O)OC 5d3351ea7554420649fd65bc075c548c [0,2,0,0,0,0|2,0,0]=4 3927 B12R0.79 CCOC(=O)COC(C)C(=O)OC 988cb18ae6b14c0b54f63d81ab253380 [0,2,0,0,0,0|2,0,0]=4 3928 B12R0.79 CCOC(=O)CO[C@@H](C)C(=O)OC c7c995104efbe5796bb1ad0539bdd6c2 [0,2,0,0,0,0|2,0,0]=4 3929 B12R0.79 CCOC(=O)CO[C@H](C)C(=O)OC 17b0c3318868478b6bc5965cf3d0294f [0,2,0,0,0,0|2,0,0]=4 3930 B12R0.79 COC(=O)C(C)CNC(=O)CCF 728e7037fafc4fb6acfa2e681b2cea88 [0,2,0,0,0,0|2,0,0]=4 3931 B12R0.79 COC(=O)C(C)CNC(=O)CCO 01667c8a44529f69f0aa9ffa9d683370 [0,2,0,0,0,0|2,0,0]=4 3932 B12R0.79 COC(=O)C(C)CNC(=O)CCS 54aec5bf4481b58c259325f68e6facd9 [0,2,0,0,0,0|2,0,0]=4 3933 B12R0.79 COC(=O)C(C)CNC(=O)CSC f7e73bcca1e048b08bb549828d1e2a22 [0,2,0,0,0,0|2,0,0]=4 3934 B12R0.79 COCC(=O)NCC(C)C(=O)OC 5ed9e90935713d1447d5bb6405796717 [0,2,0,0,0,0|2,0,0]=4 3935 B12R0.236 CCC(C)C(=O)CNC(C)C(=O)N 3b078a92e2aecf76fd22ccc2dec1e41e [0,2,0,0,0,0|2,0,0]=4 3936 B12R0.236 CCC(C)C(=O)CNC(C)C(=O)O 07cdf177088379d8db6caae4957e22f4 [0,2,0,0,0,0|1,0,0]=3 3937 B12R0.236 CCC(C)C(=O)CNC(O)C(=O)O a004bcc82c2b28375779d20432569385 [0,2,0,0,0,0|1,0,0]=3 3938 B12R0.236 CCC(C)C(=O)CN[C@@H](C)C(=O)N a68dabe8ca94aa5a34ef6eef591ae78f [0,2,0,0,0,0|2,0,0]=4 3939 B12R0.236 CCC(C)C(=O)CN[C@@H](C)C(=O)O 26c50b85fad777d3c459598c7a5b35ff [0,2,0,0,0,0|1,0,0]=3 3940 B12R0.236 CCC(C)C(=O)CN[C@H](C)C(=O)N 440b7b1ddda2ee0eeab03ffeb8821577 [0,2,0,0,0,0|2,0,0]=4 3941 B12R0.236 CCC(C)C(=O)CN[C@H](C)C(=O)O 398c5ae2a24c1ebc9beb05606e6fd514 [0,2,0,0,0,0|1,0,0]=3 3942 B12R0.236 CCC(C)C(=O)COC(C)C(=O)C 0461dcbbc665e714e768c670a65c9be0 [0,2,0,0,0,0|2,0,0]=4 3943 B12R0.236 CCC(C)C(=O)COC(C)C(=O)N fed64ab2ab720e912ea340a086af89a2 [0,2,0,0,0,0|2,0,0]=4 3944 B12R0.236 CCC(C)C(=O)CO[C@@H](C)C(=O)N 71d330fde9056eb37e3d8658a5b7083e [0,2,0,0,0,0|2,0,0]=4 3945 B12R0.236 CCC(C)C(=O)CO[C@H](C)C(=O)N 1d79553e01b4c66adb82ae2a75db141c [0,2,0,0,0,0|2,0,0]=4 3946 B12R0.236 CCN(C)C(=O)CNC(C)C(=O)O a640ae4eb306de1e8712a04f9e7da919 [0,2,0,0,0,0|2,0,0]=4 3947 B12R0.236 CCN(C)C(=O)CNC(O)C(=O)O 5f2bbe862af663a85241bd844feda99e [0,2,0,0,0,0|2,0,0]=4 3948 B12R0.236 CCN(C)C(=O)CN[C@@H](C)C(=O)O 8f96d8855e16fda9096cf967c3f321a1 [0,2,0,0,0,0|2,0,0]=4 3949 B12R0.236 CCN(C)C(=O)CN[C@H](C)C(=O)O 78d559effd5736f68b333ba56a28281c [0,2,0,0,0,0|2,0,0]=4 3950 B12R0.236 CCN(C)C(=O)NCC(C)C(=O)O 41058f2a3932ac514df46285c3fa9a8b [0,2,0,0,0,0|2,0,0]=4 3951 B12R0.236 CCN(C)C(=O)NCC(F)C(=O)O d246909bc3d4f7ff51ab8a12c504cb44 [0,2,0,0,0,0|2,0,0]=4 3952 B12R0.236 CCN(C)C(=O)NCC(O)C(=O)O cd5a1aa03a16f5f9057338fdece0bed4 [0,2,0,0,0,0|2,0,0]=4 3953 B12R0.236 CCN(C)C(=O)NC[C@@H](C)C(=O)O 76564211918598f7c0c3d1b6676913b3 [0,2,0,0,0,0|2,0,0]=4 3954 B12R0.236 CCN(C)C(=O)NC[C@@H](O)C(=O)O 3d5ab8ec48b6d7fd2dcd7dfbcd192beb [0,2,0,0,0,0|2,0,0]=4 3955 B12R0.236 CCN(C)C(=O)NC[C@H](C)C(=O)O 1888b552b55980b7e3920d9b57cd19e7 [0,2,0,0,0,0|2,0,0]=4 3956 B12R0.236 CCN(C)C(=O)NC[C@H](O)C(=O)O 798e0e92360580194f5fedac2752b6b4 [0,2,0,0,0,0|2,0,0]=4 3957 B12R0.266 CCCC(=O)CNC(C)(C)C(=O)C 617d6fb99699320993e6faf785666722 [0,2,0,0,0,0|2,0,0]=4 3958 B12R0.266 CCCC(=O)CNC(C)(C)C(=O)N d14a4137ecb18e9e8d2848f80a659d8d [0,2,0,0,0,0|2,0,0]=4 3959 B12R0.266 CCCC(=O)CNC(C)(C)C(=O)O 4869021f3da3bb67bbcd86824d15b5d9 [0,2,0,0,0,0|1,0,0]=3 3960 B12R0.266 CCCC(=O)NCC(C)(C)C(=O)N e6a8f6291bbab112acb6b8bc6eaec77f [0,2,0,0,0,0|2,0,0]=4 3961 B12R0.266 CCCC(=S)OCC(C)(C)C(=O)O 8be8185266c001f23e586edfb9fda447 [0,2,0,0,0,0|1,1,0]=4 3962 B12R0.266 CCCC(=S)OCC(C)(O)C(=O)O 1730da2dadf912918befdcf2e24b5a05 [0,2,0,0,0,0|1,1,0]=4 3963 B12R0.266 CCCC(=S)OC[C@@](C)(O)C(=O)O b475d0c094cbfd945656951faa184c7c [0,2,0,0,0,0|1,1,0]=4 3964 B12R0.266 CCCC(=S)OC[C@](C)(O)C(=O)O 1a923d0cec28c575d09898b40c407b78 [0,2,0,0,0,0|1,1,0]=4 3965 B12R0.266 CCNC(=O)CNC(C)(C)C(=O)O 45870fc68acc20b03cd6bf29588656c4 [0,2,0,0,0,0|2,0,0]=4 3966 B12R0.266 CCOC(=O)CNC(C)(C)C(=O)O f3ce14bf82fb99a0f227a923138edfba [0,2,0,0,0,0|2,0,0]=4 3967 B12R0.90 CCC(C)C(=O)CNCS(=O)(=O)O 64b385d6b70921e74f189c1b2d9a1654 [0,2,0,0,0,0|2,0,0]=4 3968 B12R0.90 CCC(O)C(=O)NCCS(=O)(=O)O 39fe2cf393a32ebece7a6e2d83a01114 [0,2,0,0,0,0|2,0,0]=4 3969 B12R0.90 CC[C@@H](O)C(=O)NCCS(=O)(=O)O acf84e43b34b659617f04b70ff750376 [0,2,0,0,0,0|2,0,0]=4 3970 B12R0.90 CC[C@H](O)C(=O)NCCS(=O)(=O)O 2e8940805b89297d104e9a6b830ba1ff [0,2,0,0,0,0|2,0,0]=4 3971 B12R0.90 CC[C@H](S)C(=O)NCCS(=O)(=O)O a65fc67719a4d88bf5dc31a5d8c6e1ab [0,2,0,0,0,0|2,0,0]=4 3972 B12R0.156 C=C(CC)C(=O)NCCC(=O)NO 6a252436e52b50308487e252aa936335 [0,2,0,0,0,0|1,0,1]=4 3973 B12R0.156 C=C(CC)C(=O)NCCC(=O)OC 5e8f67c4cfd27315ed40454002673acc [0,2,0,0,0,0|1,0,1]=4 3974 B12R0.156 CCC(=O)C(=O)NCCC(=O)NO f330a12e9319bcc4239322281d84e4e9 [0,2,0,0,0,0|1,0,1]=4 3975 B12R0.156 CCC(=O)C(=O)NCCC(=O)OC 3a3b33d4935fd4c7ba63265a98cddc31 [0,2,0,0,0,0|1,0,1]=4 3976 B12R0.156 CCC(=O)CCCC(=O)N(C)CC 54d3bc3f9dfb4da9a2164f8a0c1d30e8 [0,2,0,0,0,0|2,0,0]=4 3977 B12R0.156 CCC(=O)COCC(=O)C(C)CC 086724a32277c22f22ece6ab1be25be3 [0,2,0,0,0,0|2,0,0]=4 3978 B12R0.156 CCC(C)C(=O)CNCC(=O)NC bb1466efeaefbd5c97652c74ad5797d3 [0,2,0,0,0,0|2,0,0]=4 3979 B12R0.156 CCC(C)C(=O)CNCC(=O)NO 914c939280f1c1f3aa1360d3e87a6519 [0,2,0,0,0,0|1,0,0]=3 3980 B12R0.156 CCC(C)C(=O)CNCC(=O)OC fe0b24ccd1f2b3eff6fca05a25eb3de4 [0,2,0,0,0,0|1,0,0]=3 3981 B12R0.156 CCC(C)C(=O)COCC(=O)NC 19e0c53a1ade3421e73084c4c3d8d3d5 [0,2,0,0,0,0|2,0,0]=4 3982 B12R0.156 CCC(C)C(=O)COCC(=O)OC ea81bd53fd3a28a91f4e132c2d1e59cc [0,2,0,0,0,0|1,0,0]=3 3983 B12R0.156 CCC(C)N(C)CCCC(=O)OC 7cad897c480ef19c4300ae5ad37b956b [0,2,0,0,0,0|2,0,0]=4 3984 B12R0.156 CCC(O)C(=O)NCCC(=O)NC 4ba4b134b6515e84ccb6ae72a4f23d8f [0,2,0,0,0,0|2,0,0]=4 3985 B12R0.156 CCC(O)C(=O)NCCC(=O)NO 09095fbddbb15ca9c78bbbfa4e724617 [0,2,0,0,0,0|1,0,0]=3 3986 B12R0.156 CCC(O)C(=O)NCCC(=O)OC 050d76e2c1cf7f040a26d9e3f699a31e [0,2,0,0,0,0|1,0,0]=3 3987 B12R0.156 CCN(C)C(=O)CCCC(=O)NC 6c534183da392d11a34a693f45daad44 [0,2,0,0,0,0|2,0,0]=4 3988 B12R0.156 CCN(C)C(=O)CCCC(=O)OC 663dfc47e188307aba02643dd30b216c [0,2,0,0,0,0|1,0,0]=3 3989 B12R0.156 CCN(C)C(=O)CNCC(=O)CO e7b895f2e97a2dcf83351046d50109fb [0,2,0,0,0,0|2,0,0]=4 3990 B12R0.156 CCN(C)C(=O)CNCC(=O)NO 644ba73db23a75352dbc3d9877fb1ecf [0,2,0,0,0,0|2,0,0]=4 3991 B12R0.156 CCN(C)C(=O)CNCC(=O)OC a1214d5eb13a4e078e66f73488674d00 [0,2,0,0,0,0|2,0,0]=4 3992 B12R0.156 CCN(C)C(=O)COCC(=O)OC 5492d49ba0c95f6f96ccc244b48b2d0a [0,2,0,0,0,0|2,0,0]=4 3993 B12R0.156 CCN(C)C(=O)CSCC(=O)OC 898eb3154f1b7733449262952102668c [0,2,0,0,0,0|2,0,0]=4 3994 B12R0.156 CCN(C)C(=O)NCCC(=O)NO e98c01cdc72855f1a924baf2c74529bc [0,2,0,0,0,0|2,0,0]=4 3995 B12R0.156 CCN(C)C(=O)NCCC(=O)OC fe96a5d15a8fcd69c6d454788a637634 [0,2,0,0,0,0|2,0,0]=4 3996 B12R0.156 CC[C@@H](O)C(=O)NCCC(=O)NC 9334d503af5fc2dc5b388e1c7ada4f8a [0,2,0,0,0,0|2,0,0]=4 3997 B12R0.156 CC[C@@H](O)C(=O)NCCC(=O)NO 173a94cac24787abba69da41428e6a70 [0,2,0,0,0,0|1,0,0]=3 3998 B12R0.156 CC[C@@H](O)C(=O)NCCC(=O)OC 83f3e150651c2931674d9ef93aac8b37 [0,2,0,0,0,0|1,0,0]=3 3999 B12R0.156 CC[C@H](O)C(=O)NCCC(=O)NC 3f19590c218ee20944665eed1e6796e6 [0,2,0,0,0,0|2,0,0]=4 4000 B12R0.156 CC[C@H](O)C(=O)NCCC(=O)NO af9f8ca901a5634d5d2cbbc3d85f953b [0,2,0,0,0,0|1,0,0]=3 4001 B12R0.156 CC[C@H](O)C(=O)NCCC(=O)OC 76a7828f894d512ea882a4aae36de347 [0,2,0,0,0,0|1,0,0]=3 4002 B12R0.156 CC[C@H](S)C(=O)NCCC(=O)NC 80e12313713d214497b1d8cadab78fd1 [0,2,0,0,0,0|2,0,0]=4 4003 B12R0.156 CC[C@H](S)C(=O)NCCC(=O)NO 93d26a50e528d69b26a5b4e24bbf14b2 [0,2,0,0,0,0|1,0,0]=3 4004 B12R0.156 CC[C@H](S)C(=O)NCCC(=O)OC 06ea2e50c62cfd40c62dcf72bac2184d [0,2,0,0,0,0|1,0,0]=3 4005 B12R0.156 COC(=O)CCNC(=O)C(C)OC a1c029922b3bd5c229184bf61ea70d35 [0,2,0,0,0,0|2,0,0]=4 4006 B12R0.156 COC(=O)CCNC(=O)C(C)SC ec75d8b97cae62bf7da15145520048be [0,2,0,0,0,0|2,0,0]=4 4007 B12R0.156 COC(=O)CCNC(=O)C(O)CO 85a70772170aff3973e837279dfd77bf [0,2,0,0,0,0|2,0,0]=4 4008 B12R0.156 COC(=O)CCNC(=O)[C@@H](C)OC aa0188f83fa7f6d750dd0c5d237090e9 [0,2,0,0,0,0|2,0,0]=4 4009 B12R0.156 COC(=O)CCNC(=O)[C@@H](O)CO 7c873ad0f6fa24c6e126c9816a8fb4a6 [0,2,0,0,0,0|2,0,0]=4 4010 B12R0.156 COC(=O)CCNC(=O)[C@H](C)OC 7aa025315a8c0db65ade0fefc7b34c08 [0,2,0,0,0,0|2,0,0]=4 4011 B12R0.156 COC(=O)CCNC(=O)[C@H](O)CF f5cfabf7d1b5993dfa895cce9a95e1ec [0,2,0,0,0,0|2,0,0]=4 4012 B12R0.156 COC(C)C(=O)NCCC(=O)NO a5a6ae6da632491ca148a8453854010f [0,2,0,0,0,0|2,0,0]=4 4013 B12R0.156 CO[C@@H](C)C(=O)NCCC(=O)NO e51448a05adf00dfda13d6537e3488d1 [0,2,0,0,0,0|2,0,0]=4 4014 B12R0.156 CO[C@H](C)C(=O)NCCC(=O)NO 060297c268bdca1513eeaa5763bdc7a6 [0,2,0,0,0,0|2,0,0]=4 4015 B12R0.156 CSC(C)C(=O)NCCC(=O)NO 07f9495023056241ed0d750bb27f6af2 [0,2,0,0,0,0|2,0,0]=4 4016 B12R0.156 O=C(CCNC(=O)C(O)CO)NO b21616a610263e5daa049dc6e42f4916 [0,2,0,0,0,0|2,0,0]=4 4017 B12R0.156 O=C(CCNC(=O)[C@@H](O)CO)NO e84a6210af6125c24e887d7be6843baf [0,2,0,0,0,0|2,0,0]=4 4018 B12R0.156 O=C(CCNC(=O)[C@H](O)CF)NO dd17015deda243943c78195d97656582 [0,2,0,0,0,0|2,0,0]=4 4019 B12R0.349 CCC(C)(C)N(C)CCCC(=O)O 0e41f154b61bf729fa72e2a658c20186 [0,2,0,0,0,0|2,0,0]=4 4020 B12R0.349 CCC(F)(F)C(=O)NCCC(=O)N b614076de0926c3ba3ecfd0569c8cb09 [0,2,0,0,0,0|2,0,0]=4 4021 B12R0.349 CCC(F)(F)C(=O)NCCS(=O)O c45c7689c82d4d799b1ba4ed9849893d [0,2,0,0,0,0|2,0,0]=4 4022 B12R0.677 CCC(C#N)N(C)CCCC(=O)O 8002eb181edb28a5d5dc958e0baca58c [0,2,0,0,0,0|2,0,0]=4 4023 B12R0.677 CCC(C=O)N(C)CCCC(=O)O e17b42e4becea00d8227d469d285f032 [0,2,0,0,0,0|2,0,0]=4 4024 B12R0.677 CCC(CC)N(C)CCCC(=O)O a3ae476331e2e38381b3f4524b81fa1b [0,2,0,0,0,0|2,0,0]=4 4025 B12R0.677 CCC(CO)N(C)CCCC(=O)O 154fc701d856c0f1f65eb4d37bd90ed3 [0,2,0,0,0,0|2,0,0]=4 4026 B12R0.677 CCC(OC)C(=O)NCCC(=O)N 88221c47cf4105f27160ca3636e2c48c [0,2,0,0,0,0|2,0,0]=4 4027 B12R0.677 CCC(OC)C(=O)NCCS(=O)O 80c9a6b68964ba429223a566c4c4f0a6 [0,2,0,0,0,0|2,0,0]=4 4028 B12R0.677 CCN(CC)C(=O)CNCC(=O)O 48308365a61d6130c91e255da7d922a1 [0,2,0,0,0,0|2,0,0]=4 4029 B12R0.677 CCN(CC)C(=O)COCC(=O)O 8ba480454faf4ce06011f96829527d91 [0,2,0,0,0,0|2,0,0]=4 4030 B12R0.44 C=C(C)CCC(=O)NCCC(=O)N 4f750a8503c2e4d1c9cff337ed4789bf [0,2,0,0,0,0|2,0,0]=4 4031 B12R0.44 C=C(C)CCC(=O)NCCS(=O)O 54c222a1d3cdc699cc91e4cd4051446c [0,2,0,0,0,0|2,0,0]=4 4032 B12R0.44 C=C(C)CCCC(=O)NCC(C)C 60d1f7e6c2460c1423409f037977ec51 [0,2,0,0,0,0|2,0,0]=4 4033 B12R0.44 C=C(C)CCCC(=O)NCC(C)O eafb3b5e61942de3acfa378b9ac8c5be [0,2,0,0,0,0|2,0,0]=4 4034 B12R0.44 C=C(C)CCCC(=O)NC[C@@H](C)O b1c46a5ee9aeeeaacb0a06b33c419d4d [0,2,0,0,0,0|2,0,0]=4 4035 B12R0.44 C=C(C)CCCC(=O)NC[C@H](C)O 5f0d7502b31788937bcf1bd8b3c9b495 [0,2,0,0,0,0|2,0,0]=4 4036 B12R0.44 C=C(C)CCN(C)CCCC(=O)O c8d1f023c27b22437854462c1911bd8f [0,2,0,0,0,0|2,0,0]=4 4037 B12R0.44 C=C(C)CNC(=O)CCCC(=O)C 231581f37dab3fddc9e48cb5a8d7e669 [0,2,0,0,0,0|1,0,1]=4 4038 B12R0.44 C=C(C)CNC(=O)CCCC(=O)N 688c268ad0d4a2525dba388f7e5ce822 [0,2,0,0,0,0|1,0,1]=4 4039 B12R0.44 C=C(C)CNC(=O)NCCC(=O)O ced534f572b5a3d95483e3a8c910f50d [0,2,0,0,0,0|1,0,1]=4 4040 B12R0.44 CC(=O)CCC(=O)NCCC(=O)N 52a25938b3c20814564d3bc5ed20e7ac [0,2,0,0,0,0|2,0,0]=4 4041 B12R0.44 CC(=O)CCC(=O)NCCS(=O)O ee1594052a2f1fe608bf80b08ff1782a [0,2,0,0,0,0|2,0,0]=4 4042 B12R0.44 CC(=O)CCCC(=O)NCC(=O)C 921cc44c49442b91bab189bacbb5f31f [0,2,0,0,0,0|1,0,1]=4 4043 B12R0.44 CC(=O)CCCC(=O)NCC(C)C dc21194dfe2c6dff0bef94f08658ba00 [0,2,0,0,0,0|1,0,0]=3 4044 B12R0.44 CC(=O)CCCC(=O)NCC(C)O c818f779286ee7b3492e75cf836869f9 [0,2,0,0,0,0|1,0,0]=3 4045 B12R0.44 CC(=O)CCCC(=O)NCC(F)F 3f001c95c1fc680eaa595e3bdc6e7d35 [0,2,0,0,0,0|2,0,0]=4 4046 B12R0.44 CC(=O)CCCC(=O)NC[C@@H](C)O a5763453f65b75d05031dbc16bcbe77b [0,2,0,0,0,0|1,0,0]=3 4047 B12R0.44 CC(=O)CCCC(=O)NC[C@H](C)O 72c9bb4282843bb462beb7acc598b103 [0,2,0,0,0,0|1,0,0]=3 4048 B12R0.44 CC(=O)CCN(C)CCCC(=O)O ea064849e418c356506daac2e60ff41a [0,2,0,0,0,0|2,0,0]=4 4049 B12R0.44 CC(=O)CNC(=O)CCCC(=O)N 75bbc9d3ed1b2e19a3f3d2f373ee9383 [0,2,0,0,0,0|1,0,1]=4 4050 B12R0.44 CC(=O)CNC(=O)CNCC(=O)O 60f19fa2da9de2bd2386c2ee4bb22e09 [0,2,0,0,0,0|1,0,1]=4 4051 B12R0.44 CC(=O)CNC(=O)COCC(=O)O 7d2c00b12c2eb91bb2cf9bcb9f445b8a [0,2,0,0,0,0|1,0,1]=4 4052 B12R0.44 CC(=O)CNC(=O)NCCC(=O)O e55e15e5a099095c4fe9f8e14ac8d9f4 [0,2,0,0,0,0|1,0,1]=4 4053 B12R0.44 CC(=O)CNCC(=O)NCC(C)C dbb90ce30b968699672a65a574603f63 [0,2,0,0,0,0|2,0,0]=4 4054 B12R0.44 CC(=O)COCC(=O)NCC(C)C f5c4b453b17678ca50d6c16a2efbdb59 [0,2,0,0,0,0|2,0,0]=4 4055 B12R0.44 CC(=O)NCCC(=O)NCC(C)C 74747c18214300f932924c02d4ee22f1 [0,2,0,0,0,0|2,0,0]=4 4056 B12R0.44 CC(=O)NCCC(=O)NCC(C)O 6672a4ee930dcd7c3c7b5776d72dce48 [0,2,0,0,0,0|2,0,0]=4 4057 B12R0.44 CC(=O)NCCC(=O)NC[C@@H](C)O 3e9689e558a8988d9f335e1670f90260 [0,2,0,0,0,0|2,0,0]=4 4058 B12R0.44 CC(=O)NCCC(=O)NC[C@H](C)O 4c78fa1566c9626fe797ce092b1e892f [0,2,0,0,0,0|2,0,0]=4 4059 B12R0.44 CC(=O)OCC(=O)CNCC(=O)O 5ba54de7b2898746b74058fe42aa90bc [0,2,0,0,0,0|1,0,1]=4 4060 B12R0.44 CC(=O)OCC(=O)COCC(=O)O 4710a457e9c914b36d724c045aa23fcf [0,2,0,0,0,0|1,0,1]=4 4061 B12R0.44 CC(=O)OCCC(=O)NCC(C)C ecba5ea122c754afe19fba2861b43f3f [0,2,0,0,0,0|2,0,0]=4 4062 B12R0.44 CC(=O)OCCC(=O)NCC(C)O 1ba3394969cf547c80c04c459dd1c939 [0,2,0,0,0,0|2,0,0]=4 4063 B12R0.44 CC(=O)OCCC(=O)NC[C@@H](C)O 21d6f49e2c7fdb53d0e3104331eb26c1 [0,2,0,0,0,0|2,0,0]=4 4064 B12R0.44 CC(=O)OCCC(=O)NC[C@H](C)O 0ff0483484992337d627c6d367fc6043 [0,2,0,0,0,0|2,0,0]=4 4065 B12R0.44 CC(=O)SCCC(=O)NCC(C)C 64969c76f34252ceeb42137b7046a70f [0,2,0,0,0,0|2,0,0]=4 4066 B12R0.44 CC(=O)SCCC(=O)NCC(C)O e2968c491c70444574bfa17f68fcbb5c [0,2,0,0,0,0|2,0,0]=4 4067 B12R0.44 CC(=O)SCCC(=O)NC[C@@H](C)O 6d98f6b41b8ffb9cdd7e14c6bf3e0002 [0,2,0,0,0,0|2,0,0]=4 4068 B12R0.44 CC(=O)SCCC(=O)NC[C@H](C)O ac739593d08c367b9d1140cbe5af283f [0,2,0,0,0,0|2,0,0]=4 4069 B12R0.44 CC(C)CCC(=O)NCCC(=O)N a9154ce0434cd010ccb3d1276ec12568 [0,2,0,0,0,0|2,0,0]=4 4070 B12R0.44 CC(C)CCC(=O)NCCS(=O)O a6b96fd4f32371c468f0749d6fbfda69 [0,2,0,0,0,0|2,0,0]=4 4071 B12R0.44 CC(C)CCN(C)CCCC(=O)O b5eefb124ed01084efccdc3d0c2a0f7f [0,2,0,0,0,0|2,0,0]=4 4072 B12R0.44 CC(C)CNC(=O)CCCC(=O)N b87b4459f2044b290c17c963a16500ce [0,2,0,0,0,0|1,0,0]=3 4073 B12R0.44 CC(C)CNC(=O)CCC[N+](=O)[O-] 3276cfd2ce1fbd94b4ebf88eea53d8d8 [0,2,0,0,0,0|1,0,1]=4 4074 B12R0.44 CC(C)CNC(=O)CCNC(=O)N c0aa3b3cff7b2c4e0ca8a6a5413414f8 [0,2,0,0,0,0|2,0,0]=4 4075 B12R0.44 CC(C)CNC(=O)CNCC(=O)N 08d179635cd00faa6da888dc6f21bdc2 [0,2,0,0,0,0|2,0,0]=4 4076 B12R0.44 CC(C)CNC(=O)CNCC(=O)O 14a56407c4b9ce8324104c7f63a06c69 [0,2,0,0,0,0|1,0,0]=3 4077 B12R0.44 CC(C)CNC(=O)COCC(=O)N 29b261d285146103d3cd8b4566d8eeba [0,2,0,0,0,0|2,0,0]=4 4078 B12R0.44 CC(C)CNC(=O)COCC(=O)O 9436e3d02d100605d9d40f27c687092e [0,2,0,0,0,0|1,0,0]=3 4079 B12R0.44 CC(C)CNC(=O)COCS(=O)O b93683335d6ad4eda4ae9c2f83303c71 [0,2,0,0,0,0|2,0,0]=4 4080 B12R0.44 CC(C)CNC(=O)CSCC(=O)N d8fbe0b77c446069c9b067f1717946eb [0,2,0,0,0,0|2,0,0]=4 4081 B12R0.44 CC(C)CNC(=O)NCCC(=O)N 281cb0ce62ff976a87d56a65df687a93 [0,2,0,0,0,0|2,0,0]=4 4082 B12R0.44 CC(C)CNC(=O)NCCC(=O)O 929cee887ae58455a36728f1996eb8b8 [0,2,0,0,0,0|1,0,0]=3 4083 B12R0.44 CC(C)CNC(=O)NCCS(=O)O c7fe95a1e47e175ccf9c8e04d41bd8d9 [0,2,0,0,0,0|2,0,0]=4 4084 B12R0.44 CC(C)CNC(=S)NCCC(=O)O 054011756f1fd8fd7fd287a05cc7e0fa [0,2,0,0,0,0|1,1,0]=4 4085 B12R0.44 CC(C)OCC(=O)NCCC(=O)N 67111b39b09ba24a0777c952b50c38ce [0,2,0,0,0,0|2,0,0]=4 4086 B12R0.44 CC(C)OCC(=O)NCCC(=O)O a85e11a12a3b75ed4bc9cc600fd79aa7 [0,2,0,0,0,0|1,0,0]=3 4087 B12R0.44 CC(C)OCC(=O)NCCS(=O)O be1e2d67719b981f236d3dd1ab38e07c [0,2,0,0,0,0|2,0,0]=4 4088 B12R0.44 CC(C)OCN(C)CCCC(=O)O 90c4f49cba65793756527ec090524eb3 [0,2,0,0,0,0|2,0,0]=4 4089 B12R0.44 CC(C)SCC(=O)NCCC(=O)N 0752deff57fd446a24f24ed8e3a3fb1b [0,2,0,0,0,0|2,0,0]=4 4090 B12R0.44 CC(C)SCC(=O)NCCS(=O)O 8988ad6db56b925ee57e1e6e1156e5e5 [0,2,0,0,0,0|2,0,0]=4 4091 B12R0.44 CC(O)CCC(=O)NCCC(=O)N b32d61079d64935f6012bbe4a9ba596b [0,2,0,0,0,0|2,0,0]=4 4092 B12R0.44 CC(O)CCC(=O)NCCS(=O)O d8827770ef77d42769164cfd71515199 [0,2,0,0,0,0|2,0,0]=4 4093 B12R0.44 CC(O)CCN(C)CCCC(=O)O 64a82bc748477047f513a003510bb771 [0,2,0,0,0,0|2,0,0]=4 4094 B12R0.44 CC(O)CNC(=O)CCCC(=O)N 1d95dd80a4a32e3fe181627b51d59ba1 [0,2,0,0,0,0|1,0,0]=3 4095 B12R0.44 CC(O)CNC(=O)CCC[N+](=O)[O-] 791638afdf0c4577b8989a3056735318 [0,2,0,0,0,0|1,0,1]=4 4096 B12R0.44 CC(O)CNC(=O)CCNC(=O)N ca056d644d9aea94c839f2ba9767bfce [0,2,0,0,0,0|2,0,0]=4 4097 B12R0.44 CC(O)CNC(=O)COCC(=O)N ba93f6d11d7f3f90d6bc700cb004914d [0,2,0,0,0,0|2,0,0]=4 4098 B12R0.44 CC(O)CNC(=O)CSCC(=O)N d1fcda67e85e3e7359b0d6bf38e435b0 [0,2,0,0,0,0|2,0,0]=4 4099 B12R0.44 CC(O)CNC(=O)NCCC(=O)N 882282a24dfa4abd018ab802948ea63a [0,2,0,0,0,0|2,0,0]=4 4100 B12R0.44 CC(O)CNC(=O)NCCC(=O)O 18c285f0708e2ce2edf7128c94fefdb7 [0,2,0,0,0,0|1,0,0]=3 4101 B12R0.44 CC(O)CNC(=O)NCCS(=O)O 591f89a875c91fa2be026bfadf6309ec [0,2,0,0,0,0|2,0,0]=4 4102 B12R0.44 CC(O)CNC(=S)NCCC(=O)O 6c19b0d788d0b739c79014e1dfc810c8 [0,2,0,0,0,0|1,1,0]=4 4103 B12R0.44 CC(S)CCC(=O)NCCC(=O)N dcfaee0cb653c13c9cc3596fdc32488d [0,2,0,0,0,0|2,0,0]=4 4104 B12R0.44 CC(S)CCC(=O)NCCS(=O)O a5468ca794d5a6d95d628ecbccae0997 [0,2,0,0,0,0|2,0,0]=4 4105 B12R0.44 CN(C)CCC(=O)NCCC(=O)N 45749bba40f227653f93b34e0a9d03ba [0,2,0,0,0,0|2,0,0]=4 4106 B12R0.44 CN(C)CCC(=O)NCCS(=O)O 9bbe30f4fc98efa71bcb397b9dbc722a [0,2,0,0,0,0|2,0,0]=4 4107 B12R0.44 CN(C)CCN(C)CCCC(=O)O 336605a7efcf641ab34667b2b9cf8204 [0,2,0,0,0,0|2,0,0]=4 4108 B12R0.44 CN(CCCC(=O)O)CCC(F)F 89ac3392ce7c19299740c0bafc9d861b [0,2,0,0,0,0|2,0,0]=4 4109 B12R0.44 CN(CCCC(=O)O)CCS(=O)C b73f98fb52813a423a20e05530309b6e [0,2,0,0,0,0|2,0,0]=4 4110 B12R0.44 CS(=O)CCC(=O)NCCC(=O)N 9a8430ca91736a127094771d6f840c51 [0,2,0,0,0,0|2,0,0]=4 4111 B12R0.44 CS(=O)CCC(=O)NCCS(=O)O 633d41b21a493ad855ae596e1f406211 [0,2,0,0,0,0|2,0,0]=4 4112 B12R0.44 C[C@@H](O)CNC(=O)CCCC(=O)N 614392f0f6feee9591a91fde658edb18 [0,2,0,0,0,0|1,0,0]=3 4113 B12R0.44 C[C@@H](O)CNC(=O)CCC[N+](=O)[O-] eb957a004f6c6322c76d689698be23b7 [0,2,0,0,0,0|1,0,1]=4 4114 B12R0.44 C[C@@H](O)CNC(=O)CCNC(=O)N f2966b3a5245ff903fdd1293c99c8b13 [0,2,0,0,0,0|2,0,0]=4 4115 B12R0.44 C[C@@H](O)CNC(=O)COCC(=O)N ab152bd2290d4143cdef5d0a3483030e [0,2,0,0,0,0|2,0,0]=4 4116 B12R0.44 C[C@@H](O)CNC(=O)CSCC(=O)N eba2d485ff3cb47714dd09b79cd0c138 [0,2,0,0,0,0|2,0,0]=4 4117 B12R0.44 C[C@@H](O)CNC(=O)NCCC(=O)N 6cf9749fc7759e53aec81d58c92a0d54 [0,2,0,0,0,0|2,0,0]=4 4118 B12R0.44 C[C@@H](O)CNC(=O)NCCC(=O)O 298c307693737effb1d15bc5f6b16573 [0,2,0,0,0,0|1,0,0]=3 4119 B12R0.44 C[C@@H](O)CNC(=O)NCCS(=O)O 61207e56b500cc8af8be610bc5440b1b [0,2,0,0,0,0|2,0,0]=4 4120 B12R0.44 C[C@@H](O)CNC(=S)NCCC(=O)O e3ae71ab2b7e5632cf86f7dbc69c0dc8 [0,2,0,0,0,0|1,1,0]=4 4121 B12R0.44 C[C@H](O)CNC(=O)CCCC(=O)N cac0c7390a73a4714eef8e0727004c1b [0,2,0,0,0,0|1,0,0]=3 4122 B12R0.44 C[C@H](O)CNC(=O)CCC[N+](=O)[O-] 70d254bc31091c423ed71d0ea952dbb7 [0,2,0,0,0,0|1,0,1]=4 4123 B12R0.44 C[C@H](O)CNC(=O)CCNC(=O)N a3d0964f9c2d836b702989bdc465194d [0,2,0,0,0,0|2,0,0]=4 4124 B12R0.44 C[C@H](O)CNC(=O)COCC(=O)N b85db2829b6cad053452b9b285b69360 [0,2,0,0,0,0|2,0,0]=4 4125 B12R0.44 C[C@H](O)CNC(=O)CSCC(=O)N cdc4d41386882de47062dbf04f8053ee [0,2,0,0,0,0|2,0,0]=4 4126 B12R0.44 C[C@H](O)CNC(=O)NCCC(=O)N c5a6e2a862cca320d01579951a62fc70 [0,2,0,0,0,0|2,0,0]=4 4127 B12R0.44 C[C@H](O)CNC(=O)NCCC(=O)O cf80027a6a2b16812f9782bf293a5310 [0,2,0,0,0,0|1,0,0]=3 4128 B12R0.44 C[C@H](O)CNC(=O)NCCS(=O)O 77ef5638185fab97e81dcf1e12cb25cf [0,2,0,0,0,0|2,0,0]=4 4129 B12R0.44 C[C@H](O)CNC(=S)NCCC(=O)O f1c27b552fcc039320119e3e73bbdfdd [0,2,0,0,0,0|1,1,0]=4 4130 B12R0.44 C[C@H](S)CCC(=O)NCCC(=O)N 55589217b7c3b445b4819896fff103db [0,2,0,0,0,0|2,0,0]=4 4131 B12R0.44 C[C@H](S)CCC(=O)NCCS(=O)O 6ae1071bcedef310e90d5cc52936b945 [0,2,0,0,0,0|2,0,0]=4 4132 B12R0.44 NC(=O)CCCC(=O)NCC(F)F 1acfbf508799c5d165445c3060c5d34d [0,2,0,0,0,0|2,0,0]=4 4133 B12R0.44 NC(=O)CCNC(=O)CCC(F)F b0a37c65578fbbcc6b5fef24dd7283d8 [0,2,0,0,0,0|2,0,0]=4 4134 B12R0.44 O=C(CCC(F)F)NCCS(=O)O 6d119a98f5926b52f60e6d5f7e0c7120 [0,2,0,0,0,0|2,0,0]=4 4135 B12R0.44 O=C(O)CCC(=O)CNCC(=O)O 3c4ce4d189cd157e2f960e7519a10a4e [0,2,0,0,0,0|1,0,1]=4 4136 B12R0.44 O=C(O)CCC(=O)COCC(=O)O 75a7d6c56e457e230c21d952ef03c333 [0,2,0,0,0,0|1,0,1]=4 4137 B12R0.44 O=C(O)CCNC(=O)NCC(F)F df4ddaa00e779a4e438c1f91284fd300 [0,2,0,0,0,0|2,0,0]=4 4138 B12R0.102 C#CCCC(=O)NCCC(=O)NO 8705178d4cecfac71ba318325d1820af [0,2,0,0,0,0|1,0,1]=4 4139 B12R0.102 C#CCCC(=O)NCCC(=O)OC 4d5ef1c190db8f7818bc7e638f7f0f27 [0,2,0,0,0,0|1,0,1]=4 4140 B12R0.102 C#CCNC(=O)CCCC(=O)OC 90dd1b25eda6fe4d9b6e7c2e09d257ac [0,2,0,0,0,0|0,0,2]=4 4141 B12R0.102 C/C=C/CC(=O)NCCC(=O)NO db6561f7b0349fb1545207afb40ad8b2 [0,2,0,0,0,0|1,0,1]=4 4142 B12R0.102 C/C=C/CC(=O)NCCC(=O)OC a69326e43870826691dfa7c06b808ad2 [0,2,0,0,0,0|1,0,1]=4 4143 B12R0.102 C=C(CNCC(=O)NCCC)OC 70198a3673fe1bb9370f8f249b675c3e [0,2,0,0,0,0|2,0,0]=4 4144 B12R0.102 C=C(CO)CNCC(=O)NCCC a7d9146bf226b5e0e777289d022963aa [0,2,0,0,0,0|2,0,0]=4 4145 B12R0.102 C=CC(=O)OCCC(=O)NCCC 022c6ffee9110a7bd277e2b6fda40adb [0,2,0,0,0,0|2,0,0]=4 4146 B12R0.102 C=CCCC(=O)NCCC(=O)NO 97c2a676bff9ef6dda8f4f47850486e6 [0,2,0,0,0,0|1,0,1]=4 4147 B12R0.102 C=CCCC(=O)NCCC(=O)OC 86c39eb4983d6152d781437a2e41a885 [0,2,0,0,0,0|1,0,1]=4 4148 B12R0.102 CC#CCC(=O)NCCC(=O)NO 15e20806719a5b74d5d971534f744d39 [0,2,0,0,0,0|1,0,1]=4 4149 B12R0.102 CC#CCC(=O)NCCC(=O)OC 3a76ba0ce371d72ea48b446f2cfd06b9 [0,2,0,0,0,0|1,0,1]=4 4150 B12R0.102 CC/C=C/C(=O)NCCC(=O)NO 62e38640fcdd0c9296dd883b49d33e53 [0,2,0,0,0,0|1,0,1]=4 4151 B12R0.102 CC/C=C/C(=O)NCCC(=O)OC f2dd1aca3e065d1f67acd96170db88f3 [0,2,0,0,0,0|1,0,1]=4 4152 B12R0.102 CC/C=C\C(=O)NCCC(=O)NO 00cfbf26c9a309c0a1a7e4f03f4ef8a9 [0,2,0,0,0,0|1,0,1]=4 4153 B12R0.102 CC/C=C\C(=O)NCCC(=O)OC 7aa10ceca61b6a09b0eff8be6aa20e15 [0,2,0,0,0,0|1,0,1]=4 4154 B12R0.102 CCC#CC(=O)NCCC(=O)NO 44001126852db83749a62de8ce88db38 [0,2,0,0,0,0|1,0,1]=4 4155 B12R0.102 CCC#CC(=O)NCCC(=O)OC 67b48f0c84d6b3a0ff9427be1075a27e [0,2,0,0,0,0|1,0,1]=4 4156 B12R0.102 CCC(=O)CCCC(=O)NCCBr 1882d58d7cd5738843bbc95947bad6ff [0,2,0,0,0,0|2,0,0]=4 4157 B12R0.102 CCC(=O)CCCC(=O)NCCF 025722367f96cbee5cdfa5ddf64d8108 [0,2,0,0,0,0|2,0,0]=4 4158 B12R0.102 CCC(=O)CCCC(=O)NCCI b0fab90b4e7c90f99f39772707d649d1 [0,2,0,0,0,0|2,0,0]=4 4159 B12R0.102 CCC(=O)CCCC(=O)NCCO dda506e68c698dfa7b5caea595ddc50d [0,2,0,0,0,0|2,0,0]=4 4160 B12R0.102 CCC(=O)CCCC(=O)NCCS 785ed5fc3c01200c3be987ffff5c0eb9 [0,2,0,0,0,0|2,0,0]=4 4161 B12R0.102 CCC(=O)COCC(=O)CCSC 034ea6c0acefcc8ab9727862cb48b278 [0,2,0,0,0,0|2,0,0]=4 4162 B12R0.102 CCC=CC(=O)NCCC(=O)NO 49bad35556f0dfdcad75d6bfd8ec6a76 [0,2,0,0,0,0|1,0,1]=4 4163 B12R0.102 CCC=CC(=O)NCCC(=O)OC 17295b4652d58ba4fd030442e69f654e [0,2,0,0,0,0|1,0,1]=4 4164 B12R0.102 CCCCC(=O)NCCC(=O)NC 7e9ab16e55bf7a31d773c0be37914f87 [0,2,0,0,0,0|2,0,0]=4 4165 B12R0.102 CCCCC(=O)NCCC(=O)NO ba96acf9a2fa29bd7b9dfdd84ce2f30b [0,2,0,0,0,0|1,0,0]=3 4166 B12R0.102 CCCCC(=O)NCCC(=O)OC b7c02a04cbcf424ab10080fa486feaaf [0,2,0,0,0,0|1,0,0]=3 4167 B12R0.102 CCCCN(C)CCCC(=O)OC d0aafc1d60b0e19908b5e62ff46c60bc [0,2,0,0,0,0|2,0,0]=4 4168 B12R0.102 CCCNC(=O)CCCC(=O)CC 1961ac9f040acfc591cd5015cf471778 [0,2,0,0,0,0|1,0,0]=3 4169 B12R0.102 CCCNC(=O)CCCC(=O)NC c730e69c6410a213583e2d4ed0171a4e [0,2,0,0,0,0|1,0,0]=3 4170 B12R0.102 CCCNC(=O)CCCC(=O)OC 7af4d7803136e9b244e10e297e7b47c6 [0,2,0,0,0,0|0,0,0]=2 4171 B12R0.102 CCCNC(=O)CCCC(O)CO 114599b45222067e007a1434bf966552 [0,2,0,0,0,0|0,0,2]=4 4172 B12R0.102 CCCNC(=O)CCNC(=O)CC 47ea83769e1cd5760ccf18b3a6b57781 [0,2,0,0,0,0|2,0,0]=4 4173 B12R0.102 CCCNC(=O)CNCC(=O)CC e2d6ddfeef6b7a6b4655f3d5bf2415fb [0,2,0,0,0,0|2,0,0]=4 4174 B12R0.102 CCCNC(=O)CNCC(=O)CO 0c9ab9ccbbe18a487eb93052beaae0f9 [0,2,0,0,0,0|1,0,0]=3 4175 B12R0.102 CCCNC(=O)CNCC(=O)NC e5aeafe34bffff640c65e92451fef2f7 [0,2,0,0,0,0|2,0,0]=4 4176 B12R0.102 CCCNC(=O)CNCC(=O)NO 7a5174dd213db0b1eb7c7820cb6da75a [0,2,0,0,0,0|1,0,0]=3 4177 B12R0.102 CCCNC(=O)CNCC(=O)OC 8017a7c9b93af90be395b4f5bfa8b0c5 [0,2,0,0,0,0|1,0,0]=3 4178 B12R0.102 CCCNC(=O)COCC(=O)CC 928790e5c202a6ee6e979865b8125360 [0,2,0,0,0,0|2,0,0]=4 4179 B12R0.102 CCCNC(=O)COCC(=O)NC c2b0fd803712f9d3d565f35cb2cf04d7 [0,2,0,0,0,0|2,0,0]=4 4180 B12R0.102 CCCNC(=O)COCC(=O)OC 4d80e3351f1a16f76393256007b5638b [0,2,0,0,0,0|1,0,0]=3 4181 B12R0.102 CCCNC(=O)CSCC(=O)OC fc6ef07f5c4000dfda88222cbcc87893 [0,2,0,0,0,0|1,0,0]=3 4182 B12R0.102 CCCNC(=O)NCCC(=O)NC 3ff53515ca32d350791fc77cf159bbca [0,2,0,0,0,0|2,0,0]=4 4183 B12R0.102 CCCNC(=O)NCCC(=O)NO 756accccff3a4be61948b6ee618b974b [0,2,0,0,0,0|1,0,0]=3 4184 B12R0.102 CCCNC(=O)NCCC(=O)OC b79fdbb8e38738ae743dd6469a0cc528 [0,2,0,0,0,0|1,0,0]=3 4185 B12R0.102 CCCNC(=S)NCCC(=O)NO 2790051f30cffcbbe8f7a7e111084129 [0,2,0,0,0,0|1,1,0]=4 4186 B12R0.102 CCCNC(=S)NCCC(=O)OC 3c2f1ede9c4af9a06adaba6b48cd1ea6 [0,2,0,0,0,0|1,1,0]=4 4187 B12R0.102 CCCNC(C)CCCC(=O)OC f716e6748fb0bad3622d19d9cce70848 [0,2,0,0,0,0|1,0,1]=4 4188 B12R0.102 CCCOC(=O)CNCC(=O)NC 5aa4bd652b24299688f78f18b24a3f9c [0,2,0,0,0,0|2,0,0]=4 4189 B12R0.102 CCCOC(=O)CNCC(=O)NO f0c93f5eebe8ef70cf009bbfab53e2ff [0,2,0,0,0,0|1,0,0]=3 4190 B12R0.102 CCCOC(=O)CNCC(=O)OC a29c0c50e95f506b27f39c9fa666b5b3 [0,2,0,0,0,0|1,0,0]=3 4191 B12R0.102 CCCOC(=O)COCC(=O)CC 6958fb2f355e612061fc84b93bd00042 [0,2,0,0,0,0|2,0,0]=4 4192 B12R0.102 CCCOC(=O)COCC(=O)NC ded6372400f01e308bd53b2b20c56a65 [0,2,0,0,0,0|2,0,0]=4 4193 B12R0.102 CCCOC(=O)COCC(=O)OC 957e10de399fb279910d9782f5d3996c [0,2,0,0,0,0|1,0,0]=3 4194 B12R0.102 CCCOC(C)CCCC(=O)OC f03321ff3a5e4a38f954a08fc10afcac [0,2,0,0,0,0|1,0,1]=4 4195 B12R0.102 CCOCC(=O)NCCC(=O)NC e648cbad9131df33c633e97dbadb8049 [0,2,0,0,0,0|2,0,0]=4 4196 B12R0.102 CCOCC(=O)NCCC(=O)NO b760443473ab271e57309b874388c332 [0,2,0,0,0,0|1,0,0]=3 4197 B12R0.102 CCOCC(=O)NCCC(=O)OC 9158db8ec6481d39083adf2ef6df45db [0,2,0,0,0,0|1,0,0]=3 4198 B12R0.102 CCSCC(=O)NCCC(=O)NC a748d81e40797d7a42917124ee1aa9ff [0,2,0,0,0,0|2,0,0]=4 4199 B12R0.102 CCSCC(=O)NCCC(=O)NO 5c65aead129eddeedc7efc601ed31436 [0,2,0,0,0,0|1,0,0]=3 4200 B12R0.102 CCSCC(=O)NCCC(=O)OC 7e6c5d58c0009adb6bce27042dc018f5 [0,2,0,0,0,0|1,0,0]=3 4201 B12R0.102 CNC(=O)CCCC(=O)NCCBr 903d0330f5ca4a033744016d34871585 [0,2,0,0,0,0|2,0,0]=4 4202 B12R0.102 CNC(=O)CCCC(=O)NCCF 811c6b4f0d86140474c6c9e1ee3db53f [0,2,0,0,0,0|2,0,0]=4 4203 B12R0.102 CNC(=O)CCCC(=O)NCCI 88b2ac81b502104a953cdf181f3affc3 [0,2,0,0,0,0|2,0,0]=4 4204 B12R0.102 CNC(=O)CCCC(=O)NCCO cee8c2082e2524b284619a180ecdb33d [0,2,0,0,0,0|2,0,0]=4 4205 B12R0.102 CNC(=O)CCCC(=O)NCCS 5b06e0c6dd4e7f7498ab6ace59de89f1 [0,2,0,0,0,0|2,0,0]=4 4206 B12R0.102 CNC(=O)CCNC(=O)CCCF 34e72a631acce33f3529dd30be750804 [0,2,0,0,0,0|2,0,0]=4 4207 B12R0.102 CNC(=O)CCNC(=O)CCCS 14dd41a0468bc1498bccd2db0bd1bc4d [0,2,0,0,0,0|2,0,0]=4 4208 B12R0.102 CNC(=O)CCNC(=O)CCOC a9a107c7ea70889e545c1e33a59f72a7 [0,2,0,0,0,0|2,0,0]=4 4209 B12R0.102 CNC(=O)CCNC(=O)CCSC 73e7c8596baf78678eb01a0f5f6f1d50 [0,2,0,0,0,0|2,0,0]=4 4210 B12R0.102 CNC(=O)CNCC(=O)CCSC 2ec429a9011f45d4720c77c0f49ac89b [0,2,0,0,0,0|2,0,0]=4 4211 B12R0.102 CNC(=O)COCC(=O)CCSC efee926ebdf6654bec17f5a906c9a3fe [0,2,0,0,0,0|2,0,0]=4 4212 B12R0.102 COC(=O)CCCC(=O)NCC#N 9a49d286d3928a40303d221a782035fb [0,2,0,0,0,0|1,0,1]=4 4213 B12R0.102 COC(=O)CCCC(=O)NCCBr 44263340490e476eb73eca7bde27f3ab [0,2,0,0,0,0|1,0,0]=3 4214 B12R0.102 COC(=O)CCCC(=O)NCCF 52ddcd9898b80367ae47ff2800928d79 [0,2,0,0,0,0|1,0,0]=3 4215 B12R0.102 COC(=O)CCCC(=O)NCCI 3f37282c0237ae6dd53dc8d7fd40dacd [0,2,0,0,0,0|1,0,0]=3 4216 B12R0.102 COC(=O)CCCC(=O)NCCO dc3ccce1179fbc64296e2f8f66906227 [0,2,0,0,0,0|1,0,0]=3 4217 B12R0.102 COC(=O)CCCC(=O)NCCS 2ad5b92f15d0a15d3fc85b4356b434b7 [0,2,0,0,0,0|1,0,0]=3 4218 B12R0.102 COC(=O)CCCN(C)CCCO 440f92998176488c1205ccf50946beb6 [0,2,0,0,0,0|2,0,0]=4 4219 B12R0.102 COC(=O)CCCN(C)CCSC ecb9acdb818f2058d9f2d9dd7a63ae32 [0,2,0,0,0,0|2,0,0]=4 4220 B12R0.102 COC(=O)CCNC(=O)CCC#N b2d913d5683d17e12443fc43e6325564 [0,2,0,0,0,0|1,0,1]=4 4221 B12R0.102 COC(=O)CCNC(=O)CCC=O cc270d113f7fd63a0d2b0e367e440135 [0,2,0,0,0,0|1,0,1]=4 4222 B12R0.102 COC(=O)CCNC(=O)CCCF 4ef3c20094c3a2baf8f767c6954781be [0,2,0,0,0,0|1,0,0]=3 4223 B12R0.102 COC(=O)CCNC(=O)CCCS 00fa658c4a0834ff75900efde6e892ff [0,2,0,0,0,0|1,0,0]=3 4224 B12R0.102 COC(=O)CCNC(=O)CCSC 54a3f412cca588d616ec7658744c370d [0,2,0,0,0,0|1,0,0]=3 4225 B12R0.102 COC(=O)CCNC(=O)CSSC 9d9abc3441289046bcd0ff5151c14e81 [0,2,0,0,0,0|2,0,0]=4 4226 B12R0.102 COC(=O)CCNC(=O)NCCF 264572b7091cc0e6bf43fa5e67183939 [0,2,0,0,0,0|2,0,0]=4 4227 B12R0.102 COC(=O)CCNC(=O)NCCN 75c4f3ef0619e6c46794c8a692a55574 [0,2,0,0,0,0|2,0,0]=4 4228 B12R0.102 COC(=O)CCNC(=O)NCCO a08dd7497af9d1267596bf8150d3c62a [0,2,0,0,0,0|2,0,0]=4 4229 B12R0.102 COC(=O)CCNC(=O)NCCS dd3fa694a004439c004062825ff32d0f [0,2,0,0,0,0|2,0,0]=4 4230 B12R0.102 COC(=O)CNCC(=O)CCSC da108d863da2c36a3ab892411263316c [0,2,0,0,0,0|1,0,0]=3 4231 B12R0.102 COC(=O)CNCC(=O)NCCO 86cfff10a6d9225b6f8e8d5a06807267 [0,2,0,0,0,0|2,0,0]=4 4232 B12R0.102 COC(=O)COCC(=O)CCSC 00375dbfd84b7c4f85cfece9a609e388 [0,2,0,0,0,0|1,0,0]=3 4233 B12R0.102 COC(=O)COCC(=O)NCCBr f8c43f81a03a5f7a9555f99f2ecf1ac9 [0,2,0,0,0,0|2,0,0]=4 4234 B12R0.102 COC(=O)COCC(=O)NCCF fada73a99c2f70dc350b61b650be6c4a [0,2,0,0,0,0|2,0,0]=4 4235 B12R0.102 COC(=O)COCC(=O)NCCI c2655198029ea62658bc95998c92d3dc [0,2,0,0,0,0|2,0,0]=4 4236 B12R0.102 COC(=O)COCC(=O)NCCO 5cd5a9aa6f37756a6921b8f6117a9d21 [0,2,0,0,0,0|2,0,0]=4 4237 B12R0.102 COC(=O)COCC(=O)NCCS 764a5152b4fe0c291239305eb10444ca [0,2,0,0,0,0|2,0,0]=4 4238 B12R0.102 COC(=O)CSCC(=O)NCCBr 03c40ec91d67c05a76bccb02baaecd90 [0,2,0,0,0,0|2,0,0]=4 4239 B12R0.102 COC(=O)CSCC(=O)NCCF 54b6a1aad8039a9afc047da0d684a2c9 [0,2,0,0,0,0|2,0,0]=4 4240 B12R0.102 COC(=O)CSCC(=O)NCCI 288decac83aa9462954cce5c604f1dff [0,2,0,0,0,0|2,0,0]=4 4241 B12R0.102 COC(=O)CSCC(=O)NCCO 40bc857b0089ebbd1e031c0fd9dfeeb6 [0,2,0,0,0,0|2,0,0]=4 4242 B12R0.102 COC(=O)CSCC(=O)NCCS 061fef82367847bd09f662873e0f9655 [0,2,0,0,0,0|2,0,0]=4 4243 B12R0.102 COCCC(=O)NCCC(=O)NO d104af44d44fe03402a9fa5d1fc3dec8 [0,2,0,0,0,0|1,0,0]=3 4244 B12R0.102 COCCC(=O)NCCC(=O)OC 96b892f9db6bcde3db9b1ed2361bd973 [0,2,0,0,0,0|1,0,0]=3 4245 B12R0.102 COCCN(C)CCCC(=O)OC 0e6dd27548f1737ac1126a9cbddeb498 [0,2,0,0,0,0|2,0,0]=4 4246 B12R0.102 CSCCC(=O)CNCC(=O)NO 089cf5f17dfb0c9f1cdb894778cb4d3b [0,2,0,0,0,0|1,0,0]=3 4247 B12R0.102 CSCCC(=O)NCCC(=O)NO 5a0645b8782712dfb44584cc72e93213 [0,2,0,0,0,0|1,0,0]=3 4248 B12R0.102 CSSCC(=O)NCCC(=O)NO e71f637130f85b4c2786069269b0024f [0,2,0,0,0,0|2,0,0]=4 4249 B12R0.102 N#CCCC(=O)NCCC(=O)NO 6ca027393522bd133494b2d38b36ef2e [0,2,0,0,0,0|1,0,1]=4 4250 B12R0.102 NCCNC(=O)NCCC(=O)NO d04c537f6223a154fb6788c88cf1c94e [0,2,0,0,0,0|2,0,0]=4 4251 B12R0.102 O=C(CCNC(=O)CCCF)NO 61695072f73c43066cfefaae1a8eb428 [0,2,0,0,0,0|1,0,0]=3 4252 B12R0.102 O=C(CCNC(=O)CCCS)NO ef39a9bb801730c0d09e3ac056b20262 [0,2,0,0,0,0|1,0,0]=3 4253 B12R0.102 O=C(CCNC(=O)NCCF)NO f0744de6381d17636eb87e5bffc0b207 [0,2,0,0,0,0|2,0,0]=4 4254 B12R0.102 O=C(CCNC(=O)NCCO)NO 03c08cfdb3ab1f8c28b2a7a9e39599c5 [0,2,0,0,0,0|2,0,0]=4 4255 B12R0.102 O=C(CCNC(=O)NCCS)NO 83a6df57c457a9dac6d6bc814d1f6305 [0,2,0,0,0,0|2,0,0]=4 4256 B12R0.102 O=C(CO)CNCC(=O)NCCO 59a016c5bbf2ed89f5ab870bf246a4b2 [0,2,0,0,0,0|2,0,0]=4 4257 B12R0.102 O=CCCC(=O)NCCC(=O)NO 22d076485c1e3d219b42dab11c6f6171 [0,2,0,0,0,0|1,0,1]=4 4258 B12R0.104 CCCCC(=O)NCCS(=O)(=O)O 76a0c50a6dbb49391791f7fd5f985ad0 [0,2,0,0,0,0|2,0,0]=4 4259 B12R0.104 CCCNC(=O)CCCS(=O)(=O)C 51ec45eedb5ed126d2bb2a1b1e69e492 [0,2,0,0,0,0|1,0,1]=4 4260 B12R0.104 CCCNC(=O)CCCS(=O)(=O)N 90c895137a1aab9096540753116eb9d7 [0,2,0,0,0,0|1,0,1]=4 4261 B12R0.104 CCCNC(=O)CNCS(=O)(=O)O d37dbbaafea7f8cbec60e6b14b4cdc32 [0,2,0,0,0,0|2,0,0]=4 4262 B12R0.104 CCCNC(=O)NCCS(=O)(=O)O 68b5b34ee2456f270baceeb124e8d67d [0,2,0,0,0,0|2,0,0]=4 4263 B12R0.104 CCCOC(=O)CNCS(=O)(=O)O 7310fb99d5a86be4dee71dd2c2bbf4ac [0,2,0,0,0,0|2,0,0]=4 4264 B12R0.104 CCOCC(=O)NCCS(=O)(=O)O b7f7898dd24396cf10cb2c57463fc323 [0,2,0,0,0,0|2,0,0]=4 4265 B12R0.104 CCSCC(=O)NCCS(=O)(=O)O e36ea3b3b60a41f332093fffd0a8cade [0,2,0,0,0,0|2,0,0]=4 4266 B12R0.104 COCCC(=O)NCCS(=O)(=O)O 5b4310737477f5bc75a7f9aea334480f [0,2,0,0,0,0|2,0,0]=4 4267 B12R0.104 CSCCC(=O)CNCS(=O)(=O)O 5020acd0e699931554a3161673103b13 [0,2,0,0,0,0|2,0,0]=4 4268 B12R0.104 CSCCC(=O)NCCS(=O)(=O)O 83c0a6fd9966a9575475ff3fa350d0b7 [0,2,0,0,0,0|2,0,0]=4 4269 B12R0.104 O=C(CCCF)NCCS(=O)(=O)O 9aaab8fcd3edfea46192999fb9ed5a7c [0,2,0,0,0,0|2,0,0]=4 4270 B12R0.104 O=C(CCCS)NCCS(=O)(=O)O 72c0bc4f39e17a4da98a1637865d293c [0,2,0,0,0,0|2,0,0]=4 4271 B12R0.233 C#CCCCC(=O)NCCC(=O)N cf1da1ecd99d333979c2c32aed223eaa [0,2,0,0,0,0|2,0,0]=4 4272 B12R0.233 C#CCCCC(=O)NCCS(=O)O 1dc977660f7a4524b902f63910d1db1e [0,2,0,0,0,0|2,0,0]=4 4273 B12R0.233 C#CCCCN(C)CCCC(=O)O b19085c1123571b433591fc3ce4cd5b0 [0,2,0,0,0,0|2,0,0]=4 4274 B12R0.233 C#CCCNC(=O)CCCC(=O)C fda65215e30729c20a795a91e838b107 [0,2,0,0,0,0|1,0,1]=4 4275 B12R0.233 C#CCCNC(=O)CCCC(=O)N 0a4a5c5fc8e348836b288514275b0e60 [0,2,0,0,0,0|1,0,1]=4 4276 B12R0.233 C#CCCNC(=O)NCCC(=O)O f0e64df18f0d0a3d6c35d2b83d51a7a3 [0,2,0,0,0,0|1,0,1]=4 4277 B12R0.233 C#CCNCC(=O)NCCC(=O)O cdf06bc4541ab359ce328235de9bc380 [0,2,0,0,0,0|1,0,1]=4 4278 B12R0.233 C#CCOCC(=O)NCCC(=O)O 5f09525f9fbb775f8898e8733cd1fbda [0,2,0,0,0,0|1,0,1]=4 4279 B12R0.233 C=C(C)CCCC(=O)NCCCC e6bc46d2353b9894ad5923ae37f08234 [0,2,0,0,0,0|2,0,0]=4 4280 B12R0.233 C=C(C)CCCC(=O)NCCCCl 4a3ae86df0992147685255a294e1a750 [0,2,0,0,0,0|2,0,0]=4 4281 B12R0.233 C=C(C)CCCC(=O)NCCCO 009632558e22042416fa35137d5a7955 [0,2,0,0,0,0|2,0,0]=4 4282 B12R0.233 C=C(C)CCCC(=O)NCCOC a4f69f3a758793b922539d4bb59c4939 [0,2,0,0,0,0|2,0,0]=4 4283 B12R0.233 C=C(C)CCCC(=O)NCCSC 930e8e77b99f21cce2f6f8c427dfc166 [0,2,0,0,0,0|2,0,0]=4 4284 B12R0.233 C=CCCCC(=O)NCCC(=O)N 2dd9aa9ddba9994ee273554ff25ccd98 [0,2,0,0,0,0|2,0,0]=4 4285 B12R0.233 C=CCCCC(=O)NCCS(=O)O 557c26e05f07abd877c70930661dcb76 [0,2,0,0,0,0|2,0,0]=4 4286 B12R0.233 C=CCCCN(C)CCCC(=O)O 5a888c0af6368db4a0dc807b8ad9b287 [0,2,0,0,0,0|2,0,0]=4 4287 B12R0.233 C=CCCNC(=O)CCCC(=O)C 249d103681dc139cc785b206ce2d5fcc [0,2,0,0,0,0|1,0,1]=4 4288 B12R0.233 C=CCCNC(=O)CCCC(=O)N 3748e47d958005b30268a2933f15dd84 [0,2,0,0,0,0|1,0,1]=4 4289 B12R0.233 C=CCCNC(=O)NCCC(=O)O a6e084e35ae675469d5b4b20df90c37b [0,2,0,0,0,0|1,0,1]=4 4290 B12R0.233 CC#CCCC(=O)NCCC(=O)N a76e7b6e69d5ebbd7ffa338005ad7137 [0,2,0,0,0,0|2,0,0]=4 4291 B12R0.233 CC#CCCC(=O)NCCS(=O)O 5b59a06df6108103be6784a071f67f72 [0,2,0,0,0,0|2,0,0]=4 4292 B12R0.233 CC#CCNC(=O)CCCC(=O)C 871473bdaf5a74c1dacf38d67a28fffe [0,2,0,0,0,0|1,0,1]=4 4293 B12R0.233 CC#CCNC(=O)CCCC(=O)N 9745a1072776ea3e8b878cafa49dc4cc [0,2,0,0,0,0|1,0,1]=4 4294 B12R0.233 CC#CCNC(=O)NCCC(=O)O b66de1bf60259e1eafe91d192eed1b98 [0,2,0,0,0,0|1,0,1]=4 4295 B12R0.233 CC(=O)CCCC(=O)NCCC#N 266c075a6bf2a7cadd3d2fb932546f23 [0,2,0,0,0,0|1,0,1]=4 4296 B12R0.233 CC(=O)CCCC(=O)NCCCCl b48172c5e6a512acb8d8560ef7acd96f [0,2,0,0,0,0|1,0,0]=3 4297 B12R0.233 CC(=O)CCCC(=O)NCCCO fb67ce91a0c7779eabadd8911b38d5ff [0,2,0,0,0,0|1,0,0]=3 4298 B12R0.233 CC(=O)CCCC(=O)NCCON 02152c29f4709cf70c08a9c303381208 [0,2,0,0,0,0|2,0,0]=4 4299 B12R0.233 CC(=O)NCCC(=O)NCCCCl 54df6b93f24ed17ebdd8c26eeda6b327 [0,2,0,0,0,0|2,0,0]=4 4300 B12R0.233 CC(=O)NCCC(=O)NCCCO e959905fee3aaf58c5dceebcde51bb21 [0,2,0,0,0,0|2,0,0]=4 4301 B12R0.233 CC(=O)OCCC(=O)NCCCCl b0d7f6c4bd8b0ea29a4abb44d28c4f29 [0,2,0,0,0,0|2,0,0]=4 4302 B12R0.233 CC(=O)OCCC(=O)NCCCO ad7fa32482de3c472c3b97513bc0ebea [0,2,0,0,0,0|2,0,0]=4 4303 B12R0.233 CC(=O)SCCC(=O)NCCCCl d1737eb4f524daaaa8b0f04c3d1c1a83 [0,2,0,0,0,0|2,0,0]=4 4304 B12R0.233 CC(=O)SCCC(=O)NCCCO 5d704a2a1bc761155db53f4da10f1476 [0,2,0,0,0,0|2,0,0]=4 4305 B12R0.233 CC/C=C/CC(=O)NCCC(=O)N d58c15e82d4e7eed0f0a5071d8c12b86 [0,2,0,0,0,0|2,0,0]=4 4306 B12R0.233 CC/C=C/CC(=O)NCCS(=O)O b992f0ec9065b5401d335ba1e3163a98 [0,2,0,0,0,0|2,0,0]=4 4307 B12R0.233 CC/C=C/CN(C)CCCC(=O)O 8ad8dacb9a9356a088bd8e7d74810b67 [0,2,0,0,0,0|2,0,0]=4 4308 B12R0.233 CC/C=C\CC(=O)NCCC(=O)N 63b598523e152b9291cafba5cd6aa9cd [0,2,0,0,0,0|2,0,0]=4 4309 B12R0.233 CC/C=C\CC(=O)NCCS(=O)O b448410b13a8e843356ea2dbdf290a24 [0,2,0,0,0,0|2,0,0]=4 4310 B12R0.233 CC=CCCC(=O)NCCC(=O)N ff1e98b434f5ea58c2b3f9aa39773760 [0,2,0,0,0,0|2,0,0]=4 4311 B12R0.233 CC=CCCC(=O)NCCS(=O)O edfd61e4df0b3b7dba60b40418cebcf1 [0,2,0,0,0,0|2,0,0]=4 4312 B12R0.233 CC=CCNC(=O)CCCC(=O)C f096e2deaea0de02bcf59547434ccc0e [0,2,0,0,0,0|1,0,1]=4 4313 B12R0.233 CC=CCNC(=O)CCCC(=O)N d22ef248b9f9d22c2a07b9dc003210b8 [0,2,0,0,0,0|1,0,1]=4 4314 B12R0.233 CC=CCNC(=O)NCCC(=O)O 8bef24ea5f1e38b20dfa366725108592 [0,2,0,0,0,0|1,0,1]=4 4315 B12R0.233 CCC/C=C/C(=O)NCCC(=O)N 28075d9bbb35a744ca94e3cc6ffe1c1b [0,2,0,0,0,0|2,0,0]=4 4316 B12R0.233 CCC/C=C/C(=O)NCCS(=O)O 4dbbddfcd4761e16d33260139ee78963 [0,2,0,0,0,0|2,0,0]=4 4317 B12R0.233 CCC=CCC(=O)NCCC(=O)N bb036670e7d617104897950c17b71975 [0,2,0,0,0,0|2,0,0]=4 4318 B12R0.233 CCC=CCC(=O)NCCS(=O)O 5c1517c105549ae9d5c65a23036b9f45 [0,2,0,0,0,0|2,0,0]=4 4319 B12R0.233 CCCC#CC(=O)NCCC(=O)N 5d699562ba4354f97b0a02df0ec3bf4e [0,2,0,0,0,0|2,0,0]=4 4320 B12R0.233 CCCC#CC(=O)NCCS(=O)O 3fee76ffe050285a7719d7173ae6f7f0 [0,2,0,0,0,0|2,0,0]=4 4321 B12R0.233 CCCC=CC(=O)NCCC(=O)N 5023d79257e29a43da721e2f5f941cdf [0,2,0,0,0,0|2,0,0]=4 4322 B12R0.233 CCCC=CC(=O)NCCS(=O)O 26735eb178541df56e82c1e4fe6bd0c7 [0,2,0,0,0,0|2,0,0]=4 4323 B12R0.233 CCCCCC(=O)CNCC(=O)C 6979803c352a182dc7cf83a7eb55fc36 [0,2,0,0,0,0|2,0,0]=4 4324 B12R0.233 CCCCCC(=O)CNCC(=O)N 1624396648f164e7bd77195ec427be39 [0,2,0,0,0,0|2,0,0]=4 4325 B12R0.233 CCCCCC(=O)COCC(=O)C ed72604290244ef2364f88d4acd732a8 [0,2,0,0,0,0|2,0,0]=4 4326 B12R0.233 CCCCCC(=O)COCC(=O)N 53ab8d245cf077d2c985a7623e67da9c [0,2,0,0,0,0|2,0,0]=4 4327 B12R0.233 CCCCCC(=O)COCS(=O)O e3da4712ad4f99716888e341dffb62c1 [0,2,0,0,0,0|2,0,0]=4 4328 B12R0.233 CCCCCC(=O)NCCC(=O)N 524c5fd100384fcb881aa249de13183e [0,2,0,0,0,0|2,0,0]=4 4329 B12R0.233 CCCCCC(=O)NCCS(=O)O 54eec11e5513c33cae3ca42cfe9a88f4 [0,2,0,0,0,0|2,0,0]=4 4330 B12R0.233 CCCCCN(C)CCCC(=O)O 0f59389ce29ac8a9b550931c1f546c61 [0,2,0,0,0,0|2,0,0]=4 4331 B12R0.233 CCCCNC(=O)CCCC(=O)C a358c740f127bd9f5a9a662256d126a5 [0,2,0,0,0,0|1,0,0]=3 4332 B12R0.233 CCCCNC(=O)CCCC(=O)N b4166fe329d2a52fb2e41d0483642085 [0,2,0,0,0,0|1,0,0]=3 4333 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 3c853f046765c59fd042f1fac11e1a03 [0,2,0,0,0,0|1,0,1]=4 4334 B12R0.233 CCCCNC(=O)CCNC(=O)C 205b1a053251b19c26d79a518df8c294 [0,2,0,0,0,0|2,0,0]=4 4335 B12R0.233 CCCCNC(=O)CCNC(=O)N 7ab3c9bcc03e51266b1bc84a7ab4f3f8 [0,2,0,0,0,0|2,0,0]=4 4336 B12R0.233 CCCCNC(=O)CCOC(=O)C 4cd65c020e86425e214d08da72565e60 [0,2,0,0,0,0|2,0,0]=4 4337 B12R0.233 CCCCNC(=O)CCSC(=O)C f63409eda7f91f3d65bb6cef850102db [0,2,0,0,0,0|2,0,0]=4 4338 B12R0.233 CCCCNC(=O)CNCC(=O)C 431b6b458bb1b4ff476d20fc3b1a1d7f [0,2,0,0,0,0|2,0,0]=4 4339 B12R0.233 CCCCNC(=O)CNCC(=O)N 3b2019a58173537f905be70ba8d9dc4a [0,2,0,0,0,0|2,0,0]=4 4340 B12R0.233 CCCCNC(=O)CNCC(=O)O 19c8bc2e147960968f0131fec2036efc [0,2,0,0,0,0|1,0,0]=3 4341 B12R0.233 CCCCNC(=O)COCC(=O)C 3c61f0505afc8b95283985e41d925d03 [0,2,0,0,0,0|2,0,0]=4 4342 B12R0.233 CCCCNC(=O)COCC(=O)N 65061068a571bf8aaa9dee4b0951cc30 [0,2,0,0,0,0|2,0,0]=4 4343 B12R0.233 CCCCNC(=O)COCC(=O)O 7bb3c8cfc3f2662a8e59b6454a489ada [0,2,0,0,0,0|1,0,0]=3 4344 B12R0.233 CCCCNC(=O)COCS(=O)O f81c401a1ed90f9733c5dc4199036817 [0,2,0,0,0,0|2,0,0]=4 4345 B12R0.233 CCCCNC(=O)CSCC(=O)N 2b4aff67ab248fc22179f33aba4cde54 [0,2,0,0,0,0|2,0,0]=4 4346 B12R0.233 CCCCNC(=O)NCCC(=O)N 9bffa3186ecd631fa9a5611ab07cf4ed [0,2,0,0,0,0|2,0,0]=4 4347 B12R0.233 CCCCNC(=O)NCCC(=O)O 42453b252a027c5689641548a2a1e964 [0,2,0,0,0,0|1,0,0]=3 4348 B12R0.233 CCCCNC(=O)NCCS(=O)O 6103c5391bf17408bffc1e5fa2c23239 [0,2,0,0,0,0|2,0,0]=4 4349 B12R0.233 CCCCNC(=S)NCCC(=O)O c74f60ebc382ffdcb78cc06e0bcc042b [0,2,0,0,0,0|1,1,0]=4 4350 B12R0.233 CCCCOC(=O)CNCC(=O)C 1cd03b620c809b35920be409ffaee740 [0,2,0,0,0,0|2,0,0]=4 4351 B12R0.233 CCCCOC(=O)CNCC(=O)N d3a477f42cf6ca5daf59cabc5a84d542 [0,2,0,0,0,0|2,0,0]=4 4352 B12R0.233 CCCCOC(=O)CNCC(=O)O 68e3bcf6ae9e6b6f2153181140da15c2 [0,2,0,0,0,0|1,0,0]=3 4353 B12R0.233 CCCCOC(=O)COCC(=O)C 879f6758145a709d89fc01d012a61790 [0,2,0,0,0,0|2,0,0]=4 4354 B12R0.233 CCCCOC(=O)COCC(=O)N 55c83513bcb4bede8d03f3b03a9a61e8 [0,2,0,0,0,0|2,0,0]=4 4355 B12R0.233 CCCCOC(=O)COCC(=O)O 81df919e23e57652cceb95472182a93b [0,2,0,0,0,0|1,0,0]=3 4356 B12R0.233 CCCCOC(=O)COCS(=O)O 2a6569b4acc41fb185355e95d3f00a69 [0,2,0,0,0,0|2,0,0]=4 4357 B12R0.233 CCCNCC(=O)NCCC(=O)O 552a54a423bfaa0263c34de20a6b6e77 [0,2,0,0,0,0|1,0,0]=3 4358 B12R0.233 CCCOCC(=O)NCCC(=O)N 5f75b9531b00250f2df5ed8ad88d4efc [0,2,0,0,0,0|2,0,0]=4 4359 B12R0.233 CCCOCC(=O)NCCC(=O)O 43c32442780197b97f2822a8c192de15 [0,2,0,0,0,0|1,0,0]=3 4360 B12R0.233 CCCOCC(=O)NCCS(=O)O 157d7ca47e745cee4c3c809cca198951 [0,2,0,0,0,0|2,0,0]=4 4361 B12R0.233 CCCSCC(=O)NCCC(=O)N 63897afbab1f25c3506182d2e7839f1d [0,2,0,0,0,0|2,0,0]=4 4362 B12R0.233 CCCSCC(=O)NCCS(=O)O 489c4adbca6230f73f13c54409a24c40 [0,2,0,0,0,0|2,0,0]=4 4363 B12R0.233 CCNCCC(=O)NCCC(=O)O 0b0f780f6159efb5cbb34c9adb1d197d [0,2,0,0,0,0|1,0,0]=3 4364 B12R0.233 CCOCCC(=O)NCCC(=O)N 5307364f13963a5f4c73fea5b37c8422 [0,2,0,0,0,0|2,0,0]=4 4365 B12R0.233 CCOCCC(=O)NCCS(=O)O 3661075af09dd0d084842cdcc260ee59 [0,2,0,0,0,0|2,0,0]=4 4366 B12R0.233 CCOCCN(C)CCCC(=O)O 6aef330a076b8127b2bd061076bee961 [0,2,0,0,0,0|2,0,0]=4 4367 B12R0.233 CCSCCC(=O)NCCC(=O)N 55045c9944f53ba2cf1517cd92a620cd [0,2,0,0,0,0|2,0,0]=4 4368 B12R0.233 CCSCCC(=O)NCCS(=O)O 7924735c7c51fd60d82474e703d9f332 [0,2,0,0,0,0|2,0,0]=4 4369 B12R0.233 CCSCCN(C)CCCC(=O)O 99ac97fe1f8b0a5aefb2c50ef393b86b [0,2,0,0,0,0|2,0,0]=4 4370 B12R0.233 CN(CCCC#N)CCCC(=O)O 68caa4d59454e2c75d87638013981914 [0,2,0,0,0,0|2,0,0]=4 4371 B12R0.233 CN(CCCC=O)CCCC(=O)O 764dff45e55a563c3ec4eeb038047179 [0,2,0,0,0,0|2,0,0]=4 4372 B12R0.233 CN(CCCCF)CCCC(=O)O 6b6b4fb5e076a441a787337c7747285e [0,2,0,0,0,0|2,0,0]=4 4373 B12R0.233 CN(CCCCO)CCCC(=O)O 96ac4275a14c9fa9ba9151eb09358feb [0,2,0,0,0,0|2,0,0]=4 4374 B12R0.233 COCCCC(=O)NCCC(=O)N 9bfcfa378f95b714f15a17d909fcba18 [0,2,0,0,0,0|2,0,0]=4 4375 B12R0.233 COCCCC(=O)NCCS(=O)O dfec71d91cb955509fefb3dc0fcc1f61 [0,2,0,0,0,0|2,0,0]=4 4376 B12R0.233 COCCCN(C)CCCC(=O)O 331412dc237aed0ca1f5d8324a6e1830 [0,2,0,0,0,0|2,0,0]=4 4377 B12R0.233 COCCNC(=O)CCCC(=O)C a5eebd38795fe25014a1c179cf05c363 [0,2,0,0,0,0|1,0,0]=3 4378 B12R0.233 COCCNC(=O)CCCC(=O)N 837d65457a6689f95c017faeef8f7ea6 [0,2,0,0,0,0|1,0,0]=3 4379 B12R0.233 COCCNC(=O)CCC[N+](=O)[O-] 97ef7e3ba8e44508223eb13835dcaf43 [0,2,0,0,0,0|1,0,1]=4 4380 B12R0.233 COCCNC(=O)CCNC(=O)C 227dd0d63519d4819383754c7885bcc8 [0,2,0,0,0,0|2,0,0]=4 4381 B12R0.233 COCCNC(=O)CCNC(=O)N 75da50bd90403bad7ef85cda5cf445f4 [0,2,0,0,0,0|2,0,0]=4 4382 B12R0.233 COCCNC(=O)CCOC(=O)C c58aadce63ce1779e265dfe65b10a451 [0,2,0,0,0,0|2,0,0]=4 4383 B12R0.233 COCCNC(=O)CCSC(=O)C be6854fd13a071e066722c180f5a5e27 [0,2,0,0,0,0|2,0,0]=4 4384 B12R0.233 COCCNC(=O)CNCC(=O)C 87931da42c10ed1162f9ea429dfb6661 [0,2,0,0,0,0|2,0,0]=4 4385 B12R0.233 COCCNC(=O)CNCC(=O)N 460bd929e7474014c4dc18f522ec7106 [0,2,0,0,0,0|2,0,0]=4 4386 B12R0.233 COCCNC(=O)CNCC(=O)O 99bfd42042f7071b0b33babafbae6559 [0,2,0,0,0,0|1,0,0]=3 4387 B12R0.233 COCCNC(=O)COCC(=O)C e59fd6a29333d5d6a088b660e426decc [0,2,0,0,0,0|2,0,0]=4 4388 B12R0.233 COCCNC(=O)COCC(=O)N d0f7a049c1b4b901f47cbfad4d231ce6 [0,2,0,0,0,0|2,0,0]=4 4389 B12R0.233 COCCNC(=O)COCS(=O)O abca152d035464e86f9f4cf6f042c1fa [0,2,0,0,0,0|2,0,0]=4 4390 B12R0.233 COCCNC(=O)CSCC(=O)N 2660267352d8f061f89f7083af574b4b [0,2,0,0,0,0|2,0,0]=4 4391 B12R0.233 COCCNC(=O)NCCC(=O)N 3f77284408dfdb43c2bc1fc6044efbaa [0,2,0,0,0,0|2,0,0]=4 4392 B12R0.233 COCCNC(=O)NCCC(=O)O f355953709250902147d38ddad1857f4 [0,2,0,0,0,0|1,0,0]=3 4393 B12R0.233 COCCNC(=O)NCCS(=O)O 961be72b0e8ad9ce85bc265f37cf7e09 [0,2,0,0,0,0|2,0,0]=4 4394 B12R0.233 COCCNC(=S)NCCC(=O)O 216c46b53afb2d65263dee668cc0087a [0,2,0,0,0,0|1,1,0]=4 4395 B12R0.233 COCCOC(=O)CNCC(=O)C 1cf6db21a5296230385f08ed0cda6752 [0,2,0,0,0,0|2,0,0]=4 4396 B12R0.233 COCCOC(=O)CNCC(=O)N 760e8dbabc89294340ceabda8873fb97 [0,2,0,0,0,0|2,0,0]=4 4397 B12R0.233 COCCOC(=O)CNCC(=O)O c319286cb34a8e8d8c32151906043627 [0,2,0,0,0,0|1,0,0]=3 4398 B12R0.233 COCCOC(=O)COCC(=O)C cf5fb8dab507083a8249b1fcb4f193de [0,2,0,0,0,0|2,0,0]=4 4399 B12R0.233 COCCOC(=O)COCC(=O)N 9acd09eb37470693e1a00c23cbb59ef0 [0,2,0,0,0,0|2,0,0]=4 4400 B12R0.233 COCCOC(=O)COCC(=O)O 81b785c2285872ab0902170ae37eea69 [0,2,0,0,0,0|1,0,0]=3 4401 B12R0.233 COCCOC(=O)COCS(=O)O 9206ac5b95363a4390cdb623cdf9555d [0,2,0,0,0,0|2,0,0]=4 4402 B12R0.233 COCOCC(=O)NCCC(=O)O cd3336882d8a66509b2a9f11ea44e3d1 [0,2,0,0,0,0|1,0,0]=3 4403 B12R0.233 CSCCCC(=O)NCCC(=O)N 3a2d3781ab3d4f2fc9374535f6d5c06e [0,2,0,0,0,0|2,0,0]=4 4404 B12R0.233 CSCCCC(=O)NCCS(=O)O 0f49d6a04dc8b1c63814750c0821895d [0,2,0,0,0,0|2,0,0]=4 4405 B12R0.233 CSCCCN(C)CCCC(=O)O 85b53ede0fef6f17191ff6e3331e490d [0,2,0,0,0,0|2,0,0]=4 4406 B12R0.233 CSCCNC(=O)CCCC(=O)C d3863d12e934e01f32f92222df461e3a [0,2,0,0,0,0|1,0,0]=3 4407 B12R0.233 CSCCNC(=O)CCCC(=O)N 92abf29af7451fe524a9ef874fc1dae3 [0,2,0,0,0,0|1,0,0]=3 4408 B12R0.233 CSCCNC(=O)CCC[N+](=O)[O-] 563edc13b794603dfd67487390864f7b [0,2,0,0,0,0|1,0,1]=4 4409 B12R0.233 CSCCNC(=O)CCNC(=O)C 69c566a401d389a52f529c6c0d8550a1 [0,2,0,0,0,0|2,0,0]=4 4410 B12R0.233 CSCCNC(=O)CCNC(=O)N 6c5f7fc2eb008ac02553b92642165e7f [0,2,0,0,0,0|2,0,0]=4 4411 B12R0.233 CSCCNC(=O)CCOC(=O)C 0f0ca056740e9e926c61f333b01c6390 [0,2,0,0,0,0|2,0,0]=4 4412 B12R0.233 CSCCNC(=O)CCSC(=O)C befed58c3bfef5dabc49cdd9d05dc4fc [0,2,0,0,0,0|2,0,0]=4 4413 B12R0.233 CSCCNC(=O)COCC(=O)N 1755085e59ba4aa631af3ef8e10d82f6 [0,2,0,0,0,0|2,0,0]=4 4414 B12R0.233 CSCCNC(=O)CSCC(=O)N 79c7ce2a35fb71c630188c12b1154e6d [0,2,0,0,0,0|2,0,0]=4 4415 B12R0.233 CSCCNC(=O)NCCC(=O)N b83605f9b22ecceb234d1729e4fbf822 [0,2,0,0,0,0|2,0,0]=4 4416 B12R0.233 CSCCNC(=O)NCCC(=O)O 12d6a53b22d2dd6303b0cf19cd92dd74 [0,2,0,0,0,0|1,0,0]=3 4417 B12R0.233 CSCCNC(=O)NCCS(=O)O d1b596f24d2baea1e4830b8df33b9094 [0,2,0,0,0,0|2,0,0]=4 4418 B12R0.233 CSCCNC(=S)NCCC(=O)O 50fd75a4283cf666456bcf95306fef08 [0,2,0,0,0,0|1,1,0]=4 4419 B12R0.233 CSSCCC(=O)NCCC(=O)N a40007b5e48803f8d5a20d11a880dab4 [0,2,0,0,0,0|2,0,0]=4 4420 B12R0.233 CSSCCC(=O)NCCS(=O)O 3b9435b7e7a78fd49bda2e02b78dc205 [0,2,0,0,0,0|2,0,0]=4 4421 B12R0.233 N#CCCCC(=O)NCCC(=O)N d9c2aafcc896344c1b62933077e98023 [0,2,0,0,0,0|2,0,0]=4 4422 B12R0.233 N#CCCCC(=O)NCCS(=O)O 6a576af9e90c2e6e63ac107c3ccac913 [0,2,0,0,0,0|2,0,0]=4 4423 B12R0.233 N#CCCNC(=O)CCCC(=O)N 8103a458405a78b23afae9c1226c7d5f [0,2,0,0,0,0|1,0,1]=4 4424 B12R0.233 N#CCCNC(=O)CNCC(=O)O 922f0e5563affb5b8df8c80309b0c2cd [0,2,0,0,0,0|1,0,1]=4 4425 B12R0.233 N#CCCNC(=O)COCC(=O)O 48227883861c44e3c5fe3a1d6c780530 [0,2,0,0,0,0|1,0,1]=4 4426 B12R0.233 N#CCCNC(=O)NCCC(=O)O 5f51238458ac81cbbb684510a5027500 [0,2,0,0,0,0|1,0,1]=4 4427 B12R0.233 N#CCNCC(=O)NCCC(=O)O 6f828ea9e36d401b1f3e19986d1f4037 [0,2,0,0,0,0|1,0,1]=4 4428 B12R0.233 N#CCOCC(=O)NCCC(=O)O e10d5b5c7f0ed7b9dc2232e82d04b91c [0,2,0,0,0,0|1,0,1]=4 4429 B12R0.233 NC(=O)CCCC(=O)NCCCCl c6078813a5df3ffdd562fca30af34ca2 [0,2,0,0,0,0|1,0,0]=3 4430 B12R0.233 NC(=O)CCCC(=O)NCCCO 2ed81412e41d33316029a53b1484bbe8 [0,2,0,0,0,0|1,0,0]=3 4431 B12R0.233 NC(=O)CCNC(=O)CCCC=O ea5a0fdab8e408004e40c0b19de1052d [0,2,0,0,0,0|2,0,0]=4 4432 B12R0.233 NC(=O)CCNC(=O)CCCCF 434823e3698b3a3bf6bab2167750a989 [0,2,0,0,0,0|2,0,0]=4 4433 B12R0.233 NC(=O)CCNC(=O)CCCCO a905b8ca41086660e412ff598120570e [0,2,0,0,0,0|2,0,0]=4 4434 B12R0.233 NC(=O)CCNC(=O)CCCCS d67505927ad14dcea9e108744ffde7ce [0,2,0,0,0,0|2,0,0]=4 4435 B12R0.233 NC(=O)CCNC(=O)COCCO f6beac36395531c8de70e3cdc9fc1d39 [0,2,0,0,0,0|2,0,0]=4 4436 B12R0.233 NC(=O)CCNC(=O)COCCS 13ea8b404f20ae50ea9b9e5f8ef8809e [0,2,0,0,0,0|2,0,0]=4 4437 B12R0.233 NC(=O)CCNC(=O)NCCCO 0782d43879aea3b7bfb1b21e34ae7520 [0,2,0,0,0,0|2,0,0]=4 4438 B12R0.233 NC(=O)COCC(=O)NCCCCl e850e767abd88e788e919f816be07534 [0,2,0,0,0,0|2,0,0]=4 4439 B12R0.233 NC(=O)COCC(=O)NCCCO 29c53393776a3e982ff80dc87cd5298c [0,2,0,0,0,0|2,0,0]=4 4440 B12R0.233 NC(=O)CSCC(=O)NCCCCl 8a5b69a370857a8084c1e478d40fc505 [0,2,0,0,0,0|2,0,0]=4 4441 B12R0.233 NC(=O)CSCC(=O)NCCCO dc735008eff1862b96411daf54c41364 [0,2,0,0,0,0|2,0,0]=4 4442 B12R0.233 NC(=O)NCCC(=O)NCCCCl 8c01f94095c9b9e15fa74d1e6130419e [0,2,0,0,0,0|2,0,0]=4 4443 B12R0.233 NC(=O)NCCC(=O)NCCCO 48782f06babf3be438e8f5ee9b132648 [0,2,0,0,0,0|2,0,0]=4 4444 B12R0.233 NCCCNC(=O)NCCC(=O)N 7f4b151d2b5e23b40802660ae8a9b8d4 [0,2,0,0,0,0|2,0,0]=4 4445 B12R0.233 NCCCNC(=O)NCCC(=O)O 84efaf3c2a9e134858c323438243912c [0,2,0,0,0,0|1,0,0]=3 4446 B12R0.233 NCCCNC(=O)NCCS(=O)O f0fd161f33fb5b135ace147d5ef8982d [0,2,0,0,0,0|2,0,0]=4 4447 B12R0.233 NCCCNC(=S)NCCC(=O)O 562ea10ad978db67b843213c0beb2fa8 [0,2,0,0,0,0|1,1,0]=4 4448 B12R0.233 NOCCNC(=O)CCCC(=O)N 653bdf5d51cb850e1d31ae7c70102523 [0,2,0,0,0,0|2,0,0]=4 4449 B12R0.233 NOCCNC(=O)NCCC(=O)O 5aad07a84ec42b44af9d51cc12685617 [0,2,0,0,0,0|2,0,0]=4 4450 B12R0.233 O=C(CCCCF)NCCS(=O)O f9aeb056ba8234750d1498240fafcfb8 [0,2,0,0,0,0|2,0,0]=4 4451 B12R0.233 O=C(CCCCO)NCCS(=O)O 4915e97702702086b3683d3d159a5ee1 [0,2,0,0,0,0|2,0,0]=4 4452 B12R0.233 O=C(CCCCS)NCCS(=O)O ce2889bb66735ea7f811925b5dfc2029 [0,2,0,0,0,0|2,0,0]=4 4453 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCCl edc6b4a731b1a39dc24855a41d01d48f [0,2,0,0,0,0|1,0,1]=4 4454 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCO 6ba9963a36b05d974a8cd179388e2e65 [0,2,0,0,0,0|1,0,1]=4 4455 B12R0.233 O=C(COCCO)NCCS(=O)O b93f8ffda4107fba9f9dbdb8808d73ed [0,2,0,0,0,0|2,0,0]=4 4456 B12R0.233 O=C(COCCS)NCCS(=O)O bc464eabf57b8d3803c78c8331a5f365 [0,2,0,0,0,0|2,0,0]=4 4457 B12R0.233 O=C(NCCCO)NCCS(=O)O d175a2afb8a8f5ff3490d36a054909ce [0,2,0,0,0,0|2,0,0]=4 4458 B12R0.233 O=C(O)CCNC(=O)CCNCF 0908c41741705261b79dae9bbc99bd50 [0,2,0,0,0,0|1,0,0]=3 4459 B12R0.233 O=C(O)CCNC(=O)CCNCO c668f8de3c91b8f3c36474481a27d327 [0,2,0,0,0,0|1,0,0]=3 4460 B12R0.233 O=C(O)CCNC(=O)CNCCBr 82c26b5c0defe24c7600ee9ab320c78e [0,2,0,0,0,0|1,0,0]=3 4461 B12R0.233 O=C(O)CCNC(=O)CNCCF 7c7326b7963c2f704f2de2ab09dbb850 [0,2,0,0,0,0|1,0,0]=3 4462 B12R0.233 O=C(O)CCNC(=O)CNCCI 3fd05e0cd09f047e548d4b75ef94870a [0,2,0,0,0,0|1,0,0]=3 4463 B12R0.233 O=C(O)CCNC(=O)CNCCO 46ccb0b79833af141004734b1969fa73 [0,2,0,0,0,0|1,0,0]=3 4464 B12R0.233 O=C(O)CCNC(=O)CNCCS 170ded989edef3617ff4f64a402438f1 [0,2,0,0,0,0|1,0,0]=3 4465 B12R0.233 O=C(O)CCNC(=O)COCCF 45a5a31ce33724fabe27acef373efb80 [0,2,0,0,0,0|1,0,0]=3 4466 B12R0.233 O=C(O)CCNC(=O)COCCS 0228674913509805b30591a4db6c0f6b [0,2,0,0,0,0|1,0,0]=3 4467 B12R0.233 O=C(O)CCNC(=O)NCCCO fc8a79fc953df34a03cc72aed085d0a3 [0,2,0,0,0,0|1,0,0]=3 4468 B12R0.233 O=C(O)CCNC(=S)NCCCO f2de2683d206f4f6be8d73f45a8deb49 [0,2,0,0,0,0|1,1,0]=4 4469 B12R0.233 O=CCCCC(=O)NCCS(=O)O f4beee3c6141761eb367af5a44b82fc8 [0,2,0,0,0,0|2,0,0]=4 4470 B12R0.285 C=COC(=O)CNCC(=O)NCC 9b7fed7e9c59cee8d6ecba1ded2ae80b [0,2,0,0,0,0|2,0,0]=4 4471 B12R0.285 C=COC(=O)CNCC(=O)OCC 86d50941c61635df4287c4aac5b96e0a [0,2,0,0,0,0|2,0,0]=4 4472 B12R0.285 C=COC(=O)COCC(=O)NCC d76d0e158bc6fc6e4614413f9d8b3e5b [0,2,0,0,0,0|2,0,0]=4 4473 B12R0.285 C=COC(=O)COCC(=O)OCC 53881d0ba56c89b7e97293e5460beb01 [0,2,0,0,0,0|2,0,0]=4 4474 B12R0.285 CCCC(=O)CCCC(=O)NC#N 1c3cfb57dc9e59e6d609c6eb70cf0a6c [0,2,0,0,0,0|1,0,0]=3 4475 B12R0.285 CCCC(=O)CNCC(=O)NCC d9c1d00d3bed65207ca66f874a5e414e [0,2,0,0,0,0|2,0,0]=4 4476 B12R0.285 CCCC(=O)CNCC(=O)OCC 4273b410c54abbca5e56f1e24fcf3456 [0,2,0,0,0,0|1,0,0]=3 4477 B12R0.285 CCCC(=O)COCC(=O)NCC 9a0a615b1fcc645e4218f557b1ef35e8 [0,2,0,0,0,0|2,0,0]=4 4478 B12R0.285 CCCC(=O)COCC(=O)OCC cfebe1bb4f0b1a45ba0eabc2a4ae09be [0,2,0,0,0,0|1,0,0]=3 4479 B12R0.285 CCCC(=O)NCCC(=O)OCC 2a4c82757e413b6c1114d6f6ab2b9be3 [0,2,0,0,0,0|1,0,0]=3 4480 B12R0.285 CCCC(=S)OCCC(=O)OCC 4f9217f816851d2da20ce05ae421a9b7 [0,2,0,0,0,0|1,1,0]=4 4481 B12R0.285 CCCN(C)CCCC(=O)OCC a417deae33e74bf3b32cd7c1877e42ee [0,2,0,0,0,0|2,0,0]=4 4482 B12R0.285 CCNC(=O)CCCC(=O)NC#N b93f9a5a16bb1bd255a552de521a0879 [0,2,0,0,0,0|2,0,0]=4 4483 B12R0.285 CCNC(=O)CNCC(=O)COC ce764fbcf7080d84d5f8d788abba896d [0,2,0,0,0,0|2,0,0]=4 4484 B12R0.285 CCNC(=O)CNCC(=O)NCO ef39a96b4dd2f353d3fdbaafd56ac29e [0,2,0,0,0,0|2,0,0]=4 4485 B12R0.285 CCNC(=O)CNCC(=O)OCC f17e43c7b0d0cb431cfd42a984068efa [0,2,0,0,0,0|2,0,0]=4 4486 B12R0.285 CCNC(=O)COCC(=O)COC aa3fb2530a3654c9e81b6737997d7e80 [0,2,0,0,0,0|2,0,0]=4 4487 B12R0.285 CCNC(=O)COCC(=O)OCC e88652a1c49249d7fb001813de7051bb [0,2,0,0,0,0|2,0,0]=4 4488 B12R0.285 CCOC(=O)CCCC(=O)NC#N 1e720a19f4993de2fd0f7f868a99217b [0,2,0,0,0,0|2,0,0]=4 4489 B12R0.285 CCOC(=O)CCNC(=O)CCF e750b0a8f4bdffb37f82315507d3d519 [0,2,0,0,0,0|2,0,0]=4 4490 B12R0.285 CCOC(=O)CCNC(=O)CCO 5d92ccad0667c7244dc530b15547079b [0,2,0,0,0,0|2,0,0]=4 4491 B12R0.285 CCOC(=O)CCNC(=O)CCS 5fba45a226005a2710426d8c37c34b78 [0,2,0,0,0,0|2,0,0]=4 4492 B12R0.285 CCOC(=O)CCNC(=O)COC ed6d215ea7c829ad00d0eb591175309c [0,2,0,0,0,0|2,0,0]=4 4493 B12R0.285 CCOC(=O)CCNC(=O)CON a4c7668975b6987e87a6bf3431320efe [0,2,0,0,0,0|2,0,0]=4 4494 B12R0.285 CCOC(=O)CCNC(=O)CSC c461646afd2f2ee75c1ab8ad665f6adb [0,2,0,0,0,0|2,0,0]=4 4495 B12R0.285 CCOC(=O)CNCC(=O)COC 870ca73963c3ba6f9dbae4cdd211c8fb [0,2,0,0,0,0|2,0,0]=4 4496 B12R0.285 CCOC(=O)CNCC(=O)NCO f55193f021bb7d6e776a22726884efa4 [0,2,0,0,0,0|2,0,0]=4 4497 B12R0.285 CCOC(=O)CNCC(=O)OCC c5e9f12bd99604f44a8760d3481a2ec4 [0,2,0,0,0,0|2,0,0]=4 4498 B12R0.285 CCOC(=O)COCC(=O)COC 15059fcd407ed6685d0e920803002aed [0,2,0,0,0,0|2,0,0]=4 4499 B12R0.285 CCOC(=O)COCC(=O)OCC 5119be93224814f3fb619a0906f301bd [0,2,0,0,0,0|2,0,0]=4 4500 B10R1.31 CCN1CCC(C1)C(=O)O c6ab06b42eb214fd7bf4d162e9cf09ca [1,0,0,1,0,0|2,0,0]=4 4501 B10R1.31 CCN1CC[C@@H](C1)C(=O)O f470b10a1439f229c4fd1d97ea38dce4 [1,0,0,1,0,0|2,0,0]=4 4502 B10R1.31 CCN1CC[C@H](C1)C(=O)O 6fcabbaec4e96b21d63b1d5e1ab6c74e [1,0,0,1,0,0|2,0,0]=4 4503 B10R1.54 O=C(O)CN1CNC(=O)C1 3244148a865c381d9bea8445acb16e31 [1,0,0,1,0,0|2,0,0]=4 4504 B10R1.117 NC(=O)COC1CCC1=O 33ce11329f7b6d6379e9549388b47914 [1,0,0,1,0,0|2,0,0]=4 4505 B10R1.117 O=C(O)CN[C@H]1CNC1=O 9c1e9226a6513b9d3a844532bed1387f [1,0,0,1,0,0|2,0,0]=4 4506 B10R1.117 O=C(O)COC1CCC1=O f85507f7cfd76c6c2e069cde33eeed2c [1,0,0,1,0,0|1,0,0]=3 4507 B10R1.150 CCN(C)CC1CC(=O)O1 cd7c68f44456e7ffcc3ee0f82f465e37 [1,0,0,1,0,0|2,0,0]=4 4508 B10R1.168 CCN1CC(C1)CC(=O)O 0fe00fb68d3b28f44804203d80040b8f [1,0,0,1,0,0|2,0,0]=4 4509 B10R1.408 CCN(C)[C@@H]1C[C@@H]1C(=O)O dbe59630fb49137616c4acf939d6baf7 [1,0,0,1,0,0|2,0,0]=4 4510 B10R1.408 CCN(C)[C@H]1C[C@@H]1C(=O)O 7a984599968ea2e4b03ed4dcb3648a53 [1,0,0,1,0,0|2,0,0]=4 4511 B10R1.408 CCN(C)[C@H]1C[C@H]1C(=O)O 84ec41749e818ea8a0877b4d51fd1ee9 [1,0,0,1,0,0|2,0,0]=4 4512 B10R1.10 CCCN1CCCC(=O)C1 7297bca07aecf137a110922d2e01ce93 [1,0,0,1,0,0|2,0,0]=4 4513 B10R1.16 CCCOC1CCC(=O)C1 0118665d271ddbcc63e9ba5f111fa1f6 [1,0,0,1,0,0|2,0,0]=4 4514 B10R1.16 CCOCC1CCC(=O)O1 68878c40f0d88997c0eac48c9395a889 [1,0,0,1,0,0|1,0,1]=4 4515 B10R1.16 CCOC[C@@H]1CCC(=O)O1 fa116338e507c856f655864f1fa338d4 [1,0,0,1,0,0|1,0,1]=4 4516 B10R1.16 CCOC[C@H]1CCC(=O)O1 5ea62a9b88a47b06d381abba60ed3ed7 [1,0,0,1,0,0|1,0,1]=4 4517 B10R1.18 O=C(O)CN1CC=CCC1 2ec65e7b8b50a2d37f2f7faf07e4bb0e [1,0,0,1,0,0|1,0,1]=4 4518 B10R1.18 O=C(O)CN1CCCOC1 276c9e6db5c50efdf0013ee255981aea [1,0,0,1,0,0|2,0,0]=4 4519 B10R1.18 O=C(O)CN1CCCSC1 969c23a84a85279fbc953810ec4f4635 [1,0,0,1,0,0|2,0,0]=4 4520 B10R1.24 CCCNCC1CC(=O)C1 69d0656586039c9a3f29e223cb7e102c [1,0,0,1,0,0|2,0,0]=4 4521 B10R1.24 CCCNCC1CC(=O)N1 91949a9791988ee6b03a2cc9aa02034c [1,0,0,1,0,0|2,0,0]=4 4522 B10R1.24 CCCNCC1CC(=O)O1 e6188be948b9442c83f4afcd8259e636 [1,0,0,1,0,0|1,0,0]=3 4523 B10R1.24 CCCOCC1CC(=O)C1 a1cbdd7bcf1e991eeb69ed53fa2d5fe5 [1,0,0,1,0,0|2,0,0]=4 4524 B10R1.24 CCCOCC1CC(=O)N1 f12a865c3d4e20fd9c0cc8bf1dc053ab [1,0,0,1,0,0|2,0,0]=4 4525 B10R1.24 CCCOCC1CC(=O)O1 98deb66a78aedaf4cee6d6522de3a253 [1,0,0,1,0,0|1,0,0]=3 4526 B10R1.24 CCCOC[C@@H]1CC(=O)N1 e71eb4334a39698bd2d109adc70a70ab [1,0,0,1,0,0|2,0,0]=4 4527 B10R1.24 CCCOC[C@H]1CC(=O)N1 5bc849df37602b2a716ac985f9970e6b [1,0,0,1,0,0|2,0,0]=4 4528 B10R1.24 COCOCC1CC(=O)O1 136c5c10a95675b6f7738f0ed6687602 [1,0,0,1,0,0|2,0,0]=4 4529 B10R1.24 O=C1CC(O1)CNCCBr fb075682211b5e34d372b9a3782780e8 [1,0,0,1,0,0|2,0,0]=4 4530 B10R1.24 O=C1CC(O1)CNCCF d10f07095dbb519fc8dd151941992524 [1,0,0,1,0,0|2,0,0]=4 4531 B10R1.24 O=C1CC(O1)CNCCI 9fc8c7c7652a6f092d3b5e16249b5056 [1,0,0,1,0,0|2,0,0]=4 4532 B10R1.24 O=C1CC(O1)CNCCO 82df5165eb76785f682a4d2d525d68b5 [1,0,0,1,0,0|2,0,0]=4 4533 B10R1.24 O=C1CC(O1)CNCCS 9a812677641d0575e358d9c777b1d45c [1,0,0,1,0,0|2,0,0]=4 4534 B10R1.24 O=C1CC(O1)COCCF 51877d1ffbce2d1102f92ec0c95994b5 [1,0,0,1,0,0|2,0,0]=4 4535 B10R1.24 O=C1CC(O1)COCCS 5af6cd8953fa5b9cccb81a415e8efe0e [1,0,0,1,0,0|2,0,0]=4 4536 B10R1.39 CCN1CCCC1C(=O)O c3983076958b8fb46558aab447120d49 [1,0,0,1,0,0|1,0,1]=4 4537 B10R1.39 CCN1CCC[C@@H]1C(=O)O 349d3c609c75982b622124f07b341c44 [1,0,0,1,0,0|1,0,1]=4 4538 B10R1.39 CCN1CCC[C@H]1C(=O)O cf8e675da710a8a6e34bef600c46b98f [1,0,0,1,0,0|1,0,1]=4 4539 B10R1.64 CC1CCCN1CC(=O)O 71eb304a1d401775d27fc0753a674b0b [1,0,0,1,0,0|1,0,1]=4 4540 B10R1.64 C[C@@H]1CCCN1CC(=O)O 9b818000ca3132ec26b67b1ab81d55f9 [1,0,0,1,0,0|1,0,1]=4 4541 B10R1.64 C[C@H]1CCCN1CC(=O)O 64061d78ea2e51d3ac2a9c61feca08be [1,0,0,1,0,0|1,0,1]=4 4542 B10R1.66 O=C(O)CNC1CCCC1 fb567dda9f1fcebaac0043a4fd3325ce [1,0,0,1,0,0|1,0,1]=4 4543 B10R1.66 O=C(O)COC1C=CCC1 516af6899b9a378445553ab94f04bd0f [1,0,0,1,0,0|1,0,1]=4 4544 B10R1.66 O=C(O)COC1CCCC1 5d3de03f73830ac26dc91c46fa3d4104 [1,0,0,1,0,0|1,0,1]=4 4545 B10R1.66 O=C(O)COC1CCCO1 9af41fcd5b2bf45f089ffbb228468f59 [1,0,0,1,0,0|2,0,0]=4 4546 B10R1.86 CCCN1CCC1C(=O)N 35d1b93e33c2b266d54f8780ed2b7ffa [1,0,0,1,0,0|2,0,0]=4 4547 B10R1.86 CCCN1CCC1C(=O)O 4b455e0294207b1a2bf667cca1518823 [1,0,0,1,0,0|1,0,0]=3 4548 B10R1.86 CCCN1CC[C@@H]1C(=O)N 2816a3560ebdcb13b04668ba0a938ba7 [1,0,0,1,0,0|2,0,0]=4 4549 B10R1.86 CCCN1CC[C@@H]1C(=O)O d13b2957294e68e46c0da3b6d0fff09d [1,0,0,1,0,0|1,0,0]=3 4550 B10R1.86 CCCN1CC[C@H]1C(=O)N 80639e7c53f8b8293ed9f7dceaa5030b [1,0,0,1,0,0|2,0,0]=4 4551 B10R1.86 CCCN1CC[C@H]1C(=O)O db973ca0f7546753e639c1a516b768cc [1,0,0,1,0,0|1,0,0]=3 4552 B10R1.86 CCN[C@H]1CC[C@H]1C(=O)O 89c0dfdc99ab72737959c668e1a06333 [1,0,0,1,0,0|1,0,1]=4 4553 B10R1.86 CCOC1CCC1C(=O)O 24e9d7678dd5393f5b6092a46418ac5a [1,0,0,1,0,0|1,0,1]=4 4554 B10R1.86 CCO[C@H]1CC[C@@H]1C(=O)O 225858fcf1b537db229804c5703f595a [1,0,0,1,0,0|1,0,1]=4 4555 B10R1.86 COCN1CCC1C(=O)O 3204f98a1589884ef4919069312d5439 [1,0,0,1,0,0|2,0,0]=4 4556 B10R1.86 COCN1CC[C@@H]1C(=O)O 678f3401d65dab1541a8ea717354c365 [1,0,0,1,0,0|2,0,0]=4 4557 B10R1.86 COCN1CC[C@H]1C(=O)O 2a21aceeafdeef8f6d6f8b5d0fe9e526 [1,0,0,1,0,0|2,0,0]=4 4558 B10R1.86 CSCN1CCC1C(=O)O 06b3a26ab590f56c6c04e8f4851d2737 [1,0,0,1,0,0|2,0,0]=4 4559 B10R1.86 CSCN1CC[C@@H]1C(=O)O 78d7ed147126e3a49f5a824faa209a2c [1,0,0,1,0,0|2,0,0]=4 4560 B10R1.86 CSCN1CC[C@H]1C(=O)O 03066c57d20cc6511320a42980afb9f1 [1,0,0,1,0,0|2,0,0]=4 4561 B10R1.86 O=C(O)C1CCN1CCF 05cfa42e24b7dce2b6038a22b0e7b4fe [1,0,0,1,0,0|2,0,0]=4 4562 B10R1.86 O=C(O)C1CCN1CCO 5e9f8d63cba1346be944dc9207f7b6a3 [1,0,0,1,0,0|2,0,0]=4 4563 B10R1.86 O=C(O)C1CCN1CCS 1baa29c98878247171f5e8eb80d19c98 [1,0,0,1,0,0|2,0,0]=4 4564 B10R1.86 O=C(O)[C@@H]1CCN1CCF 0cc7903d956de86eb486b927d2d40f7d [1,0,0,1,0,0|2,0,0]=4 4565 B10R1.86 O=C(O)[C@@H]1CCN1CCO 7b8d82e4be67ae9c9f601bf99eca2156 [1,0,0,1,0,0|2,0,0]=4 4566 B10R1.86 O=C(O)[C@@H]1CCN1CCS 974cdca7a75dea667e823ac5a13a3935 [1,0,0,1,0,0|2,0,0]=4 4567 B10R1.86 O=C(O)[C@H]1CCN1CCF a09d4e8d71af1e53f6be98cf98b954a7 [1,0,0,1,0,0|2,0,0]=4 4568 B10R1.86 O=C(O)[C@H]1CCN1CCO c90376d55b9d739e0d2bfc0719c9e760 [1,0,0,1,0,0|2,0,0]=4 4569 B10R1.86 O=C(O)[C@H]1CCN1CCS 257b1529f281cd366033afd679782596 [1,0,0,1,0,0|2,0,0]=4 4570 B10R1.126 CC(=O)CCCNC1CC1 aeee14142a81454606c7ce924dca3586 [1,0,0,1,0,0|2,0,0]=4 4571 B10R1.126 CC(=O)CCCOC1CC1 590bef78d96b3b4478190aec6f290839 [1,0,0,1,0,0|2,0,0]=4 4572 B10R1.126 NC(=O)CCCNC1CC1 0a9b71f54bfc3f675a16d5847e3c5203 [1,0,0,1,0,0|2,0,0]=4 4573 B10R1.126 NC(=O)CCCOC1CC1 a20915f72580e1e8e3ce2018eef0fbc9 [1,0,0,1,0,0|2,0,0]=4 4574 B10R1.126 O=C(O)CCCNC1CC1 dd468d360b917f47f682ee50a287e9d8 [1,0,0,1,0,0|1,0,0]=3 4575 B10R1.126 O=C(O)CCCOC1CC1 b7be63e0bba517180e4df0722213e005 [1,0,0,1,0,0|1,0,0]=3 4576 B10R1.126 O=C(O)CCNCC1CC1 09210a961eb6bc883a8b63442218357b [1,0,0,1,0,0|1,0,1]=4 4577 B10R1.126 O=C(O)CCOCC1CC1 eafe891a8012d500ee7e15eeb8328f36 [1,0,0,1,0,0|1,0,1]=4 4578 B10R1.126 O=C(O)CNCCC1CC1 61119269f81a6f03295c0747c64c1b37 [1,0,0,1,0,0|1,0,1]=4 4579 B10R1.126 O=C(O)COCCC1CC1 fb38b8ef197ca0863d4f81dc1489f3f0 [1,0,0,1,0,0|1,0,1]=4 4580 B10R1.144 CCCN[C@@H]1C[C@@H]1C(=O)O 8b6065ccda35b6e121bb4d84d7ca2d15 [1,0,0,1,0,0|1,0,0]=3 4581 B10R1.144 CCCN[C@H]1C[C@@H]1C(=O)O bb67236d635930b21a9033bd54b3e699 [1,0,0,1,0,0|1,0,0]=3 4582 B10R1.144 CCCN[C@H]1C[C@H]1C(=O)O 45cf0adca91604d7378db84601dc99ca [1,0,0,1,0,0|1,0,0]=3 4583 B10R1.144 CCCO[C@@H]1C[C@@H]1C(=O)O ef58b5a901157975cfbdf2de9eac2112 [1,0,0,1,0,0|1,0,0]=3 4584 B10R1.144 CCCO[C@H]1C[C@@H]1C(=O)O d8df1b33d4d58c6045aafeb6d556b5f8 [1,0,0,1,0,0|1,0,0]=3 4585 B10R1.144 CCCO[C@H]1C[C@H]1C(=O)O 2172e9900e42913e81a79e12722cb587 [1,0,0,1,0,0|1,0,0]=3 4586 B10R1.144 CCNC[C@@H]1C[C@H]1C(=O)O 1645dfed96f1a35e7d2a7e317b4a85c8 [1,0,0,1,0,0|1,0,1]=4 4587 B10R1.144 CCOCC1CC1C(=O)O f47208bff69eca6292bec5ee4aeb1480 [1,0,0,1,0,0|1,0,1]=4 4588 B10R1.144 CCOC[C@@H]1C[C@H]1C(=O)O 29824500bda68368f83156b674cdb103 [1,0,0,1,0,0|1,0,1]=4 4589 B10R1.144 CCOC[C@H]1C[C@@H]1C(=O)O 236a8aa51e1ac2e3d16cdd4c7a14d1de [1,0,0,1,0,0|1,0,1]=4 4590 B10R1.144 CCOC[C@H]1C[C@H]1C(=O)O 883fcab2883008e1f5b20391ca8afa39 [1,0,0,1,0,0|1,0,1]=4 4591 B10R1.144 COCO[C@@H]1C[C@@H]1C(=O)O d7334245a1ed608e4918e9f26d1921e7 [1,0,0,1,0,0|2,0,0]=4 4592 B10R1.144 COCO[C@H]1C[C@@H]1C(=O)O acca60373f4f8022b94b5101407acb01 [1,0,0,1,0,0|2,0,0]=4 4593 B10R1.144 COCO[C@H]1C[C@H]1C(=O)O be3e72c0e16e4acb5ddcd2e707e9a791 [1,0,0,1,0,0|2,0,0]=4 4594 B10R1.144 O=C(O)[C@@H]1C[C@@H]1NCCBr 5edc7c0d2c036a5e951f5fa0c038a6fe [1,0,0,1,0,0|2,0,0]=4 4595 B10R1.144 O=C(O)[C@@H]1C[C@@H]1NCCF 417a48b1a121fdd0f578256451703a0b [1,0,0,1,0,0|2,0,0]=4 4596 B10R1.144 O=C(O)[C@@H]1C[C@@H]1NCCI d369dc2261be6136bd66474c108390f6 [1,0,0,1,0,0|2,0,0]=4 4597 B10R1.144 O=C(O)[C@@H]1C[C@@H]1NCCO 7a8e3a02265c3aff4138908cc9481abe [1,0,0,1,0,0|2,0,0]=4 4598 B10R1.144 O=C(O)[C@@H]1C[C@@H]1NCCS 02c393c8f1cbb6ed203e80847146681a [1,0,0,1,0,0|2,0,0]=4 4599 B10R1.144 O=C(O)[C@@H]1C[C@@H]1OCCF b4e6457b0e1fbc29135dd41774f5ea18 [1,0,0,1,0,0|2,0,0]=4 4600 B10R1.144 O=C(O)[C@@H]1C[C@@H]1OCCS 70848310f1646844a01535bafec04114 [1,0,0,1,0,0|2,0,0]=4 4601 B10R1.144 O=C(O)[C@H]1C[C@@H]1NCCBr 03082419d9c842a214f2634ce0135a0a [1,0,0,1,0,0|2,0,0]=4 4602 B10R1.144 O=C(O)[C@H]1C[C@@H]1NCCF 2f2a8cd30867dc7a1ef3b2e1bd5b5a4f [1,0,0,1,0,0|2,0,0]=4 4603 B10R1.144 O=C(O)[C@H]1C[C@@H]1NCCI 93577a5a216655fde6fddc49a8710db2 [1,0,0,1,0,0|2,0,0]=4 4604 B10R1.144 O=C(O)[C@H]1C[C@@H]1NCCO b8bd649e6e460995a8fec562321e9ce2 [1,0,0,1,0,0|2,0,0]=4 4605 B10R1.144 O=C(O)[C@H]1C[C@@H]1NCCS df40da07103a8da072f566ae864cd520 [1,0,0,1,0,0|2,0,0]=4 4606 B10R1.144 O=C(O)[C@H]1C[C@@H]1OCCF 4548a288b07b0cab33493a5234916fbb [1,0,0,1,0,0|2,0,0]=4 4607 B10R1.144 O=C(O)[C@H]1C[C@@H]1OCCS 8018f3db92eef002f38c6d3fa34c34b9 [1,0,0,1,0,0|2,0,0]=4 4608 B10R1.144 O=C(O)[C@H]1C[C@H]1NCCBr a64b935b22d715fa6c814958f6cc58a6 [1,0,0,1,0,0|2,0,0]=4 4609 B10R1.144 O=C(O)[C@H]1C[C@H]1NCCF 9c22c3f76d73902ff8debb99b8508c0c [1,0,0,1,0,0|2,0,0]=4 4610 B10R1.144 O=C(O)[C@H]1C[C@H]1NCCI 53fe564946a853d09e1c274befd18613 [1,0,0,1,0,0|2,0,0]=4 4611 B10R1.144 O=C(O)[C@H]1C[C@H]1NCCO 0e7fe26b277acc1b9427b0d3820114b1 [1,0,0,1,0,0|2,0,0]=4 4612 B10R1.144 O=C(O)[C@H]1C[C@H]1NCCS 3355d7dc1cb641115278d000d2774f58 [1,0,0,1,0,0|2,0,0]=4 4613 B10R1.144 O=C(O)[C@H]1C[C@H]1OCCF ff3b2abde015831a09df10091c5f8627 [1,0,0,1,0,0|2,0,0]=4 4614 B10R1.144 O=C(O)[C@H]1C[C@H]1OCCS a8a1aa559a5d991e9e372be1fbe6d106 [1,0,0,1,0,0|2,0,0]=4 4615 B10R1.173 CCC1CCN1CC(=O)O 5837e591b7e88e7d687f320a675ea6ac [1,0,0,1,0,0|1,0,1]=4 4616 B10R1.173 CCN1CCC1CC(=O)O b55343875421912ce9629f1d4c69a858 [1,0,0,1,0,0|1,0,1]=4 4617 B10R1.29 C=CCOC1CCCC1=O 5ff875b2b7a0ee8c8572dd815a4d957f [1,0,0,1,0,0|2,0,0]=4 4618 B10R1.29 O=C1CCCC1NCCO c0c0b931d9c69710892d72abef2c7869 [1,0,0,1,0,0|1,0,1]=4 4619 B10R1.29 O=CCNC1CCNC1=O 3ffd0a7e29caa0683ee17f097bb822ec [1,0,0,1,0,0|2,0,0]=4 4620 B10R1.29 O=CCNC1CCSC1=O c1eb9f1ccf76f6f1773d366c936e8636 [1,0,0,1,0,0|2,0,0]=4 4621 B10R1.29 O=CCN[C@@H]1CCNC1=O c94d55756b2f33336906a62c92fb8c74 [1,0,0,1,0,0|2,0,0]=4 4622 B10R1.29 O=CCN[C@@H]1CCOC1=O 3ea0be769ccf09041e68aa2c49374e81 [1,0,0,1,0,0|2,0,0]=4 4623 B10R1.29 O=CCN[C@H]1CCNC1=O a9070c919bd45960910927a05fa14781 [1,0,0,1,0,0|2,0,0]=4 4624 B10R1.29 O=CCN[C@H]1CCOC1=O 4653d81af95cdef835b16804b3513bf1 [1,0,0,1,0,0|2,0,0]=4 4625 B10R1.29 O=CCOC1CCCC1=O 4eff49ffc86550920140ccf5b8449986 [1,0,0,1,0,0|1,0,0]=3 4626 B10R1.29 O=CCOC1CCNC1=O 994e12e01d24a97ce9a230b32736768b [1,0,0,1,0,0|2,0,0]=4 4627 B10R1.29 O=CCOC1CCOC1=O 1a8d096af9696aefb7bb484affc7db87 [1,0,0,1,0,0|2,0,0]=4 4628 B10R1.29 O=CCO[C@@H]1CCNC1=O e215bad9dcf2bd903fea5232a118d2fc [1,0,0,1,0,0|2,0,0]=4 4629 B10R1.29 O=CCO[C@@H]1CCOC1=O 7a495fc2ea04aaa922a2cdcf1f99832c [1,0,0,1,0,0|2,0,0]=4 4630 B10R1.29 O=CCO[C@H]1CCNC1=O 4c77dd4377e2411874ef7166ea2a4439 [1,0,0,1,0,0|2,0,0]=4 4631 B10R1.29 O=CCO[C@H]1CCOC1=O 5c6284ff7864968e59bf09b456df5b11 [1,0,0,1,0,0|2,0,0]=4 4632 B10R1.29 O=CNCC1CCNC1=O 3d8f4f33b72c75f69e5be126ab9ecea5 [1,0,0,1,0,0|2,0,0]=4 4633 B10R1.135 CCCN(C)C1CC1C=O fbc0d0e23b107d11540ce3b640cbd642 [1,0,0,1,0,0|2,0,0]=4 4634 B10R1.186 C=CCOCC(=O)C1CC1 d26dbc06f09a87cf107823b6862bf300 [1,0,0,1,0,0|2,0,0]=4 4635 B10R1.186 CN(CCCC=O)C1CC1 cf16742fd6ffafa4755828cf25464ed9 [1,0,0,1,0,0|2,0,0]=4 4636 B10R1.186 O=C(CNCCO)C1CC1 4706609f0ede4cf476847ff112e0a069 [1,0,0,1,0,0|1,0,1]=4 4637 B10R1.186 O=CCOCC(=O)C1CC1 31460e1a5a04675db8716fe76a834889 [1,0,0,1,0,0|1,0,0]=3 4638 B10R1.93 CCCN1CC(C1)C(=O)O 2e0f44757ecc5178985bfbb9789f5f23 [0,0,0,1,1,0|2,0,0]=4 4639 B10R1.113 CC(=O)N1CCCC(=O)C1 99ed04f0f8f0c457aeb4f4aaf4f20d81 [0,0,0,1,1,0|2,0,0]=4 4640 B10R1.211 CN(CCC(=O)O)C1CC1 6f6a07b09a277bf465e4a97359072b32 [0,0,0,1,1,0|2,0,0]=4 4641 B12R1.17 CCCC(=O)N1CCCC(=O)C1 208ecafa0106eadf313d174949bd8fe0 [0,0,0,1,0,1|1,0,0]=3 4642 B12R1.17 CCCC(=O)N1CCCC(C1)O 315e67c3dcc4f80dd0f05c64b6352338 [0,0,0,1,0,1|1,0,1]=4 4643 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)O 7e806b85c2d858e0aa2c84ab43f00763 [0,0,0,1,0,1|1,0,1]=4 4644 B12R1.17 CCCC(=O)N1CCC[C@H](C1)O f8eb4b584f3427619393c163031b1cf8 [0,0,0,1,0,1|1,0,1]=4 4645 B12R1.17 CCCC(=O)N1CCNC(=O)C1 89f98d840fd0d94c85a9e16197758bc8 [0,0,0,1,0,1|2,0,0]=4 4646 B12R1.17 CCCC(=O)N1CCOC(=O)C1 6ad9a6111c7c20d95c458d2ef0125f13 [0,0,0,1,0,1|2,0,0]=4 4647 B12R1.17 COCC(=O)N1CCCC(=O)C1 9b8c1e436e6985b64305fde5609d7c25 [0,0,0,1,0,1|2,0,0]=4 4648 B12R1.17 CSCC(=O)N1CCCC(=O)C1 ddb73488a78da9bb782c44d80a9a286d [0,0,0,1,0,1|2,0,0]=4 4649 B12R1.17 O=C1CCCN(C1)C(=O)CCF 7b59069ccfc67d7e342ed6ff6294333e [0,0,0,1,0,1|2,0,0]=4 4650 B12R1.17 O=C1CCCN(C1)C(=O)CCO c9dc3ed6f3c917cc1babca90e564606b [0,0,0,1,0,1|2,0,0]=4 4651 B12R1.17 O=C1CCCN(C1)C(=O)CCS b6e6b8a6f08eeb1e1ca2390ad6a78636 [0,0,0,1,0,1|2,0,0]=4 4652 B12R1.31 CCCC(=O)CN1CCC(C1)O 0680d8eb1d02aeb3676cdcbd3735eb90 [0,0,0,1,0,1|1,0,1]=4 4653 B12R1.31 CCCC(=O)CN1CC[C@@H](C1)O 4822ece2fe3e1d1376c0bbf2489c525a [0,0,0,1,0,1|1,0,1]=4 4654 B12R1.31 CCCC(=O)CN1CC[C@H](C1)O 0851209af277feb8e153ec07721a867f [0,0,0,1,0,1|1,0,1]=4 4655 B12R1.31 CCCC(=O)CN1CNC(=O)C1 0a16f2562adf41803fd20d679f2643db [0,0,0,1,0,1|2,0,0]=4 4656 B12R1.31 CCCC(=O)NC1CCC(C1)O fb0614719f38074bca513561a0aed976 [0,0,0,1,0,1|1,0,1]=4 4657 B12R1.31 CCCC(=O)NC1CNC(=O)C1 12ac108342a4def1b4ff39b663edc6be [0,0,0,1,0,1|2,0,0]=4 4658 B12R1.31 CCCC(=O)N[C@@H]1CC[C@@H](C1)O 5e9f7c138388e1b473c14caac0cdbc54 [0,0,0,1,0,1|1,0,1]=4 4659 B12R1.31 CCCC(=O)N[C@@H]1CC[C@H](C1)O 474d6c6a977a902f14e6f7f80a8e132b [0,0,0,1,0,1|1,0,1]=4 4660 B12R1.31 CCCC(=O)N[C@@H]1CNC(=O)C1 03c6be59ce5e91cdc9c6929db6266592 [0,0,0,1,0,1|2,0,0]=4 4661 B12R1.31 CCCC(=O)N[C@H]1CC[C@@H](C1)O 05a28e9d75aa04ea5adcaaaa059ba9eb [0,0,0,1,0,1|1,0,1]=4 4662 B12R1.31 CCCC(=O)N[C@H]1CC[C@H](C1)O efa6fa74c15c1168c1fdda0ee9257c19 [0,0,0,1,0,1|1,0,1]=4 4663 B12R1.31 CCCC(=O)N[C@H]1CNC(=O)C1 91f919876485831f2c9a196a6b106c89 [0,0,0,1,0,1|2,0,0]=4 4664 B12R1.31 CCCN(C)CC1CCC(=O)O1 5d2950e841a04bbd1ce12df57c0937e4 [0,0,0,1,0,1|2,0,0]=4 4665 B12R1.87 CCC1C(=O)NCCN1C(=O)C 755cb7aac4098495b5e7594c7ef9d3a0 [0,0,0,1,0,1|2,0,0]=4 4666 B12R1.130 C=C(Br)CCOC1CCCC1=O 37a296edc273eb144b7efd88f5907b1f [0,0,0,1,0,1|2,0,0]=4 4667 B12R1.130 C=C(Br)COCC1CCCC1=O c5cb621bc797e9b27adf84ded66b3815 [0,0,0,1,0,1|2,0,0]=4 4668 B12R1.130 C=C(C)CCOC1CCCC1=O e253b16e352f920ba8fed5458cac9902 [0,0,0,1,0,1|2,0,0]=4 4669 B12R1.130 C=C(C)COCC1CCCC1=O e8a245e55449d7c319330824c129d583 [0,0,0,1,0,1|2,0,0]=4 4670 B12R1.130 C=C(Cl)COCC1CCCC1=O 36207d5462551f3038040029e2ee8995 [0,0,0,1,0,1|2,0,0]=4 4671 B12R1.130 C=C(F)COCC1CCCC1=O 58d07533902a6e22ea04438c8387fc51 [0,0,0,1,0,1|2,0,0]=4 4672 B12R1.130 CC(=O)CCNC1CCNC1=O b1f54979b287dee2dffa3dc2b69fb473 [0,0,0,1,0,1|2,0,0]=4 4673 B12R1.130 CC(=O)CCNC1CCSC1=O 01a899a819a45ef82bd8ee257127a903 [0,0,0,1,0,1|2,0,0]=4 4674 B12R1.130 CC(=O)CCN[C@@H]1CCNC1=O ff80c086c87392fa4c071e86dd9e1fbe [0,0,0,1,0,1|2,0,0]=4 4675 B12R1.130 CC(=O)CCN[C@@H]1CCOC1=O 3a307323823f113972d4970197302e80 [0,0,0,1,0,1|2,0,0]=4 4676 B12R1.130 CC(=O)CCN[C@H]1CCNC1=O 4ebf44d9792359c1eb94f8c39841b53a [0,0,0,1,0,1|2,0,0]=4 4677 B12R1.130 CC(=O)CCN[C@H]1CCOC1=O aa08ce60df0eb44dc9b410862620221b [0,0,0,1,0,1|2,0,0]=4 4678 B12R1.130 CC(=O)CCOC1CCCC1=O 2e7bd6e0d76e424877ed4b699dbab07f [0,0,0,1,0,1|1,0,0]=3 4679 B12R1.130 CC(=O)CCOC1CCNC1=O f8991b0b5b57391dc28e4a4a2e9a7a5b [0,0,0,1,0,1|2,0,0]=4 4680 B12R1.130 CC(=O)CCOC1CCOC1=O 651c5dfd80703f409d2879b4293248de [0,0,0,1,0,1|2,0,0]=4 4681 B12R1.130 CC(=O)CCO[C@@H]1CCNC1=O badb87c1f04541002c0c2d4813d20b5f [0,0,0,1,0,1|2,0,0]=4 4682 B12R1.130 CC(=O)CCO[C@@H]1CCOC1=O cd1e909c590c404553eb1f3b152d50f1 [0,0,0,1,0,1|2,0,0]=4 4683 B12R1.130 CC(=O)CCO[C@H]1CCNC1=O 256e2a5dce27138c55bdb65d86d2e507 [0,0,0,1,0,1|2,0,0]=4 4684 B12R1.130 CC(=O)CCO[C@H]1CCOC1=O bda466da54797a1f36465cb3720bbac3 [0,0,0,1,0,1|2,0,0]=4 4685 B12R1.130 CC(=O)CNCN1CCCC1=O 9638ae16a1c222243f4ad8e64fbf20e6 [0,0,0,1,0,1|2,0,0]=4 4686 B12R1.130 CC(=O)COCN1CCCC1=O 897f2a82fd183f2e6a859ec25d7dc18b [0,0,0,1,0,1|2,0,0]=4 4687 B12R1.130 CC(=O)NCCN1CCCC1=O 9ddf2861dde324a787a1d65093f2ce7f [0,0,0,1,0,1|2,0,0]=4 4688 B12R1.130 CC(=O)NCOC1CCCC1=O 15727a1543013b7ce6fda475a6931c67 [0,0,0,1,0,1|2,0,0]=4 4689 B12R1.130 CC(=O)OCOC1CCCC1=O b4e27fb9446d9c71a48f647607a9030e [0,0,0,1,0,1|2,0,0]=4 4690 B12R1.130 CC1CCCC1COCC(=O)O 5d747dc77f69b0ec1ca2e97827cb59a5 [0,0,0,1,0,1|1,0,1]=4 4691 B12R1.130 CC1CCCC1OCCC(=O)O 56a676c9348d4a291a6176d63e2ef24f [0,0,0,1,0,1|1,0,1]=4 4692 B12R1.130 CC1CCCN1CCCC(=O)O 4ab47bf7f7a600f154632a8b1ae321e6 [0,0,0,1,0,1|1,0,1]=4 4693 B12R1.130 CN1CCCC1CNCC(=O)O 0f1c7a8f66738fe9021c4a9ecfdb8910 [0,0,0,1,0,1|2,0,0]=4 4694 B12R1.130 CN1CCCC1COCC(=O)O de5a50331a98705af9eec2e7299579f3 [0,0,0,1,0,1|2,0,0]=4 4695 B12R1.130 CN1CCC[C@@H]1CNCC(=O)O a8a7f05ab7636eab5233e9706b897bda [0,0,0,1,0,1|2,0,0]=4 4696 B12R1.130 CN1CCC[C@@H]1COCC(=O)O 41fd151b9e73f6894f3921889e44f85b [0,0,0,1,0,1|2,0,0]=4 4697 B12R1.130 CN1CCC[C@H]1CNCC(=O)O 484548520fafea91397f311e1c116145 [0,0,0,1,0,1|2,0,0]=4 4698 B12R1.130 CN1CCC[C@H]1COCC(=O)O e2071f422b14d6b34602341e5209ed92 [0,0,0,1,0,1|2,0,0]=4 4699 B12R1.130 CS(=O)CCNC1CCCC1=O efaee35f3bc0b4fdf96e3145d4257164 [0,0,0,1,0,1|2,0,0]=4 4700 B12R1.130 CS(=O)CCOC1CCCC1=O 7cd75cba36604253d23bfee778bd4c7a [0,0,0,1,0,1|2,0,0]=4 4701 B12R1.130 C[C@@H]1CCCN1CCCC(=O)O 668734cdbcb71bf415fa2c681e572718 [0,0,0,1,0,1|1,0,1]=4 4702 B12R1.130 C[C@@H]1CCC[C@@H]1OCCC(=O)O 5a5ecffa7effcc121266ff800207ec13 [0,0,0,1,0,1|1,0,1]=4 4703 B12R1.130 C[C@@H]1CCC[C@H]1OCCC(=O)O 08fc9aac06b6f43e522f643cf1b1b1f3 [0,0,0,1,0,1|1,0,1]=4 4704 B12R1.130 C[C@H]1CCCN1CCCC(=O)O 6d13ef1e639c38c80ed29a186c3fc3ae [0,0,0,1,0,1|1,0,1]=4 4705 B12R1.130 C[C@H]1CCC[C@@H]1OCCC(=O)O 3a7b18a9f03c4de5bec7c30bf0be3457 [0,0,0,1,0,1|1,0,1]=4 4706 B12R1.130 C[C@H]1CCC[C@H]1OCCC(=O)O 92b80d798b8af41bd97490339c211682 [0,0,0,1,0,1|1,0,1]=4 4707 B12R1.130 NC(=O)CCNC1CCCC1=O 327564dbc795ca76fa50c24066b41aec [0,0,0,1,0,1|1,0,0]=3 4708 B12R1.130 NC(=O)CCNC1CCNC1=O 219fec7d5e8a9f80f11ba453b1850568 [0,0,0,1,0,1|2,0,0]=4 4709 B12R1.130 NC(=O)CCNC1CCSC1=O 8631c342915e255f4e6f818455160fcf [0,0,0,1,0,1|2,0,0]=4 4710 B12R1.130 NC(=O)CCN[C@@H]1CCNC1=O 26f3acd1121bf7d112bde7f5db133a59 [0,0,0,1,0,1|2,0,0]=4 4711 B12R1.130 NC(=O)CCN[C@@H]1CCOC1=O cec82a8f58854acc80c117cb5f465148 [0,0,0,1,0,1|2,0,0]=4 4712 B12R1.130 NC(=O)CCN[C@H]1CCNC1=O 586635d27c1c1388cdc8103ce17953b4 [0,0,0,1,0,1|2,0,0]=4 4713 B12R1.130 NC(=O)CCN[C@H]1CCOC1=O beb6653afd0419fd49ac3b865fc73bff [0,0,0,1,0,1|2,0,0]=4 4714 B12R1.130 NC(=O)CCOC1CCCC1=O e0f2c300443304b0a3f8956cd5c8ba9e [0,0,0,1,0,1|1,0,0]=3 4715 B12R1.130 NC(=O)CCOC1CCNC1=O 3f37b9a0544a9321c1482b60bfa48ec2 [0,0,0,1,0,1|2,0,0]=4 4716 B12R1.130 NC(=O)CCOC1CCOC1=O f3b36f752863f0ca69796f0421ce01f0 [0,0,0,1,0,1|2,0,0]=4 4717 B12R1.130 NC(=O)CCO[C@@H]1CCNC1=O c660aee69b1841837b67b7f26ce49188 [0,0,0,1,0,1|2,0,0]=4 4718 B12R1.130 NC(=O)CCO[C@@H]1CCOC1=O d21eac9c33eb48f47cb6da39550e5607 [0,0,0,1,0,1|2,0,0]=4 4719 B12R1.130 NC(=O)CCO[C@H]1CCNC1=O 7ee7f58968b178ac18a8fc13bf2b4837 [0,0,0,1,0,1|2,0,0]=4 4720 B12R1.130 NC(=O)CCO[C@H]1CCOC1=O 707b0edbbe5a1ece136affe550b5adf3 [0,0,0,1,0,1|2,0,0]=4 4721 B12R1.130 NC(=O)CNCC1CCNC1=O b1ea817cdbe99abc3e2dcd8f696d5a5c [0,0,0,1,0,1|2,0,0]=4 4722 B12R1.130 NC(=O)CNCN1CCCC1=O 9b33ae24657ad5c98924f2fa12a3f186 [0,0,0,1,0,1|2,0,0]=4 4723 B12R1.130 NC(=O)COCC1CCCC1=O de1d69de25551c10ebca5298feb02ea6 [0,0,0,1,0,1|1,0,0]=3 4724 B12R1.130 NC(=O)COCC1CCNC1=O ef37d47c7031d4f3171116e2305a3e63 [0,0,0,1,0,1|2,0,0]=4 4725 B12R1.130 NC(=O)COCN1CCCC1=O 7c2b9a52b6e8ff47a9151c9cc5d2f0ea [0,0,0,1,0,1|2,0,0]=4 4726 B12R1.130 NC(=O)SCOC1CCCC1=O 42dfafd087f21cf9700af203f5da74f7 [0,0,0,1,0,1|2,0,0]=4 4727 B12R1.130 O=C(O)CCCN1CCCC1O efa97648a71c6c6802fdbae1e4a2e38b [0,0,0,1,0,1|0,0,2]=4 4728 B12R1.130 O=C(O)CCNC1CCCC1O e93c1f250cfd177c800a3fb006fce076 [0,0,0,1,0,1|0,0,2]=4 4729 B12R1.130 O=C(O)CCNC1CCNC1=O 0ca6b6c65bf9d5cba431495df665ff00 [0,0,0,1,0,1|1,0,0]=3 4730 B12R1.130 O=C(O)CCNC1CCSC1=O b85112a7653d8e4c076db93ee27e57d7 [0,0,0,1,0,1|1,0,0]=3 4731 B12R1.130 O=C(O)CCNC1CONC1=O 66ea1a218a44fb9fbef5f92ae813c338 [0,0,0,1,0,1|2,0,0]=4 4732 B12R1.130 O=C(O)CCN[C@@H]1CCC[C@@H]1O 7e223b46e95b73c1b562fed7eff28c68 [0,0,0,1,0,1|0,0,2]=4 4733 B12R1.130 O=C(O)CCN[C@@H]1CCC[C@H]1O 89a1011a7c6dbcfd8915d969e92cc18f [0,0,0,1,0,1|0,0,2]=4 4734 B12R1.130 O=C(O)CCN[C@@H]1CCNC1=O 7105fe2f4a781d3cab2923178b27e33f [0,0,0,1,0,1|1,0,0]=3 4735 B12R1.130 O=C(O)CCN[C@@H]1CCOC1=O 1f8bddd620ae69ff3d4d2851a5972572 [0,0,0,1,0,1|1,0,0]=3 4736 B12R1.130 O=C(O)CCN[C@@H]1CONC1=O 403b856913348d6925eed8286e2c87e2 [0,0,0,1,0,1|2,0,0]=4 4737 B12R1.130 O=C(O)CCN[C@H]1CCC[C@@H]1O b692a1f0b2a95e76e5134fad8dbc7c0b [0,0,0,1,0,1|0,0,2]=4 4738 B12R1.130 O=C(O)CCN[C@H]1CCC[C@H]1O 2ba7bfa80c6acdfa1706fb94b98a809c [0,0,0,1,0,1|0,0,2]=4 4739 B12R1.130 O=C(O)CCN[C@H]1CCNC1=O 8768d0fe1a308862b51e0ea59b3391ac [0,0,0,1,0,1|1,0,0]=3 4740 B12R1.130 O=C(O)CCN[C@H]1CCOC1=O be6b42835ca51d00cb930f09b0af1cc7 [0,0,0,1,0,1|1,0,0]=3 4741 B12R1.130 O=C(O)CCN[C@H]1CONC1=O 9e6e85946eecc3c44f0f786783a2b7af [0,0,0,1,0,1|2,0,0]=4 4742 B12R1.130 O=C(O)CCOC1CCCC1=O c8d4b07715e21387ad5a05cac6387141 [0,0,0,1,0,1|0,0,0]=2 4743 B12R1.130 O=C(O)CCOC1CCNC1=O b25f88eb67fba2ab738150d1b4064e1a [0,0,0,1,0,1|1,0,0]=3 4744 B12R1.130 O=C(O)CCO[C@@H]1CCC[C@H]1F b18486c23a36952f40b6d548d87dcc5a [0,0,0,1,0,1|1,0,1]=4 4745 B12R1.130 O=C(O)CCO[C@@H]1CCNC1=O d72fd3ddc93746adb61d1e8b07b32047 [0,0,0,1,0,1|1,0,0]=3 4746 B12R1.130 O=C(O)CCO[C@H]1CCNC1=O 7bffb516bcfc9aa24b31c3ebb8d10fee [0,0,0,1,0,1|1,0,0]=3 4747 B12R1.130 O=C(O)CNCC1CCCC1O 6a300e5d9c2aa4e7b9f44028f25ce650 [0,0,0,1,0,1|0,0,2]=4 4748 B12R1.130 O=C(O)CNCC1CCNC1=O fff9812d1e19977631b43661b78eefae [0,0,0,1,0,1|1,0,0]=3 4749 B12R1.130 O=C(O)CNCN1CCCC1=O 7e1ec5d6425f6e5f6d24683e86fc0c08 [0,0,0,1,0,1|1,0,0]=3 4750 B12R1.130 O=C(O)COCC1=CCCC1=O f7e2225ae9c863899d39b38e144d58ae [0,0,0,1,0,1|0,0,2]=4 4751 B12R1.130 O=C(O)COCC1CCCC1=O ec6faa7d2ef72c54777a4ec8ba3ae260 [0,0,0,1,0,1|0,0,0]=2 4752 B12R1.130 O=C(O)COCC1CCNC1=O bf5e388884c771901cddb9b8be5b284a [0,0,0,1,0,1|1,0,0]=3 4753 B12R1.130 O=C(O)COCN1CCCC1=O 3d782b0ee2b454443ed22ec77bd2041b [0,0,0,1,0,1|1,0,0]=3 4754 B12R1.130 O=C(O)COC[C@@H]1CCC[C@H]1F 44437794a3a7c611d1cb1c09e50bda50 [0,0,0,1,0,1|1,0,1]=4 4755 B12R1.130 O=C1CCCC1COC[N+](=O)[O-] 9e92a291a894c4a304cca81f09e68268 [0,0,0,1,0,1|1,0,1]=4 4756 B12R1.130 O=C1CCCC1OCC[N+](=O)[O-] 3d3a843dc90949969bdfffda319a4a29 [0,0,0,1,0,1|1,0,1]=4 4757 B12R1.130 O=C1CCCN1COCS(=O)O 299d6926c12133fa66aaa72757687187 [0,0,0,1,0,1|2,0,0]=4 4758 B12R1.175 CCCC1CN(C1)CCC(=O)O 43435ac50bbfc7716a49ec4bc8e946b1 [0,0,0,1,0,1|1,0,1]=4 4759 B12R1.175 CCCN1CC(C1)OCC(=O)O 5d8d29b4995b34a2945c94137b2e44a1 [0,0,0,1,0,1|2,0,0]=4 4760 B12R1.182 CCCC1CCN(C1)CC(=O)O b3223d50a46fdb8f941267aacdfd07ec [0,0,0,1,0,1|1,0,1]=4 4761 B12R1.182 CCCN1CCC(C1)CC(=O)O c05849b5b9a60dabbb5ea41045b140ca [0,0,0,1,0,1|2,0,0]=4 4762 B12R1.182 CCCN1CC[C@@H](C1)CC(=O)O 4eae89dd0897878dd0b639861aa68aef [0,0,0,1,0,1|2,0,0]=4 4763 B12R1.182 CCCN1CC[C@H](C1)CC(=O)O e53f343a3d080dc7cd96a98adee47284 [0,0,0,1,0,1|2,0,0]=4 4764 B12R1.220 CC1CC(C1)CNCCC(=O)O f4a8a64286ef37bce2da69c5e09cd135 [0,0,0,1,0,1|1,0,1]=4 4765 B12R1.220 CC1CC(C1)COCCC(=O)O d2b8bfb42285820244848584a3f83d0e [0,0,0,1,0,1|1,0,1]=4 4766 B12R1.220 CC1CC(C1)OCCCC(=O)O 91e21f3adbaef8f7d2f2591643918da9 [0,0,0,1,0,1|1,0,1]=4 4767 B12R1.220 C[C@H]1C[C@@H](C1)COCCC(=O)O 637d6377bb86a4cab1576da34cadb54a [0,0,0,1,0,1|1,0,1]=4 4768 B12R1.226 C=C(Br)COC1CCCC(=O)C1 d5036203d29bb04b5555189ce085764a [0,0,0,1,0,1|2,0,0]=4 4769 B12R1.226 C=C(C)CCN1CCCC(=O)C1 003b6f7ede85db27882f68eec75d7110 [0,0,0,1,0,1|2,0,0]=4 4770 B12R1.226 C=C(C)CNC1CCCC(=O)C1 35b7a2c6304d99be384b3739866c0789 [0,0,0,1,0,1|2,0,0]=4 4771 B12R1.226 C=C(C)COC1CCCC(=O)C1 22e1775dcd44978cc225391b91e334b0 [0,0,0,1,0,1|2,0,0]=4 4772 B12R1.226 C=C(Cl)COC1CCCC(=O)C1 31933f72b75acfbce8804c410f1faf14 [0,0,0,1,0,1|2,0,0]=4 4773 B12R1.226 C=C(F)COC1CCCC(=O)C1 e073a056847ac31c53f0b92a3e8e7ea9 [0,0,0,1,0,1|2,0,0]=4 4774 B12R1.226 CC(=O)CCN1CCCC(=O)C1 2c64616513d40578014fcef47d8f51fe [0,0,0,1,0,1|1,0,0]=3 4775 B12R1.226 CC(=O)CCN1CCNC(=O)C1 e7164d74e793a159b2254949fd1e4f84 [0,0,0,1,0,1|2,0,0]=4 4776 B12R1.226 CC(=O)CCN1CCOC(=O)C1 d2f350942671e879c17b42799e9365e6 [0,0,0,1,0,1|2,0,0]=4 4777 B12R1.226 CC(=O)CNC1CCCC(=O)C1 c54a0be17d2d118681e8798bb01651b2 [0,0,0,1,0,1|1,0,0]=3 4778 B12R1.226 CC(=O)COC1CCCC(=O)C1 f091092046b027bb08f66635c3aee824 [0,0,0,1,0,1|1,0,0]=3 4779 B12R1.226 CC(=O)NCC1CCCC(=O)N1 53c28ed3a82a4f74057bdd44be43b7c3 [0,0,0,1,0,1|2,0,0]=4 4780 B12R1.226 CC(=O)NCC1CCNC(=O)C1 ef86c80ae1d80258b77fb06799dd2bbe [0,0,0,1,0,1|2,0,0]=4 4781 B12R1.226 CC(=O)OCN1CCCC(=O)C1 bdbfd3290e1369f24cb5a9a2e00bc34b [0,0,0,1,0,1|2,0,0]=4 4782 B12R1.226 CC(O)CCN1CCCC(=O)C1 8105f0c5fac9fcbfb9b4f75863e4cf6b [0,0,0,1,0,1|1,0,1]=4 4783 B12R1.226 CC(O)CNC1CCCC(=O)C1 0f7085393e2563cee3541728d027a532 [0,0,0,1,0,1|1,0,1]=4 4784 B12R1.226 CC1=CC(CCC1)OCC(=O)O 59f18cd12a53002b2ab216cb7545f523 [0,0,0,1,0,1|1,0,1]=4 4785 B12R1.226 CC1CCCC(C1)NCC(=O)O 1c792ba7b7de65e56a686fd6f4c2b1ec [0,0,0,1,0,1|1,0,1]=4 4786 B12R1.226 CC1CCCC(C1)OCC(=O)O 6bf3f1d84632a42767dccabf803748c4 [0,0,0,1,0,1|1,0,1]=4 4787 B12R1.226 CC1CCCN(C1)CCC(=O)O 84170281fe6dfd3a64b31c1dd8d25d8d [0,0,0,1,0,1|1,0,1]=4 4788 B12R1.226 CN1CCCC(C1)NCC(=O)O 74b2d1c0c82d319b740129f6d202e6ae [0,0,0,1,0,1|2,0,0]=4 4789 B12R1.226 CN1CCCC(C1)OCC(=O)O 5feda3f1aed8e0beb8efaf7eea69da87 [0,0,0,1,0,1|2,0,0]=4 4790 B12R1.226 CN1CCC[C@@H](C1)NCC(=O)O e26c2a73dfbd390d91009486410f10f2 [0,0,0,1,0,1|2,0,0]=4 4791 B12R1.226 CN1CCC[C@@H](C1)OCC(=O)O a849529d85ebb913b31c8cd6b66dc970 [0,0,0,1,0,1|2,0,0]=4 4792 B12R1.226 CN1CCC[C@H](C1)NCC(=O)O 24ccb7fea7d142c222e9d6befa86daea [0,0,0,1,0,1|2,0,0]=4 4793 B12R1.226 CN1CCC[C@H](C1)OCC(=O)O 2ade793ba636946761936dbfd3b9851b [0,0,0,1,0,1|2,0,0]=4 4794 B12R1.226 CS(=O)CCN1CCCC(=O)C1 5c2390a784d26985718bdcd5ea621077 [0,0,0,1,0,1|2,0,0]=4 4795 B12R1.226 C[C@@H](O)CNC1CCCC(=O)C1 6216f22f5bb7760e6d94729726e2b8fd [0,0,0,1,0,1|1,0,1]=4 4796 B12R1.226 C[C@@H]1CCCN(C1)CCC(=O)O 2cf813f197928554ea8658b33a54fd10 [0,0,0,1,0,1|1,0,1]=4 4797 B12R1.226 C[C@@H]1CCC[C@@H](C1)OCC(=O)O e50159207824798aa7de9d8e14d80a2c [0,0,0,1,0,1|1,0,1]=4 4798 B12R1.226 C[C@@H]1CCC[C@H](C1)NCC(=O)O 88e31dbe9e217985796eda70d6d4a4ad [0,0,0,1,0,1|1,0,1]=4 4799 B12R1.226 C[C@H](O)CNC1CCCC(=O)C1 8f87c196c4710af1c495c93202cc4b48 [0,0,0,1,0,1|1,0,1]=4 4800 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)O 49ca93985ccbc62c209cadeb92664d89 [0,0,0,1,0,1|1,0,1]=4 4801 B12R1.226 C[C@H]1CCC[C@@H](C1)OCC(=O)O 46783fcebbe7bcb0b57452f3b52f8cf0 [0,0,0,1,0,1|1,0,1]=4 4802 B12R1.226 C[C@H]1CCC[C@H](C1)OCC(=O)O ab0f3349d05e189084f16d588b192aaf [0,0,0,1,0,1|1,0,1]=4 4803 B12R1.226 NC(=O)CCN1CCCC(=O)C1 ff7af1360f3bbf32d39b2b6fef37ba9c [0,0,0,1,0,1|1,0,0]=3 4804 B12R1.226 NC(=O)CCN1CCNC(=O)C1 098573e97a321c8c0062229f169ed4d1 [0,0,0,1,0,1|2,0,0]=4 4805 B12R1.226 NC(=O)CCN1CCOC(=O)C1 92299ee9b99a118c782db8d40423bd3c [0,0,0,1,0,1|2,0,0]=4 4806 B12R1.226 NC(=O)CNC1CCNC(=O)C1 91fd8d020a7fea1122e930d51dad1ace [0,0,0,1,0,1|2,0,0]=4 4807 B12R1.226 NC(=O)CN[C@@H]1CCNC(=O)C1 6fe9f4aeb822a8caf920b705dfb4a5ec [0,0,0,1,0,1|2,0,0]=4 4808 B12R1.226 NC(=O)CN[C@H]1CCNC(=O)C1 f2d7fb5a5d0bf18d9db85cbf948d74d9 [0,0,0,1,0,1|2,0,0]=4 4809 B12R1.226 NC(=O)COC1CCCC(=O)C1 f6089152ff12b4829cc51bd4a943cbb9 [0,0,0,1,0,1|1,0,0]=3 4810 B12R1.226 NC(=O)COC1CCNC(=O)C1 1aa2f17e7e491614c3336014679b353f [0,0,0,1,0,1|2,0,0]=4 4811 B12R1.226 NC(=O)CO[C@@H]1CCNC(=O)C1 58f5aa0919881406edb54de259965b2f [0,0,0,1,0,1|2,0,0]=4 4812 B12R1.226 NC(=O)CO[C@H]1CCNC(=O)C1 2ba17eb052878dde95e3eb9ad706ab18 [0,0,0,1,0,1|2,0,0]=4 4813 B12R1.226 NC(=O)SCN1CCCC(=O)C1 688f3c96b86ef18b5c2c11885b053102 [0,0,0,1,0,1|2,0,0]=4 4814 B12R1.226 O=C(O)CCN1CCCC(=O)C1 bd068fa871f4d3e73d9a3429ac364eb1 [0,0,0,1,0,1|0,0,0]=2 4815 B12R1.226 O=C(O)CCN1CCCC(C1)F 760f752f90571d5fbaa5c39e05b6e52d [0,0,0,1,0,1|1,0,1]=4 4816 B12R1.226 O=C(O)CCN1CCCC(C1)O ffa8ccff0b5a5d2b24fee1b525a5794b [0,0,0,1,0,1|0,0,2]=4 4817 B12R1.226 O=C(O)CCN1CCC[C@@H](C1)F fbe85d718f3f644c773198f547dd583e [0,0,0,1,0,1|1,0,1]=4 4818 B12R1.226 O=C(O)CCN1CCC[C@@H](C1)O 8bd73f850d000b1ffa65ede519061fa0 [0,0,0,1,0,1|0,0,2]=4 4819 B12R1.226 O=C(O)CCN1CCC[C@H](C1)F f566848b2086fbab3b4dd1d8c942eb39 [0,0,0,1,0,1|1,0,1]=4 4820 B12R1.226 O=C(O)CCN1CCC[C@H](C1)O 30b9383ae4420cc9a9ee48ee9e3c119e [0,0,0,1,0,1|0,0,2]=4 4821 B12R1.226 O=C(O)CCN1CCNC(=O)C1 8f9456f06272247739d5985aa1c4b825 [0,0,0,1,0,1|1,0,0]=3 4822 B12R1.226 O=C(O)CCN1CCOC(=O)C1 1ca3a01ef31b74b3ea02917690de0135 [0,0,0,1,0,1|1,0,0]=3 4823 B12R1.226 O=C(O)CNC1CCCC(C1)O 8b68d04e1138b457617ea28ce96c507b [0,0,0,1,0,1|0,0,2]=4 4824 B12R1.226 O=C(O)CNC1CCNC(=O)C1 f06dc1da91480018124b0b1ed9214363 [0,0,0,1,0,1|1,0,0]=3 4825 B12R1.226 O=C(O)CN[C@@H]1CCC[C@@H](C1)O 51c9204532b87fbe79c1a6ca3e56467d [0,0,0,1,0,1|0,0,2]=4 4826 B12R1.226 O=C(O)CN[C@@H]1CCC[C@H](C1)O 1755d0a36b460e0aaa78f304547e4277 [0,0,0,1,0,1|0,0,2]=4 4827 B12R1.226 O=C(O)CN[C@@H]1CCNC(=O)C1 88171bfba16e96d48e9abed6cf93be80 [0,0,0,1,0,1|1,0,0]=3 4828 B12R1.226 O=C(O)CN[C@H]1CCC[C@@H](C1)O 0bca0c31f1b5f60a0e89cf71ef34fad9 [0,0,0,1,0,1|0,0,2]=4 4829 B12R1.226 O=C(O)CN[C@H]1CCC[C@H](C1)O c865372a4279999267d8cb24536d2b5e [0,0,0,1,0,1|0,0,2]=4 4830 B12R1.226 O=C(O)CN[C@H]1CCNC(=O)C1 9c96a1a483f256e2813a07b1c4479721 [0,0,0,1,0,1|1,0,0]=3 4831 B12R1.226 O=C(O)COC1CCCC(=O)C1 e69b0780c375660056f64524976fdd75 [0,0,0,1,0,1|0,0,0]=2 4832 B12R1.226 O=C(O)COC1CCNC(=O)C1 bc116494e30dcae5c53570b62974cf71 [0,0,0,1,0,1|1,0,0]=3 4833 B12R1.226 O=C(O)CO[C@@H]1CCNC(=O)C1 e34c78d39f34012a609501317d77d35e [0,0,0,1,0,1|1,0,0]=3 4834 B12R1.226 O=C(O)CO[C@H]1CCNC(=O)C1 88349ed9a86e523708c4a4248764eeca [0,0,0,1,0,1|1,0,0]=3 4835 B12R1.226 O=C1CCCC(C1)OC[N+](=O)[O-] cc8dc34d975c0005c086494508fd9e75 [0,0,0,1,0,1|1,0,1]=4 4836 B12R1.233 CC1CC(CCN1CC(=O)O)O 47fde904683d81de3bd19f291e66c9e7 [0,0,0,1,0,1|0,0,2]=4 4837 B12R1.233 CC1CCN(C(C1)C)CC(=O)O ce65d6809fdaba3b8b13e6f4a0ab4ccc [0,0,0,1,0,1|1,0,1]=4 4838 B12R1.233 CC1CN(CCN1CC(=O)O)C 244e0742fa96bf53001de1f3b7f34a58 [0,0,0,1,0,1|2,0,0]=4 4839 B12R1.233 C[C@@H]1CCN([C@@H](C1)C)CC(=O)O 4bcc3405ab38213d0aefefcd197d1b3d [0,0,0,1,0,1|1,0,1]=4 4840 B12R1.233 C[C@@H]1CN(CCN1CC(=O)O)C 96ac4a1220c09b4820fa2c4ad4e4c50c [0,0,0,1,0,1|2,0,0]=4 4841 B12R1.233 C[C@@H]1C[C@@H](CCN1CC(=O)O)O 7aa2d14ad7645c218edb72d900673090 [0,0,0,1,0,1|0,0,2]=4 4842 B12R1.233 C[C@@H]1C[C@H](CCN1CC(=O)O)O bb35a32b0548625aaedbfdca598ce547 [0,0,0,1,0,1|0,0,2]=4 4843 B12R1.233 C[C@H]1CCN([C@H](C1)C)CC(=O)O 3217bdec2ec4d46513aa0c9caddbfcb4 [0,0,0,1,0,1|1,0,1]=4 4844 B12R1.233 C[C@H]1CN(CCN1CC(=O)O)C a7e3b62aceefde0389365252199a24f2 [0,0,0,1,0,1|2,0,0]=4 4845 B12R1.255 NC(=O)CCNCC1=CCCC1 c5aa870b8ae54f215429a1b188db3975 [0,0,0,1,0,1|2,0,0]=4 4846 B12R1.255 O=C(O)CCCOC1CCCC1 99bc43476fc63e5fbe03c71111b0689d [0,0,0,1,0,1|1,0,1]=4 4847 B12R1.255 O=C(O)CCNCC1CCCC1 4d18a330c62979fee5f0178a497f80d0 [0,0,0,1,0,1|1,0,1]=4 4848 B12R1.255 O=C(O)CCNCC1CCCO1 b9998d9abf88faeea7e3ae6ecc914431 [0,0,0,1,0,1|0,0,2]=4 4849 B12R1.255 O=C(O)CCNC[C@@H]1CCCO1 b6ce0827552172f342e76dcffc2d9723 [0,0,0,1,0,1|0,0,2]=4 4850 B12R1.255 O=C(O)CCNC[C@H]1CCCO1 928b2bbbf87249324933b741c4e04cf6 [0,0,0,1,0,1|0,0,2]=4 4851 B12R1.255 O=C(O)CCOCC1CCCC1 988b046a92322d1038b6ce57d1132960 [0,0,0,1,0,1|1,0,1]=4 4852 B12R1.255 O=C(O)CCOCC1CCCO1 73195bb71364626a44f8f4661dea6a49 [0,0,0,1,0,1|0,0,2]=4 4853 B12R1.255 O=C(O)CCOCC1CCCS1 0566f33abb66e7b0f97e4ed2e3ead893 [0,0,0,1,0,1|0,1,1]=4 4854 B12R1.255 O=C(O)CCOCN1CCCC1 0a634eecd03eff4ca4dde72e52972339 [0,0,0,1,0,1|2,0,0]=4 4855 B12R1.255 O=C(O)CCOC[C@@H]1CCCO1 aa15fad0dbb6551c3cccee9b93ae1de6 [0,0,0,1,0,1|0,0,2]=4 4856 B12R1.255 O=C(O)CCOC[C@H]1CCCO1 c00099161393e23cdf42127359741950 [0,0,0,1,0,1|0,0,2]=4 4857 B12R1.255 O=C(O)CNCCC1CCCC1 324f85356df7a32eacba93e5a4f8ba31 [0,0,0,1,0,1|1,0,1]=4 4858 B12R1.255 O=C(O)CNCCC1CCCO1 6e1dc9781a17c4bb80e5d50336f8466a [0,0,0,1,0,1|0,0,2]=4 4859 B12R1.255 O=C(O)CNCCN1CCCC1 a01f3e8a4860d2a1870547639b651e17 [0,0,0,1,0,1|2,0,0]=4 4860 B12R1.255 O=C(O)COCC=C1CCCC1 a5817dde28f49e4776f7a7e220844fa3 [0,0,0,1,0,1|1,0,1]=4 4861 B12R1.255 O=C(O)COCCC1CCCC1 fab27bb93cf625b0c938c51342b434ce [0,0,0,1,0,1|1,0,1]=4 4862 B12R1.255 O=C(O)COCCC1CCCO1 babcd2d2d2bba0e6fc9570d258c2c013 [0,0,0,1,0,1|0,0,2]=4 4863 B12R1.255 O=C(O)COCCN1CCCC1 8030904d5b160c673ef0385ae663abee [0,0,0,1,0,1|2,0,0]=4 4864 B12R1.279 CCCN1CCCC(C1)C(=O)O 2fbf10aa751cbb949c2175eabce6cb8b [0,0,0,1,0,1|2,0,0]=4 4865 B12R1.279 CCCN1CCC[C@@H](C1)C(=O)O 05fae443e3cc1c6a2cb1628a656e0863 [0,0,0,1,0,1|2,0,0]=4 4866 B12R1.279 CCCN1CCC[C@H](C1)C(=O)O 1282e3ebb73c5acf199d96dcd9f63fd2 [0,0,0,1,0,1|2,0,0]=4 4867 B12R1.279 CCCN1CCOC(C1)C(=O)O aa51c21198f7a70c582a622b2bd5c076 [0,0,0,1,0,1|2,0,0]=4 4868 B12R1.279 CCCN1CCO[C@@H](C1)C(=O)O 84ceeb5d621827a271bcf19d0b08f5ee [0,0,0,1,0,1|2,0,0]=4 4869 B12R1.279 CCCN1CCO[C@H](C1)C(=O)O 6f2933a59642a2c0a749280ceeba3aa8 [0,0,0,1,0,1|2,0,0]=4 4870 B12R1.279 CCCN1CCSC(C1)C(=O)O 093c6bb0c17323bbf8e12d3f3ea138dc [0,0,0,1,0,1|2,0,0]=4 4871 B12R1.467 CCCC(=O)CNC1CC(C1)O 2bb62a2d0e8b6015b1c2c404771f67b7 [0,0,0,1,0,1|1,0,1]=4 4872 B12R1.467 CCCC(=O)CN[C@H]1C[C@@H](C1)O 0c975abd89be768ba004778127eb9b27 [0,0,0,1,0,1|1,0,1]=4 4873 B12R1.467 CCCC(=O)CN[C@H]1C[C@H](C1)O 50ab3480bd3ba6662a57a2381e376a5e [0,0,0,1,0,1|1,0,1]=4 4874 B12R1.467 CCCC(=O)COC1CC(=O)C1 244d8c960d5a08ff89414088d67cf241 [0,0,0,1,0,1|1,0,0]=3 4875 B12R1.467 CCCC(=O)NCC1CC(C1)O a304cf28195d7ffc5e421874cb0512ea [0,0,0,1,0,1|1,0,1]=4 4876 B12R1.467 CCCC(=O)NC[C@H]1C[C@@H](C1)O e89d4635351c621d140cd70b6459c599 [0,0,0,1,0,1|1,0,1]=4 4877 B12R1.467 CCCC(=O)NC[C@H]1C[C@H](C1)O 2629e1b00e8cdedc0378d95615aa5bfa [0,0,0,1,0,1|1,0,1]=4 4878 B12R1.467 CCCC(=S)OCC1CC(=O)C1 72127777a81e6b4a45e8420dea2d8fab [0,0,0,1,0,1|1,1,0]=4 4879 B12R1.467 CCCC(=S)OCC1CC(=O)N1 4c290e88c3b976c7796f6e4f9870d27b [0,0,0,1,0,1|1,1,0]=4 4880 B12R1.467 CCCC(=S)OCC1CC(=O)O1 ea0509dcda5d691b9a40e22cb60e4f12 [0,0,0,1,0,1|0,1,0]=3 4881 B12R1.467 CCCC(C)NCC1CC(=O)O1 e74be7474c62720c0db2b07b769f7d86 [0,0,0,1,0,1|1,0,1]=4 4882 B12R1.467 CCCC(C)OCC1CC(=O)O1 0afce5932ba5aa6a2a8625e3896a5783 [0,0,0,1,0,1|1,0,1]=4 4883 B12R1.467 CCC[C@@H](C)OCC1CC(=O)O1 cb4d9f17c85fe7395b344ec495c26662 [0,0,0,1,0,1|1,0,1]=4 4884 B12R1.467 CCC[C@H](C)NCC1CC(=O)O1 d3c3c7e6692bb05de9eee963bb353a76 [0,0,0,1,0,1|1,0,1]=4 4885 B12R1.467 CCC[C@H](C)OCC1CC(=O)O1 b70351a02207739ed5971739fa691c89 [0,0,0,1,0,1|1,0,1]=4 4886 B12R1.467 CCNC(=O)CNC1CC(=O)C1 ba8e6e05e660138aff5a88b7338fd6d6 [0,0,0,1,0,1|2,0,0]=4 4887 B12R1.467 CCNC(=O)COC1CC(=O)C1 c6be27f92480f5e8ab6aa97d6399b3b7 [0,0,0,1,0,1|2,0,0]=4 4888 B12R1.467 CCOC(=O)COC1CC(=O)C1 87f6a565a982f3edd1c719df31bdc23a [0,0,0,1,0,1|2,0,0]=4 4889 B12R1.861 CC1CC(=O)OC1OCC(=O)N ee0f701bf2d40fa380da312d80829b83 [0,0,0,1,0,1|2,0,0]=4 4890 B12R1.861 CC1CC(=O)OC1OCC(=O)O 0813146616428e83ccee829ca417f083 [0,0,0,1,0,1|1,0,0]=3 4891 B12R1.861 CC1NC(=O)CC1OCC(=O)N 271059f5b540abfeb2c32584fa3ecf7d [0,0,0,1,0,1|2,0,0]=4 4892 B12R1.861 CC1NC(=O)CC1OCC(=O)O 749555b21f4c95931ce9bd72677334fb [0,0,0,1,0,1|1,0,0]=3 4893 B12R1.861 C[C@@H]1NC(=O)C[C@@H]1OCC(=O)N 3d82bccf40f9f3d6384aa394b23af7af [0,0,0,1,0,1|2,0,0]=4 4894 B12R1.861 C[C@@H]1NC(=O)C[C@@H]1OCC(=O)O 409db6e11c92da494afa66e91fef85ab [0,0,0,1,0,1|1,0,0]=3 4895 B12R1.878 CC(=O)N1CCNC(=O)CC1C 0e4392ed4a4473e44664e4000fbded2d [0,0,0,1,0,1|2,0,0]=4 4896 B12R1.1020 C=C(Br)CN1CCCC(=O)CC1 c0dc4a1920326ddce61680bb3bc7498b [0,0,0,1,0,1|2,0,0]=4 4897 B12R1.1020 C=C(C)CN1CCCC(=O)CC1 e7bc65c781e4418f9cf2023e773a0884 [0,0,0,1,0,1|2,0,0]=4 4898 B12R1.1020 C=C(Cl)CN1CCCC(=O)CC1 5fac0e86a0cba79b25173b0c04688323 [0,0,0,1,0,1|2,0,0]=4 4899 B12R1.1020 C=C(F)CN1CCCC(=O)CC1 dec3f81ca6fba6a4df8181c8226773c8 [0,0,0,1,0,1|2,0,0]=4 4900 B12R1.1020 CC(O)CN1CCCC(=O)CC1 2c47d410ec5bf0605c7a4ab6b061e42e [0,0,0,1,0,1|1,0,1]=4 4901 B12R1.1020 CC1CCCN(CC1)CC(=O)O b67d0fe2e23cf8c59d486832604bdfd9 [0,0,0,1,0,1|1,0,1]=4 4902 B12R1.1020 CN1CCCN(CC1)CC(=O)O 5f30ac3436990330af3433b43a08cf23 [0,0,0,1,0,1|2,0,0]=4 4903 B12R1.1020 C[C@H](O)CN1CCCC(=O)CC1 b146f8d6fcb2fd046371774580f24917 [0,0,0,1,0,1|1,0,1]=4 4904 B12R1.1020 NC(=O)CN1CCCC(=O)CC1 546c8eb4720cbf35775348cbfe7fe544 [0,0,0,1,0,1|1,0,0]=3 4905 B12R1.1020 NC(=O)CN1CCNC(=O)CC1 eb90a9d08c240a392da704e9c115f11a [0,0,0,1,0,1|2,0,0]=4 4906 B12R1.1020 O=C(O)CN1CCCC(=O)CC1 abb81a96444665c14b6e83bdd16cc13c [0,0,0,1,0,1|0,0,0]=2 4907 B12R1.1020 O=C(O)CN1CCCC(CC1)F b0490cd7e75c3c01426c16da660a68a9 [0,0,0,1,0,1|1,0,1]=4 4908 B12R1.1020 O=C(O)CN1CCCC(CC1)O d2cccc38f0d0d1d8051ffaa0f5eddf2f [0,0,0,1,0,1|0,0,2]=4 4909 B12R1.1020 O=C(O)CN1CCC[C@@H](CC1)O e3b9c9385bbed2dcba828ea4bd01c9ef [0,0,0,1,0,1|0,0,2]=4 4910 B12R1.1020 O=C(O)CN1CCC[C@H](CC1)O 07a6e24e04f247cea8f588c435c38926 [0,0,0,1,0,1|0,0,2]=4 4911 B12R1.1020 O=C(O)CN1CCNC(=O)CC1 3608592ebbc405e9ce4e42b0e03afd03 [0,0,0,1,0,1|1,0,0]=3 4912 B12R1.1020 O=C1CCCN(CC1)C[N+](=O)[O-] c2f39b8d081d9becc5d38a752e40adb7 [0,0,0,1,0,1|1,0,1]=4 4913 B12R1.1356 C=C(Br)CCOCC(=O)C1CC1 a43c01428d6b78f07e2ce671b159a980 [0,0,0,1,0,1|2,0,0]=4 4914 B12R1.1356 C=C(C)CCNCC(=O)C1CC1 d395ee762162606c1245b43615b29716 [0,0,0,1,0,1|2,0,0]=4 4915 B12R1.1356 C=C(C)CCOCC(=O)C1CC1 8053b1ceb62ededfc309335477130d59 [0,0,0,1,0,1|2,0,0]=4 4916 B12R1.1356 CC(=O)CCOCC(=O)C1CC1 6811d2dcde9ff9ffe439d1fabb30b38f [0,0,0,1,0,1|1,0,0]=3 4917 B12R1.1356 CC(=O)CNCOC(=O)C1CC1 699b2bb36d343db64412d1fcbaff21f8 [0,0,0,1,0,1|2,0,0]=4 4918 B12R1.1356 CC(=O)COCOC(=O)C1CC1 a8a72c484798e7e0c0e0d2c6851f2f60 [0,0,0,1,0,1|2,0,0]=4 4919 B12R1.1356 CC(=O)NCOCC(=O)C1CC1 235ed224857256c88edab86c18cc5dfc [0,0,0,1,0,1|2,0,0]=4 4920 B12R1.1356 CC(=O)OCOCC(=O)C1CC1 238b55bd8089d62c28fc17fb6182aa9d [0,0,0,1,0,1|2,0,0]=4 4921 B12R1.1356 CC(O)CCNCC(=O)C1CC1 2b322219f4a9d0468f0d6bfb32061c02 [0,0,0,1,0,1|1,0,1]=4 4922 B12R1.1356 CS(=O)CCNCC(=O)C1CC1 60f675667299c3274db4b12b7d96d13d [0,0,0,1,0,1|2,0,0]=4 4923 B12R1.1356 CS(=O)CCOCC(=O)C1CC1 e02a78b45b2cd58bc9d9c0dbc3d0a841 [0,0,0,1,0,1|2,0,0]=4 4924 B12R1.1356 C[C@@H](NCCCC(=O)O)C1CC1 6faa5cc7bae48f57ff91f0d7419ac039 [0,0,0,1,0,1|1,0,1]=4 4925 B12R1.1356 C[C@@H](O)CCNCC(=O)C1CC1 443672fc934dbdbd9431a8bb6646dda1 [0,0,0,1,0,1|1,0,1]=4 4926 B12R1.1356 C[C@H](NCCCC(=O)O)C1CC1 5d09b5d1f048a0d90f3c91127e1ae391 [0,0,0,1,0,1|1,0,1]=4 4927 B12R1.1356 C[C@H](O)CCNCC(=O)C1CC1 f381e6fe23ba31e6e5ef371f7371c5f5 [0,0,0,1,0,1|1,0,1]=4 4928 B12R1.1356 NC(=O)CCNCC(=O)C1CC1 d28ffafdc12fe6ebf1710b0ef49118c2 [0,0,0,1,0,1|1,0,0]=3 4929 B12R1.1356 NC(=O)CCOCC(=O)C1CC1 0fd5b21f7aa40d22ba9d2062a5b10ee5 [0,0,0,1,0,1|1,0,0]=3 4930 B12R1.1356 NC(=O)CNCOC(=O)C1CC1 c8ae963e3094c4a4914b9f4414b77f32 [0,0,0,1,0,1|2,0,0]=4 4931 B12R1.1356 NC(=O)COCOC(=O)C1CC1 35ac24ba8700bf1dce6cce884364a462 [0,0,0,1,0,1|2,0,0]=4 4932 B12R1.1356 NC(=O)NCOCC(=O)C1CC1 6aa0fd565e322d8da435953c7b68e10c [0,0,0,1,0,1|2,0,0]=4 4933 B12R1.1356 NC(=O)SCOCC(=O)C1CC1 57fa5059ef122054bf4285f9bba398f8 [0,0,0,1,0,1|2,0,0]=4 4934 B12R1.1356 NC(=S)CCNCC(=O)C1CC1 d5fc40652a795c389228dda9adc62cc6 [0,0,0,1,0,1|1,1,0]=4 4935 B12R1.1356 O=C(CNCCS(=O)O)C1CC1 6af933fab81953e5807ac19fa4c91e96 [0,0,0,1,0,1|1,0,0]=3 4936 B12R1.1356 O=C(COCC[N+](=O)[O-])C1CC1 0758bdaa9afc0383b149a9384e01948d [0,0,0,1,0,1|1,0,1]=4 4937 B12R1.1356 O=C(O)CCNCC(=O)C1CC1 2911771a844df9932315710449a68da4 [0,0,0,1,0,1|0,0,0]=2 4938 B12R1.1356 O=C(O)CCNCC(O)C1CC1 1b815bdf09b53d3e43cc57086ccbf1b8 [0,0,0,1,0,1|0,0,2]=4 4939 B12R1.1356 O=C(O)CCOCC(=O)C1CC1 53687c4a52a4176d27079be60bbb9518 [0,0,0,1,0,1|0,0,0]=2 4940 B12R1.1356 O=C(O)CNCOC(=O)C1CC1 31841a9273ec45657e69cf6ff8e0d517 [0,0,0,1,0,1|1,0,0]=3 4941 B12R1.1356 O=C(OCOCS(=O)O)C1CC1 257d65f38fe34437a9b863997f1992b5 [0,0,0,1,0,1|2,0,0]=4 4942 B12R1.1505 C=C1CC1COCC(=O)CCC 794d0a3e60901a3f027105a3cb966def [0,0,0,1,0,1|2,0,0]=4 4943 B12R1.1584 CCCC(=O)N1CCC1C(=O)N 14a8a3be0b4aeccb8f721a0699a04a34 [0,0,0,1,0,1|1,0,0]=3 4944 B12R1.1584 CCCC(=O)N1CC[C@@H]1C(=O)N 6df08ef163b9bdab4323864e893b4ff9 [0,0,0,1,0,1|1,0,0]=3 4945 B12R1.1584 CCCC(=O)N1CC[C@H]1C(=O)N c4b3e8060ad1bbfb82e80c5d5ba18e4f [0,0,0,1,0,1|1,0,0]=3 4946 B12R1.1584 CCCC(C)N1CCC1C(=O)O 62fff593920449f1a29d38bedba5d984 [0,0,0,1,0,1|1,0,1]=4 4947 B12R1.1584 CCCC(C)N1CC[C@@H]1C(=O)O ed5c53ee0b90d468d3174dfe120950b2 [0,0,0,1,0,1|1,0,1]=4 4948 B12R1.1584 CCCC(C)N1CC[C@H]1C(=O)O fc15db0c447162b712862bff8e149c45 [0,0,0,1,0,1|1,0,1]=4 4949 B12R1.1584 COCC(=O)N1CCC1C(=O)N 01ad72d03166f0fea55d81a4733c6e76 [0,0,0,1,0,1|2,0,0]=4 4950 B12R1.1584 COCC(=O)N1CC[C@@H]1C(=O)N 75a1db09e2d2b873cab901fa85735d79 [0,0,0,1,0,1|2,0,0]=4 4951 B12R1.1584 COCC(=O)N1CC[C@H]1C(=O)N 8588bea695f45e5bb878700c5f00a447 [0,0,0,1,0,1|2,0,0]=4 4952 B12R1.1584 CSCC(=O)N1CCC1C(=O)N 327cf3a65a8b222a1252396d338a82a9 [0,0,0,1,0,1|2,0,0]=4 4953 B12R1.1584 CSCC(=O)N1CC[C@@H]1C(=O)N 8088808b5954076227fe8b3e30c368c0 [0,0,0,1,0,1|2,0,0]=4 4954 B12R1.1584 CSCC(=O)N1CC[C@H]1C(=O)N 17ceb1652589900120bbc838f2ffb0d0 [0,0,0,1,0,1|2,0,0]=4 4955 B12R1.1584 NC(=O)C1CCN1C(=O)CCF 1c203952b838bf6a1cc34adbdb29adda [0,0,0,1,0,1|2,0,0]=4 4956 B12R1.1584 NC(=O)C1CCN1C(=O)CCO f0e4eb7667aadcc66b8d76794c5ec1c7 [0,0,0,1,0,1|2,0,0]=4 4957 B12R1.1584 NC(=O)C1CCN1C(=O)CCS b568b9b943288b56b50d14cdac860bba [0,0,0,1,0,1|2,0,0]=4 4958 B12R1.1584 NC(=O)[C@@H]1CCN1C(=O)CCF a1e73f2019dc044228d4fd07df98ecb6 [0,0,0,1,0,1|2,0,0]=4 4959 B12R1.1584 NC(=O)[C@@H]1CCN1C(=O)CCO 7da37f46f4139e07777b918d53055ae5 [0,0,0,1,0,1|2,0,0]=4 4960 B12R1.1584 NC(=O)[C@@H]1CCN1C(=O)CCS a6a47f594c5b5165bf90fd70e79137e6 [0,0,0,1,0,1|2,0,0]=4 4961 B12R1.1584 NC(=O)[C@H]1CCN1C(=O)CCF 132bf6ecd153ca41d84485a1b38735d1 [0,0,0,1,0,1|2,0,0]=4 4962 B12R1.1584 NC(=O)[C@H]1CCN1C(=O)CCO 39ef53df8691922f08b11ebd1c777d68 [0,0,0,1,0,1|2,0,0]=4 4963 B12R1.1584 NC(=O)[C@H]1CCN1C(=O)CCS e83a7a54ff01eaa662db658094c2b3b2 [0,0,0,1,0,1|2,0,0]=4 4964 B12R1.1615 CCCC(=S)O[C@@H]1C[C@@H]1C(=O)O 7a9af73bd5d5bcb3c86d50b99ff15a3f [0,0,0,1,0,1|0,1,0]=3 4965 B12R1.1615 CCCC(=S)O[C@H]1C[C@@H]1C(=O)O f9678168b161d6fcd4699daae1f75d37 [0,0,0,1,0,1|0,1,0]=3 4966 B12R1.1615 CCCC(=S)O[C@H]1C[C@H]1C(=O)O 079a99983022aa9874dd3ddd64d462e0 [0,0,0,1,0,1|0,1,0]=3 4967 B12R1.1615 CCCC(C)N[C@@H]1C[C@@H]1C(=O)O 708f93913587184c4996984c93ce7a8a [0,0,0,1,0,1|1,0,1]=4 4968 B12R1.1615 CCCC(C)N[C@H]1C[C@@H]1C(=O)O be08947467d591803270a44cd45b7699 [0,0,0,1,0,1|1,0,1]=4 4969 B12R1.1615 CCCC(C)N[C@H]1C[C@H]1C(=O)O 1d1f1c4df486eea3dc46092fd9009188 [0,0,0,1,0,1|1,0,1]=4 4970 B12R1.1615 CCCC(C)O[C@@H]1C[C@@H]1C(=O)O 07a54a9fbb05da59ae4c2e4580b49d96 [0,0,0,1,0,1|1,0,1]=4 4971 B12R1.1615 CCCC(C)O[C@H]1C[C@@H]1C(=O)O b2b12f8e2aed803676b4fd8e3516686c [0,0,0,1,0,1|1,0,1]=4 4972 B12R1.1615 CCCC(C)O[C@H]1C[C@H]1C(=O)O 8f76d3f88884235e07d358b73b4b73fe [0,0,0,1,0,1|1,0,1]=4 4973 B12R1.1615 CCCN(C)CC1CC1C(=O)O fad9f22491f9745e7a0fee2b7f5e9f87 [0,0,0,1,0,1|2,0,0]=4 4974 B12R1.1615 CCCN(C)C[C@@H]1C[C@H]1C(=O)O 1cae0a2f1a449305a24b1d971a995691 [0,0,0,1,0,1|2,0,0]=4 4975 B12R1.1615 CCC[C@@H](C)O[C@@H]1C[C@@H]1C(=O)O 6fa96976b9a4adf788f182a1e9fc4eaf [0,0,0,1,0,1|1,0,1]=4 4976 B12R1.1615 CCC[C@@H](C)O[C@H]1C[C@@H]1C(=O)O 7a1cf219d48dba4e9e7c8393d8c42d73 [0,0,0,1,0,1|1,0,1]=4 4977 B12R1.1615 CCC[C@@H](C)O[C@H]1C[C@H]1C(=O)O cf11e0deb6c389bf473127c0f50f58bd [0,0,0,1,0,1|1,0,1]=4 4978 B12R1.1615 CCC[C@H](C)N[C@@H]1C[C@@H]1C(=O)O 4a4e6823efb1118023541c55f887dd0f [0,0,0,1,0,1|1,0,1]=4 4979 B12R1.1615 CCC[C@H](C)N[C@H]1C[C@@H]1C(=O)O be186750d954cce26b69cb8e7c9b77ec [0,0,0,1,0,1|1,0,1]=4 4980 B12R1.1615 CCC[C@H](C)N[C@H]1C[C@H]1C(=O)O e2de866918ee3cdbca2897542b609f93 [0,0,0,1,0,1|1,0,1]=4 4981 B12R1.1615 CCC[C@H](C)O[C@@H]1C[C@@H]1C(=O)O b3c3f351c4b7a899d449b176b2549c29 [0,0,0,1,0,1|1,0,1]=4 4982 B12R1.1615 CCC[C@H](C)O[C@H]1C[C@@H]1C(=O)O e82277e3ef407d0b8e75170a09e2a5c4 [0,0,0,1,0,1|1,0,1]=4 4983 B12R1.1615 CCC[C@H](C)O[C@H]1C[C@H]1C(=O)O d623f3b049eade74d93a971f76528bb4 [0,0,0,1,0,1|1,0,1]=4 4984 B12R1.2795 CC1(CCC1)CNCCC(=O)O a2949df92eede9d6dd6effcd9d3e6cf4 [0,0,0,1,0,1|1,0,1]=4 4985 B12R1.2795 CC1(CCC1)COCCC(=O)O fec412f089e569071b58f1906ffa0882 [0,0,0,1,0,1|1,0,1]=4 4986 B12R1.2795 CC1(CCC1)NCCCC(=O)O 770cf69484f730b699164adcfeaf43ea [0,0,0,1,0,1|1,0,1]=4 4987 B12R1.2795 O=C(O)CCNCC1(CCC1)O dadca51f00e7e716a4d37e0c8acd9a40 [0,0,0,1,0,1|0,0,2]=4 4988 B12R1.2795 O=C(O)CCOCC1(CCC1)F 10fb4803cd802ab459bb496a5298f3d3 [0,0,0,1,0,1|1,0,1]=4 4989 B12R1.2795 O=C(O)CNCCC1(CCC1)O e8957fb2cdd9fb3ee5711bbeb970a4cf [0,0,0,1,0,1|0,0,2]=4 4990 B12R1.101 CC1CN(CC(=O)N1)CC(=O)O c887671b760d1d7b4ae21a85066a10db [0,1,0,1,0,0|2,0,0]=4 4991 B12R1.101 C[C@@H]1CN(CC(=O)N1)CC(=O)O 2d7e5b4db9f2a2f7146f3165f57b8524 [0,1,0,1,0,0|2,0,0]=4 4992 B12R1.101 C[C@H]1CN(CC(=O)N1)CC(=O)O 7e90b3bbbbc1f23c2454f3f2a1f79480 [0,1,0,1,0,0|2,0,0]=4 4993 B12R1.277 CCCN1CC(C(C1)C(=O)O)C e5907e68b366d7e2ba19c017eaed58d8 [0,1,0,1,0,0|2,0,0]=4 4994 B12R1.277 CCCN1C[C@@H]([C@@H](C1)C(=O)O)C 5e308018a841102621a09962c02b4b53 [0,1,0,1,0,0|2,0,0]=4 4995 B12R1.874 NC(=O)CN1CCCNC(=O)C1 adc896d1047839d32a0a2da73edf75af [0,1,0,1,0,0|2,0,0]=4 4996 B12R1.874 O=C(O)CN1CCCNC(=O)C1 8f3f323444ed8690269efeda10bac668 [0,1,0,1,0,0|1,0,0]=3 4997 B12R1.1000 CC(=O)N1[C@@H](CC(=O)C[C@@H]1C)C cb76a718a0c2a4128ff0c805e64d7133 [0,1,0,1,0,0|2,0,0]=4 4998 B12R1.1061 CC(C)CN(C)CC1CC(=O)O1 edebbc36456a1c69c8d7f5904842b204 [0,1,0,1,0,0|2,0,0]=4 4999 B12R1.1061 CC(O)CN(C)CC1CC(=O)O1 2374238b7eb18bfb6697147d2e008efc [0,1,0,1,0,0|2,0,0]=4 5000 B12R1.1061 C[C@H](O)CN(C)CC1CC(=O)O1 4fb87f92d71691354f7a06672ef72c8e [0,1,0,1,0,0|2,0,0]=4 5001 B12R1.1811 CN(CC(=O)N)CC(=O)C1CC1 38173b70fbd1626b3299fbd15b0dc73a [0,1,0,1,0,0|2,0,0]=4 5002 B12R1.1811 CN(CC(=O)O)CC(=O)C1CC1 73da52fe5d8626a92259ba090c3ae559 [0,1,0,1,0,0|1,0,0]=3 5003 B12R1.105 CC1CCN(C1)CCCC(=O)O bcd4c219e12efc8921d673ee227db5e6 [0,1,0,1,0,0|2,0,0]=4 5004 B12R1.105 CN1CCN(C1)CCCC(=O)O d06c9995c7ba332649f34cb102448c57 [0,1,0,1,0,0|2,0,0]=4 5005 B12R1.105 O=C(O)CCCN1CCC(C1)O c1859fc0fb87871e90bc4eb9db45578c [0,1,0,1,0,0|2,0,0]=4 5006 B12R1.105 O=C(O)CCCN1CC[C@@H](C1)O 0e8400cc2ccf839593e85dc0e3492303 [0,1,0,1,0,0|2,0,0]=4 5007 B12R1.105 O=C(O)CCCN1CC[C@H](C1)O 93c90fc1cf89335a361ebb69672c46af [0,1,0,1,0,0|2,0,0]=4 5008 B12R1.389 CC(C)CN1CCC(C1)C(=O)O 879015e78a2f7122c44b0b0a65c932e4 [0,1,0,1,0,0|2,0,0]=4 5009 B12R1.389 CC(C)CN1CC[C@@H](C1)C(=O)O cc667cf0982433eb23fe7a0aba1ea19e [0,1,0,1,0,0|2,0,0]=4 5010 B12R1.389 CC(C)CN1CC[C@H](C1)C(=O)O 74b4ea1ea87747a9b69f819151d2085b [0,1,0,1,0,0|2,0,0]=4 5011 B12R1.389 CC(O)CN1CCC(C1)C(=O)O 76ab629cce56ad7f73299b9dd6f160a1 [0,1,0,1,0,0|2,0,0]=4 5012 B12R1.389 CC(O)CN1CC[C@@H](C1)C(=O)O 2226c54c622b5c6e90a255b01ef1a1c1 [0,1,0,1,0,0|2,0,0]=4 5013 B12R1.389 CC(O)CN1CC[C@H](C1)C(=O)O 6d2cc3e18d7a2abb6b8c590423dc1417 [0,1,0,1,0,0|2,0,0]=4 5014 B12R1.389 C[C@@H](O)CN1CCC(C1)C(=O)O 181a9cabba7869701543e8a39331656e [0,1,0,1,0,0|2,0,0]=4 5015 B12R1.389 C[C@@H](O)CN1CC[C@@H](C1)C(=O)O 1cd932dfa813e48e8735467c168fd8cd [0,1,0,1,0,0|2,0,0]=4 5016 B12R1.389 C[C@@H](O)CN1CC[C@H](C1)C(=O)O 2c01926f8316f19cfae4222e9e68632b [0,1,0,1,0,0|2,0,0]=4 5017 B12R1.389 C[C@H](O)CN1CCC(C1)C(=O)O 1c0fbdbc927589cbecf68b219ac46577 [0,1,0,1,0,0|2,0,0]=4 5018 B12R1.389 C[C@H](O)CN1CC[C@@H](C1)C(=O)O b14656521af071432a6a54efb46bb518 [0,1,0,1,0,0|2,0,0]=4 5019 B12R1.389 C[C@H](O)CN1CC[C@H](C1)C(=O)O 27d18990f653a4136d5c6360941065b7 [0,1,0,1,0,0|2,0,0]=4 5020 B12R1.852 CC1(NC(=O)CN1CC(=O)O)C cbda736e96169cf6ee8e2e5be68ce787 [0,1,0,1,0,0|2,0,0]=4 5021 B12R1.1359 C=C(C)CCCC(=O)NC1CC1 e2130272f0ec801bddc76522827e36c0 [0,1,0,1,0,0|2,0,0]=4 5022 B12R1.1359 CC(=O)CCCC(=O)NC1CC1 c33500f7b59038c7b26d7e7fbab4af85 [0,1,0,1,0,0|1,0,0]=3 5023 B12R1.1359 CC(=O)CNCC(=O)NC1CC1 441e42176000cbcb4520d2ef185a4960 [0,1,0,1,0,0|2,0,0]=4 5024 B12R1.1359 CC(=O)COCC(=O)NC1CC1 7108bcd89e6d4c92d7eafc103ff9f433 [0,1,0,1,0,0|2,0,0]=4 5025 B12R1.1359 CC(=O)NCCC(=O)NC1CC1 50d8d08dce2890411235694b37904ba5 [0,1,0,1,0,0|2,0,0]=4 5026 B12R1.1359 CC(=O)OCCC(=O)NC1CC1 bb9640ddc9775b3afcf60676b9aea3ed [0,1,0,1,0,0|2,0,0]=4 5027 B12R1.1359 CC(=O)SCCC(=O)NC1CC1 868e2cbe575f55f81c6c9262945f78fb [0,1,0,1,0,0|2,0,0]=4 5028 B12R1.1359 CN(CCCC(=O)O)CC1CC1 4bc5e76ba4a6b49e311e7eb0960f7900 [0,1,0,1,0,0|2,0,0]=4 5029 B12R1.1359 NC(=O)CCCC(=O)NC1CC1 9fbe2b30551dae5649d6d38c40ff53aa [0,1,0,1,0,0|1,0,0]=3 5030 B12R1.1359 NC(=O)CCNC(=O)CC1CC1 23436b7c9c82a354f1ef760308b7c75c [0,1,0,1,0,0|2,0,0]=4 5031 B12R1.1359 NC(=O)CCNC(=O)NC1CC1 d07b03d6199aa7e73b3f8b4cbf667035 [0,1,0,1,0,0|2,0,0]=4 5032 B12R1.1359 NC(=O)CNCC(=O)NC1CC1 fbb103977326c3340d894c2e6bceb1af [0,1,0,1,0,0|2,0,0]=4 5033 B12R1.1359 NC(=O)COCC(=O)NC1CC1 c70da0d0606aee272ebe25499dea8de9 [0,1,0,1,0,0|2,0,0]=4 5034 B12R1.1359 NC(=O)CSCC(=O)NC1CC1 f08b92aac08dbd30725c57f85ab1f95d [0,1,0,1,0,0|2,0,0]=4 5035 B12R1.1359 NC(=O)NCCC(=O)NC1CC1 66e1688108ed24b1a9aa06f7d1859ecb [0,1,0,1,0,0|2,0,0]=4 5036 B12R1.1359 O=C(CC1CC1)NCCS(=O)O 58aef29e4672f5580fdc8dccb5a85d71 [0,1,0,1,0,0|2,0,0]=4 5037 B12R1.1359 O=C(CCC[N+](=O)[O-])NC1CC1 1d1836e74eaf5187b2f6cc206cef0edd [0,1,0,1,0,0|1,0,1]=4 5038 B12R1.1359 O=C(COCS(=O)O)NC1CC1 565c601f63647f4eefc855e996b6a14a [0,1,0,1,0,0|2,0,0]=4 5039 B12R1.1359 O=C(NCCS(=O)O)NC1CC1 4f6d090f68396ecd60e835e73ac79123 [0,1,0,1,0,0|2,0,0]=4 5040 B12R1.1359 O=C(O)CCNC(=O)NC1CC1 57a8e474e3badf1b3ca075ee973ed87a [0,1,0,1,0,0|1,0,0]=3 5041 B12R1.1359 O=C(O)CCNC(=S)NC1CC1 4bd279e5ae055249a76da47eeff2e0a5 [0,1,0,1,0,0|1,1,0]=4 5042 B12R1.1359 O=C(O)CNCC(=O)NC1CC1 5aacc5cca7d439201b12020b24457e9c [0,1,0,1,0,0|1,0,0]=3 5043 B12R1.1359 O=C(O)COCC(=O)NC1CC1 f9007cd79e0f6125dc06c1e30ceea8a9 [0,1,0,1,0,0|1,0,0]=3 5044 B12R1.1394 CC(C)CN1CC(C1)CC(=O)O 3c5a5af57abca62a17336f0aa5a4a1d1 [0,1,0,1,0,0|2,0,0]=4 5045 B12R1.1394 CC(O)CN1CC(C1)CC(=O)O 6beb401c55409d18a1fddd21583cc4a7 [0,1,0,1,0,0|2,0,0]=4 5046 B12R1.1394 C[C@@H](O)CN1CC(C1)CC(=O)O 909a10419e7d9e9bdb69927b43bcbbaf [0,1,0,1,0,0|2,0,0]=4 5047 B12R1.1394 C[C@H](O)CN1CC(C1)CC(=O)O a0e239beca9ea340cbaa29298dd93a8f [0,1,0,1,0,0|2,0,0]=4 5048 B12R1.1810 CC1(CN(C1)CCCC(=O)O)C 5b2d9440a2711d45edf1aa45aa16cf04 [0,1,0,1,0,0|2,0,0]=4 5049 B12R1.1810 CC1(CN(C1)CCCC(=O)O)O 0545fa5b387c9d030be938525d888920 [0,1,0,1,0,0|2,0,0]=4 5050 B12R1.2677 CC(C)CN(C)[C@@H]1C[C@@H]1C(=O)O db9462258e03029b43f49c0daf5eb65c [0,1,0,1,0,0|2,0,0]=4 5051 B12R1.2677 CC(C)CN(C)[C@H]1C[C@@H]1C(=O)O de16b7ad409d02f250505cd21b3a3da8 [0,1,0,1,0,0|2,0,0]=4 5052 B12R1.2677 CC(C)CN(C)[C@H]1C[C@H]1C(=O)O c0c9ff417398d4995fb47cba908b6074 [0,1,0,1,0,0|2,0,0]=4 5053 B12R1.2677 CC(O)CN(C)[C@@H]1C[C@@H]1C(=O)O 8017cb0cea8da213b6e495b5fd5ae7d4 [0,1,0,1,0,0|2,0,0]=4 5054 B12R1.2677 CC(O)CN(C)[C@H]1C[C@@H]1C(=O)O 42df56f2739bc847b2e34f05e0af2737 [0,1,0,1,0,0|2,0,0]=4 5055 B12R1.2677 CC(O)CN(C)[C@H]1C[C@H]1C(=O)O eec846013c59019afa262122e521b25d [0,1,0,1,0,0|2,0,0]=4 5056 B12R1.2677 C[C@H](O)CN(C)[C@@H]1C[C@@H]1C(=O)O b7351062c03fb552220d3caa70805162 [0,1,0,1,0,0|2,0,0]=4 5057 B12R1.2677 C[C@H](O)CN(C)[C@H]1C[C@@H]1C(=O)O 27f5605065d96cfc2ae12711ebfd02e7 [0,1,0,1,0,0|2,0,0]=4 5058 B12R1.2677 C[C@H](O)CN(C)[C@H]1C[C@H]1C(=O)O fea404a76372f8c00ed6bbdb8b4e75a7 [0,1,0,1,0,0|2,0,0]=4 5059 B12R1.113 CCCN1CCC(CC1)C(=O)O b45a9e445b7543667bd8ff0cfb505e59 [0,1,0,1,0,0|2,0,0]=4 5060 B12R1.136 CCCN(CC)CC1CC(=O)O1 7e0cd123b818a058f843767d9c0e0186 [0,1,0,1,0,0|2,0,0]=4 5061 B12R1.184 CCCN1CC[C@@H]([C@H]1C)C(=O)O 8d238311e34cbeb783232cae9658a709 [0,1,0,1,0,0|2,0,0]=4 5062 B12R1.252 O=C(O)CCCN1CCCSC1 a87adf4d2221f4db5a30022b73442100 [0,1,0,1,0,0|1,1,0]=4 5063 B12R1.252 O=C(O)CCCN1CCOCC1 e56fc0ea9907a4fc2043359fb4b1f3ba [0,1,0,1,0,0|2,0,0]=4 5064 B12R1.252 O=C(O)CCCN1CCSCC1 46bda9e6afdf08ec5213b8debeee34fa [0,1,0,1,0,0|2,0,0]=4 5065 B12R1.252 O=C(O)CNCC1=CCCCC1 769e78d9bfc629e90426b91caf3e6daf [0,1,0,1,0,0|2,0,0]=4 5066 B12R1.252 O=C(O)CNCC1=CCOCC1 127f77bf09c1a74f10f696afbe888988 [0,1,0,1,0,0|2,0,0]=4 5067 B12R1.252 O=C(O)COCC1=CCCCO1 eec69114948fd21007837a94125739b1 [0,1,0,1,0,0|1,0,1]=4 5068 B12R1.438 CCN1CCCC(C1)CC(=O)O 9e8bcb2783ffe03b697dd91bbcb86790 [0,1,0,1,0,0|2,0,0]=4 5069 B12R1.438 O=C(O)CC1CCCN(C1)CF 5b3bd25ce8df62ca1bb2e0dd87890828 [0,1,0,1,0,0|2,0,0]=4 5070 B12R1.438 O=C(O)CC1CCCN(C1)CO 55399e8a12ac17c151566d2cc5abadd4 [0,1,0,1,0,0|1,0,1]=4 5071 B12R1.444 CCC1CCN1CCCC(=O)O b5261ace6f44f98d2d9e52cc6bfb60a9 [0,1,0,1,0,0|2,0,0]=4 5072 B12R1.452 CC1CN(CCC1C(=O)O)CF a0386f20f82c8f05f5bece34f9e9c295 [0,1,0,1,0,0|2,0,0]=4 5073 B12R1.452 CC1CN(CCC1C(=O)O)CO 450b65f95cc873245829b2d65f8d2563 [0,1,0,1,0,0|1,0,1]=4 5074 B12R1.452 CCN1CCC(C(C1)C)C(=O)O 705d65b41d4210cf4ba3f413730a1abc [0,1,0,1,0,0|2,0,0]=4 5075 B12R1.452 CCN1CC[C@@H]([C@@H](C1)C)C(=O)O c2fbf759565fc8249e188f0fb8fdbb17 [0,1,0,1,0,0|2,0,0]=4 5076 B12R1.452 C[C@@H]1CN(CC[C@@H]1C(=O)O)CF 8783051a15e36d25844469207b52b4ff [0,1,0,1,0,0|2,0,0]=4 5077 B12R1.452 C[C@@H]1CN(CC[C@@H]1C(=O)O)CO 7ae3e936548d9aaea442655fa15cdd66 [0,1,0,1,0,0|1,0,1]=4 5078 B12R1.936 CCCN(CC)[C@@H]1C[C@@H]1C(=O)O 328b7bdeee815285b27cedfd18600e3a [0,1,0,1,0,0|2,0,0]=4 5079 B12R1.936 CCCN(CC)[C@H]1C[C@@H]1C(=O)O 4f73cb898b7a17e34e1d649df10f17b7 [0,1,0,1,0,0|2,0,0]=4 5080 B12R1.936 CCCN(CC)[C@H]1C[C@H]1C(=O)O 6ff3a5372fb32caabc74343f4952e3fc [0,1,0,1,0,0|2,0,0]=4 5081 B12R1.1891 CCN1CCCC(CC1)C(=O)O 94a8c04caa944e0370808aac4fc60def [0,1,0,1,0,0|2,0,0]=4 5082 B12R1.1891 O=C(O)C1CCCN(CC1)CF 53a630a3edf74b2e836393f84ce98d38 [0,1,0,1,0,0|2,0,0]=4 5083 B12R1.1891 O=C(O)C1CCCN(CC1)CO 6b591aec2f374825cf16cc754b97cad7 [0,1,0,1,0,0|1,0,1]=4 5084 B12R1.125 CC(=O)CNC1CCCCC1=O a377f22d1b39ec77a040a8541623200f [0,1,0,1,0,0|2,0,0]=4 5085 B12R1.125 CC(=O)CNC1CCCNC1=O 3779914d9002358a5d1550d23eff4c6c [0,1,0,1,0,0|2,0,0]=4 5086 B12R1.125 CC(=O)CNC1SCCCC1=O eacb68556d30b501622eb1db7a959f66 [0,1,0,1,0,0|2,0,0]=4 5087 B12R1.125 CC(=O)COC1CCCNC1=O 942d34ff26c53033374a8ba3d935dde8 [0,1,0,1,0,0|2,0,0]=4 5088 B12R1.125 CC(=O)COC1COCCC1=O c4a15f4b3c3c83ed3477655a629e2ef5 [0,1,0,1,0,0|2,0,0]=4 5089 B12R1.125 CC(=O)COC1SCCCC1=O 7f17c3b3c939188b5faf2eb0677ad5d5 [0,1,0,1,0,0|2,0,0]=4 5090 B12R1.125 NC(=O)CNC1CCCCC1=O 734e4645b1306e469f47dd1df36ec2d7 [0,1,0,1,0,0|2,0,0]=4 5091 B12R1.125 NC(=O)CNC1CCCNC1=O 5a9b97e23b7b2af38f3effd66883477c [0,1,0,1,0,0|2,0,0]=4 5092 B12R1.125 NC(=O)CNC1SCCCC1=O d317649f715af6d57fe0883ae57103b8 [0,1,0,1,0,0|2,0,0]=4 5093 B12R1.125 NC(=O)CN[C@@H]1CCCNC1=O d6ab769d38d2427618fb23fd668f5d45 [0,1,0,1,0,0|2,0,0]=4 5094 B12R1.125 NC(=O)CN[C@H]1CCCNC1=O 3623721fc86ed4df94c3897563cdd1ab [0,1,0,1,0,0|2,0,0]=4 5095 B12R1.125 NC(=O)COC1CCCCC1=O 3c6c8ffba94802aa85981dc78e958286 [0,1,0,1,0,0|2,0,0]=4 5096 B12R1.125 NC(=O)COC1CCCNC1=O 1644f1a4acf443730e30319e924b0fe9 [0,1,0,1,0,0|2,0,0]=4 5097 B12R1.125 NC(=O)COC1CCCOC1=O 7e93b5af9c18cbe93bc9f82041d854a1 [0,1,0,1,0,0|2,0,0]=4 5098 B12R1.125 NC(=O)COC1SCCCC1=O 015ca1377fd9987757f5c174bed43c79 [0,1,0,1,0,0|2,0,0]=4 5099 B12R1.125 NC(=O)CO[C@@H]1CCCNC1=O dfd9ab0242d2432d75ad322e2cafe396 [0,1,0,1,0,0|2,0,0]=4 5100 B12R1.125 NC(=O)CO[C@H]1CCCNC1=O 8f47d37667f8285dbd407cfc0ee475ad [0,1,0,1,0,0|2,0,0]=4 5101 B12R1.125 O=C(O)CNC1CCCNC1=O 068a282878b9860cc85e988dcd33a2ab [0,1,0,1,0,0|1,0,0]=3 5102 B12R1.125 O=C(O)CNC1SCCCC1=O 28972401f0688c9337339c0e1a4204fa [0,1,0,1,0,0|1,0,0]=3 5103 B12R1.125 O=C(O)CN[C@@H]1CCCNC1=O 2bbb499099abc1a13b76c5f631231419 [0,1,0,1,0,0|1,0,0]=3 5104 B12R1.125 O=C(O)CN[C@H]1CCCNC1=O ba17b75ae8ecbb376c8b86a9a7744220 [0,1,0,1,0,0|1,0,0]=3 5105 B12R1.125 O=C(O)COC1CCCC=C1Br 092dcaf085763eab6c06007ef37bff96 [0,1,0,1,0,0|2,0,0]=4 5106 B12R1.125 O=C(O)COC1CCCCC1=O a26594c11ae1178bfed3dcdada85908c [0,1,0,1,0,0|1,0,0]=3 5107 B12R1.125 O=C(O)COC1CCCNC1=O 220483747a916027e90443b24c867474 [0,1,0,1,0,0|1,0,0]=3 5108 B12R1.125 O=C(O)COC1CCCOC1=O 681eb477e7bd91d0f85009379ef3e052 [0,1,0,1,0,0|1,0,0]=3 5109 B12R1.125 O=C(O)COC1SCCCC1=O f5708c5d630da8b9903552667a77750a [0,1,0,1,0,0|1,0,0]=3 5110 B12R1.125 O=C(O)CO[C@@H]1CCCNC1=O 1fbb5cc4c553e0555ba2174396e085af [0,1,0,1,0,0|1,0,0]=3 5111 B12R1.125 O=C(O)CO[C@H]1CCCNC1=O 36d85098b1ff897ce3ceb6e6a17c6b53 [0,1,0,1,0,0|1,0,0]=3 5112 B12R1.125 O=C1CCCSC1OCS(=O)O e6c2f03d48c2e8a45fbbb72854cf5a80 [0,1,0,1,0,0|2,0,0]=4 5113 B12R1.131 CC1(CCNC1=O)NCC(=O)O a4e01afd8add0313a1aba6c7d650aba9 [0,1,0,1,0,0|2,0,0]=4 5114 B12R1.224 CC1C(=O)NCCN1CC(=O)O a026aead690ca5aff7a6cf7681956719 [0,1,0,1,0,0|2,0,0]=4 5115 B12R1.224 C[C@@H]1C(=O)NCCN1CC(=O)O 4d25d800623854269a2c3c3c5505fe72 [0,1,0,1,0,0|2,0,0]=4 5116 B12R1.224 C[C@H]1C(=O)NCCN1CC(=O)O 9a99fb344d72b27b42a2631d070f5914 [0,1,0,1,0,0|2,0,0]=4 5117 B12R1.1566 CCCC(=O)N1CC(C1)C(=O)N 137b0b83e47a7958d35eb2e569cbe25f [0,1,0,1,0,0|2,0,0]=4 5118 B12R1.1566 CCCN(C)C1CC(C1)C(=O)O bd10076282e5a3c1cf254673be1fb8cf [0,1,0,1,0,0|2,0,0]=4 5119 B12R1.1566 CCCN(C)[C@H]1C[C@@H](C1)C(=O)O 2bfaefaa6590e9540e9cdda9b77f9b6f [0,1,0,1,0,0|2,0,0]=4 5120 B12R1.1566 CCCN(C)[C@H]1C[C@H](C1)C(=O)O b55e6ab64bfab7ab244e3cef43d6da48 [0,1,0,1,0,0|2,0,0]=4 5121 B12R1.1812 CC(=O)CNC(C)C(=O)C1CC1 f8a5bf0f8d6deecec3587924e6b66ca1 [0,1,0,1,0,0|2,0,0]=4 5122 B12R1.1812 CC(=O)COC(C)C(=O)C1CC1 9a1428f89691b99b48fc005e3adfc90b [0,1,0,1,0,0|2,0,0]=4 5123 B12R1.1812 CC(NCC(=O)N)C(=O)C1CC1 13bedb0af6d71fac3d12c369d4a40aab [0,1,0,1,0,0|2,0,0]=4 5124 B12R1.1812 CC(OCC(=O)N)C(=O)C1CC1 147213cd1064d0578c2c5baa3082fc61 [0,1,0,1,0,0|2,0,0]=4 5125 B12R1.1812 CC(OCC(=O)O)C(=O)C1CC1 da607446d973e73bc9fa19b79f731186 [0,1,0,1,0,0|1,0,0]=3 5126 B12R1.1812 CC(OCS(=O)O)C(=O)C1CC1 4a0314dd83e59c17047ca4d7895ba973 [0,1,0,1,0,0|2,0,0]=4 5127 B12R1.145 CC(NC1CCCC1=O)C(=O)N c1df809166e26046ca07a0cf1df0365a [0,1,0,1,0,0|2,0,0]=4 5128 B12R1.145 CC(NC1CCCC1=O)C(=O)O e265f769454f9fe260b95386887c894b [0,1,0,1,0,0|1,0,0]=3 5129 B12R1.145 CC(NC1CCNC1=O)C(=O)O 5c4907d5cbc704ddbabded4a26f855b0 [0,1,0,1,0,0|2,0,0]=4 5130 B12R1.145 CC(NC1CCSC1=O)C(=O)O 1cd5bd7172173ce22946ceb04fb0c7d8 [0,1,0,1,0,0|2,0,0]=4 5131 B12R1.145 CC(N[C@@H]1CCNC1=O)C(=O)O c20339b6894bb8973d67726bbfb7e946 [0,1,0,1,0,0|2,0,0]=4 5132 B12R1.145 CC(N[C@H]1CCNC1=O)C(=O)O 190fd3c35d1ebd53ecfc84df2328a5bd [0,1,0,1,0,0|2,0,0]=4 5133 B12R1.145 C[C@@H](NC1CCCC1=O)C(=O)N 67c752d7a221df1cc471d00c219996d6 [0,1,0,1,0,0|2,0,0]=4 5134 B12R1.145 C[C@@H](NC1CCCC1=O)C(=O)O e99f937c3a4c3fe85d9db07102e275b2 [0,1,0,1,0,0|1,0,0]=3 5135 B12R1.145 C[C@@H](NC1CCNC1=O)C(=O)O fa887a5ade3e8c2af163aea46bc0a47b [0,1,0,1,0,0|2,0,0]=4 5136 B12R1.145 C[C@@H](NC1CCSC1=O)C(=O)O 2b92d6568b491faaa54abfe09bd24c44 [0,1,0,1,0,0|2,0,0]=4 5137 B12R1.145 C[C@@H](N[C@@H]1CCNC1=O)C(=O)O 04247e8619646cff2e06efb51cf8519f [0,1,0,1,0,0|2,0,0]=4 5138 B12R1.145 C[C@@H](N[C@H]1CCNC1=O)C(=O)O aff103231fbce0159568f3f402512511 [0,1,0,1,0,0|2,0,0]=4 5139 B12R1.145 C[C@H](NC1CCCC1=O)C(=O)N f4cc760f750c42ee5b49414d64e9791e [0,1,0,1,0,0|2,0,0]=4 5140 B12R1.145 C[C@H](NC1CCCC1=O)C(=O)O 1a7f567fbec218c579cb89351bca6ac9 [0,1,0,1,0,0|1,0,0]=3 5141 B12R1.145 C[C@H](NC1CCNC1=O)C(=O)O f8ec4956d988b6659554108bac98e096 [0,1,0,1,0,0|2,0,0]=4 5142 B12R1.145 C[C@H](NC1CCSC1=O)C(=O)O 5b42ae14af7a882ee00a39d98aaac2ed [0,1,0,1,0,0|2,0,0]=4 5143 B12R1.145 C[C@H](N[C@@H]1CCNC1=O)C(=O)O ec76a6cca0ad3604669fdc693c79f93e [0,1,0,1,0,0|2,0,0]=4 5144 B12R1.145 C[C@H](N[C@H]1CCNC1=O)C(=O)O be7747990fd7640149fb5cdf9ef4b86e [0,1,0,1,0,0|2,0,0]=4 5145 B12R1.145 O=C(O)C(F)NC1CCNC1=O 7bdd80df4cec0e612ed1dc8f50a13904 [0,1,0,1,0,0|2,0,0]=4 5146 B12R1.145 O=C(O)C(F)N[C@@H]1CCNC1=O 8474a86003ebf7c3cb27d41e7e07ed03 [0,1,0,1,0,0|2,0,0]=4 5147 B12R1.145 O=C(O)C(F)N[C@@H]1CCOC1=O 8dbcb53b9100064f72583c8bc1c01976 [0,1,0,1,0,0|2,0,0]=4 5148 B12R1.145 O=C(O)C(F)N[C@H]1CCNC1=O 4abb05753f64e5385fef5819212a6228 [0,1,0,1,0,0|2,0,0]=4 5149 B12R1.145 O=C(O)C(F)N[C@H]1CCOC1=O 6e78200d6c4447e1259c7ab04220d84e [0,1,0,1,0,0|2,0,0]=4 5150 B12R1.145 O=C(O)C(O)NC1CCNC1=O bc1d4c3438b325a613a358b8b255299a [0,1,0,1,0,0|2,0,0]=4 5151 B12R1.145 O=C(O)[C@H](F)N[C@@H]1CCOC1=O dbfb012e2ab7f411ce606cdff372e93f [0,1,0,1,0,0|2,0,0]=4 5152 B12R1.145 O=C(O)[C@H](F)N[C@H]1CCOC1=O 6a8d3b96e1ca726622f5f31e10895ceb [0,1,0,1,0,0|2,0,0]=4 5153 B12R1.225 CC(=O)C(C)N1CCCC(=O)C1 120f3ec69c7085e9671b6f57b0fd0a03 [0,1,0,1,0,0|2,0,0]=4 5154 B12R1.225 CC(C(=O)O)N1CCOC(=O)C1 d4dce2ad1b1f137cf844d76ccfb98dc8 [0,1,0,1,0,0|2,0,0]=4 5155 B12R1.225 C[C@@H](C(=O)O)N1CCOC(=O)C1 538a4deebec8ed7722f5010108b9376a [0,1,0,1,0,0|2,0,0]=4 5156 B12R1.225 C[C@H](C(=O)O)N1CCOC(=O)C1 702e24c424b80936a4113f21d0a7e446 [0,1,0,1,0,0|2,0,0]=4 5157 B12R1.264 CC(NCC1=CCCC1)C(=O)O f3202713a0e804ad2b3b52b442204db4 [0,1,0,1,0,0|2,0,0]=4 5158 B12R1.264 C[C@@H](NCC1=CCCC1)C(=O)O 7bd7f637f8a9a157fbd11688b4069a40 [0,1,0,1,0,0|2,0,0]=4 5159 B12R1.264 C[C@H](NCC1=CCCC1)C(=O)O a6c160bcd14d353c39c916bf31776bfe [0,1,0,1,0,0|2,0,0]=4 5160 B12R1.311 CCCC(=O)CN[C@H]1CNC1=O bfa08452e0367febf73ab5198a4856ad [0,1,0,1,0,0|2,0,0]=4 5161 B12R1.311 CCCC(=S)OCC1COC1=O 35268671ae3816bffb31e37eec92be7f [0,1,0,1,0,0|1,1,0]=4 5162 B12R1.824 CCCN1CC(C1)C(C)C(=O)O a1f768c30a919a0dd85b50928dd2c1b6 [0,1,0,1,0,0|2,0,0]=4 5163 B12R1.1127 CCCN1CCC(C1)(C)C(=O)O 4032dd90b0786019bc8498eaa9bffe90 [0,1,0,1,0,0|2,0,0]=4 5164 B12R1.1127 CCCN1CCC(C1)(F)C(=O)O 5b30217b2481250bfe842f5791dd7491 [0,1,0,1,0,0|2,0,0]=4 5165 B12R1.1127 CCCN1CCC(C1)(O)C(=O)O f2ca0c16c16368cea8768715e39af880 [0,1,0,1,0,0|2,0,0]=4 5166 B12R1.1127 CCCN1CC[C@@](C1)(C)C(=O)O f1d6347e4c15baaa240397213aacc191 [0,1,0,1,0,0|2,0,0]=4 5167 B12R1.1127 CCCN1CC[C@](C1)(C)C(=O)O e63b904b454cd5d31485d0de421b4c80 [0,1,0,1,0,0|2,0,0]=4 5168 B12R1.1360 CC(=O)C(C)OCC(=O)C1CC1 45b8de43376c3941e128d279814bcd01 [0,1,0,1,0,0|2,0,0]=4 5169 B12R1.1360 CC(NCC(=O)C1CC1)C(=O)N 47818a199a8e982dce8fdf7ff611f439 [0,1,0,1,0,0|2,0,0]=4 5170 B12R1.1360 CC(NCC(=O)C1CC1)C(=O)O 32099183288563b041fd09623cebd2fb [0,1,0,1,0,0|1,0,0]=3 5171 B12R1.1360 CC(OCC(=O)C1CC1)C(=O)N 67cfae451db0d091d3e892bd5e860371 [0,1,0,1,0,0|2,0,0]=4 5172 B12R1.1360 CC(OCC(=O)C1CC1)C(=O)O 3ece0a2fb682c6e57c612ec8de29cf12 [0,1,0,1,0,0|1,0,0]=3 5173 B12R1.1360 C[C@@H](NCC(=O)C1CC1)C(=O)N a91929bbfe39590b9db105e363da18d1 [0,1,0,1,0,0|2,0,0]=4 5174 B12R1.1360 C[C@@H](NCC(=O)C1CC1)C(=O)O fd005b8ac278eb0a315db381f1795664 [0,1,0,1,0,0|1,0,0]=3 5175 B12R1.1360 C[C@@H](OCC(=O)C1CC1)C(=O)N e70672e27c6775f088d9938ddb5abfe6 [0,1,0,1,0,0|2,0,0]=4 5176 B12R1.1360 C[C@@H](OCC(=O)C1CC1)C(=O)O 1a307998d802327041eadd1088a05f81 [0,1,0,1,0,0|1,0,0]=3 5177 B12R1.1360 C[C@H](NCC(=O)C1CC1)C(=O)N fe429a9881b9ea57c1ceb1187123b6b9 [0,1,0,1,0,0|2,0,0]=4 5178 B12R1.1360 C[C@H](NCC(=O)C1CC1)C(=O)O 398a7b153fa0aaa5cd42bb384655d8ef [0,1,0,1,0,0|1,0,0]=3 5179 B12R1.1360 C[C@H](OCC(=O)C1CC1)C(=O)N 89aecfcf4c5a611fe9d4e059c05aa259 [0,1,0,1,0,0|2,0,0]=4 5180 B12R1.1360 C[C@H](OCC(=O)C1CC1)C(=O)O ba4ddc5a523a63a771d8fb79d1659483 [0,1,0,1,0,0|1,0,0]=3 5181 B12R1.1360 O=C(CNC(O)C(=O)O)C1CC1 d6199a6cf80380c061b60a1bd6e158e2 [0,1,0,1,0,0|1,0,0]=3 5182 B12R1.1582 CCCN(C)C1CC1(C)C(=O)O 012fdd31dbf1b24d8742ea38cb6a0638 [0,1,0,1,0,0|2,0,0]=4 5183 B12R1.19 CN1CCN(CC1=O)CC(=O)O 6b6d11815c98d6449996e9b1781e444b [0,1,0,1,0,0|2,0,0]=4 5184 B12R1.33 CCN(C)C(=O)C1CCC(=O)N1 1e573795824018b8026fe39a5010f763 [0,1,0,1,0,0|2,0,0]=4 5185 B12R1.33 CCN(C)C(=O)C1CCC(=O)O1 9914588da6a56a9e1e3c95983aa05725 [0,1,0,1,0,0|1,0,0]=3 5186 B12R1.33 CCN(C)C(=O)C1CCC(=O)S1 5f4ecd68e30583e485a1c7d05e94b918 [0,1,0,1,0,0|1,1,0]=4 5187 B12R1.33 CCN(C)C(=O)[C@@H]1CCC(=O)N1 5dd13447d63dea7bdb8d43d3f53c7b90 [0,1,0,1,0,0|2,0,0]=4 5188 B12R1.33 CCN(C)C(=O)[C@@H]1CCC(=O)O1 be48f7f8ec11bad4ae69beaf135725fb [0,1,0,1,0,0|1,0,0]=3 5189 B12R1.33 CCN(C)C(=O)[C@H]1CCC(=O)N1 991cb2461c0338bc952357fc6a494f59 [0,1,0,1,0,0|2,0,0]=4 5190 B12R1.33 CCN(C)C(=O)[C@H]1CCC(=O)O1 cfbf56613ad5184adbf000249a4de33f [0,1,0,1,0,0|1,0,0]=3 5191 B12R1.359 CCC(C)N1CCC(C1)C(=O)O 2f8120bb468d98817ab39ff929702d6f [0,1,0,1,0,0|2,0,0]=4 5192 B12R1.359 CCC(C)N1CC[C@@H](C1)C(=O)O 0d6b2cfcd07229f590b44711444ccdef [0,1,0,1,0,0|2,0,0]=4 5193 B12R1.359 CCC(C)N1CC[C@H](C1)C(=O)O 7dea4de91f55c1755a26e824f4477b32 [0,1,0,1,0,0|2,0,0]=4 5194 B12R1.469 CCC(C)N(C)CC1CC(=O)O1 f5bcbe0a8d2db64a086dddeaeb75449b [0,1,0,1,0,0|2,0,0]=4 5195 B12R1.469 CCN(C)C(=O)CC1CC(=O)C1 973169ab1c51ef953df40047eeb08336 [0,1,0,1,0,0|2,0,0]=4 5196 B12R1.870 CN1CCC(C1=O)NCC(=O)O ae29f994cac0be6607db8459ecfd73a4 [0,1,0,1,0,0|2,0,0]=4 5197 B12R1.870 CN1CC[C@@H](C1=O)NCC(=O)O e08109fbce330350b078cb576db40f16 [0,1,0,1,0,0|2,0,0]=4 5198 B12R1.870 CN1CC[C@H](C1=O)NCC(=O)O ae2a3a59a4c86d22188510fd5a7088e2 [0,1,0,1,0,0|2,0,0]=4 5199 B12R1.870 O=C(O)CNC1CCN(C1=O)O 4e4d429a244b3cea2cb5bfbb64782f38 [0,1,0,1,0,0|2,0,0]=4 5200 B12R1.870 O=C(O)CN[C@@H]1CCN(C1=O)O a21d5aa05a85d85f6be44232421b33ec [0,1,0,1,0,0|2,0,0]=4 5201 B12R1.1357 C=C(C)CCCC(=O)N1CCC1 2e2270bb551e51ce98e475749861721e [0,1,0,1,0,0|2,0,0]=4 5202 B12R1.1357 CC(=O)CCCC(=O)N1CCC1 c114df5e084302550cd51e5af7d1add1 [0,1,0,1,0,0|1,0,0]=3 5203 B12R1.1357 CC(=O)CNCC(=O)C1CCC1 256957080234d3364679e66f9e3d5285 [0,1,0,1,0,0|2,0,0]=4 5204 B12R1.1357 CC(=O)CNCC(=O)N1CCC1 a5097242eb876ffbaa5852d7d22491d8 [0,1,0,1,0,0|2,0,0]=4 5205 B12R1.1357 CC(=O)COCC(=O)C1CCC1 b4f9df67fcc1bfee85df523070b428f8 [0,1,0,1,0,0|2,0,0]=4 5206 B12R1.1357 CC(=O)COCC(=O)N1CCC1 ff7140bb36c6c52fa5297dbe455f2bcc [0,1,0,1,0,0|2,0,0]=4 5207 B12R1.1357 CC(=O)NCCC(=O)N1CCC1 5aea5039378250e1d9d439e06320b650 [0,1,0,1,0,0|2,0,0]=4 5208 B12R1.1357 CC(=O)OCCC(=O)N1CCC1 a7a66726ea9ac4f1c4af237026b68992 [0,1,0,1,0,0|2,0,0]=4 5209 B12R1.1357 CC(=O)SCCC(=O)N1CCC1 9ed4adab3f91bfd887cd587c71d0e269 [0,1,0,1,0,0|2,0,0]=4 5210 B12R1.1357 NC(=O)CCCC(=O)N1CCC1 ac961ca2ac7ce90a638a54596d9bda8c [0,1,0,1,0,0|1,0,0]=3 5211 B12R1.1357 NC(=O)CCNC(=O)C1CCO1 851accafb9f3602604561f2f73ed041b [0,1,0,1,0,0|2,0,0]=4 5212 B12R1.1357 NC(=O)CCNC(=O)N1CCC1 20c97a6a04b789ea7f6a04a97426bacb [0,1,0,1,0,0|2,0,0]=4 5213 B12R1.1357 NC(=O)CCNC(=O)[C@@H]1CCO1 34c92af912de076523f55206d9c3b031 [0,1,0,1,0,0|2,0,0]=4 5214 B12R1.1357 NC(=O)CCNC(=O)[C@H]1CCO1 d094f6fb9648fea4f72add8f986c1202 [0,1,0,1,0,0|2,0,0]=4 5215 B12R1.1357 NC(=O)CNCC(=O)C1CCC1 c1362353b5968722b3f9b96d31b19ca0 [0,1,0,1,0,0|2,0,0]=4 5216 B12R1.1357 NC(=O)CNCC(=O)N1CCC1 f81c6fece6f504c60b9f0e7143aa7760 [0,1,0,1,0,0|2,0,0]=4 5217 B12R1.1357 NC(=O)COCC(=O)C1CCC1 be22180bdd31b04134feb5fac3437ec3 [0,1,0,1,0,0|2,0,0]=4 5218 B12R1.1357 NC(=O)COCC(=O)N1CCC1 170f8e94a2d29cef105bdbb3ccafba43 [0,1,0,1,0,0|2,0,0]=4 5219 B12R1.1357 NC(=O)CSCC(=O)N1CCC1 f08b6289156988e19ffd8c47a102caab [0,1,0,1,0,0|2,0,0]=4 5220 B12R1.1357 NC(=O)NCCC(=O)N1CCC1 07f2748144bb4cd3d912c53acc59777a [0,1,0,1,0,0|2,0,0]=4 5221 B12R1.1357 O=C(CCC[N+](=O)[O-])N1CCC1 3b8c77eef193a2ff308e425fb0544809 [0,1,0,1,0,0|1,0,1]=4 5222 B12R1.1357 O=C(COCS(=O)O)C1CCC1 8104fd408c70528f2269de2dfa4e3953 [0,1,0,1,0,0|2,0,0]=4 5223 B12R1.1357 O=C(COCS(=O)O)N1CCC1 129436d4dd009a866ddc43a6b7972ae7 [0,1,0,1,0,0|2,0,0]=4 5224 B12R1.1357 O=C(NCCS(=O)O)C1CCO1 ca1bb0d51dae0866498ad9a21e8d0c60 [0,1,0,1,0,0|2,0,0]=4 5225 B12R1.1357 O=C(NCCS(=O)O)N1CCC1 e2c0fc5b60b9a4fbf7cb635fb49436f6 [0,1,0,1,0,0|2,0,0]=4 5226 B12R1.1357 O=C(NCCS(=O)O)[C@@H]1CCO1 cb7fceed698cd0062a24fce22e683416 [0,1,0,1,0,0|2,0,0]=4 5227 B12R1.1357 O=C(NCCS(=O)O)[C@H]1CCO1 08e582cd6066d5874efe6f13145cf1ef [0,1,0,1,0,0|2,0,0]=4 5228 B12R1.1357 O=C(O)CCNC(=O)N1CCC1 879ff15c147b1c5a29df3f15fa984bd9 [0,1,0,1,0,0|1,0,0]=3 5229 B12R1.1357 O=C(O)CCNC(=S)N1CCC1 29cc9f2dd413985b91f099522b62e0f3 [0,1,0,1,0,0|1,1,0]=4 5230 B12R1.1357 O=C(O)CNCC(=O)C1CCC1 38510da99da9d518133a457a11573daa [0,1,0,1,0,0|1,0,0]=3 5231 B12R1.1357 O=C(O)CNCC(=O)N1CCC1 5af9618fa054a911ed6678f201031ff7 [0,1,0,1,0,0|1,0,0]=3 5232 B12R1.1357 O=C(O)COCC(=O)C1CCC1 d9f02c147229a9382192bed2e2166bbd [0,1,0,1,0,0|1,0,0]=3 5233 B12R1.1357 O=C(O)COCC(=O)N1CCC1 6ca34dc28a17bec89ad10ac536cc5cd4 [0,1,0,1,0,0|1,0,0]=3 5234 B12R1.1358 CC(=O)CNCC(=O)C1(CC1)C 2f986c5d87c22c441cad51b38bc689a2 [0,1,0,1,0,0|2,0,0]=4 5235 B12R1.1358 CC(=O)CNCC(=O)C1(CC1)F d7af9c5b20d44407296c30bce540b7b7 [0,1,0,1,0,0|2,0,0]=4 5236 B12R1.1358 CC(=O)COCC(=O)C1(CC1)C 31c0f305080c90485b63d6d494c8c0ba [0,1,0,1,0,0|2,0,0]=4 5237 B12R1.1358 CC(=O)COCC(=O)C1(CC1)F 06678f9ea4da3d882f366e3e4927f3d9 [0,1,0,1,0,0|2,0,0]=4 5238 B12R1.1358 CC1(CC1)C(=O)CNCC(=O)N 74989cb091d924b6abac2c8f816dafc7 [0,1,0,1,0,0|2,0,0]=4 5239 B12R1.1358 CC1(CC1)C(=O)CNCC(=O)O 56bfa5397a6818cad82e6e8d154c3835 [0,1,0,1,0,0|1,0,0]=3 5240 B12R1.1358 CC1(CC1)C(=O)COCC(=O)N 89c74edc6467a5295605067d12dc3eae [0,1,0,1,0,0|2,0,0]=4 5241 B12R1.1358 CC1(CC1)C(=O)COCC(=O)O 133acfb09b1b9b2f809f272e9c4b5bcc [0,1,0,1,0,0|1,0,0]=3 5242 B12R1.1358 CC1(CC1)C(=O)COCS(=O)O 5b21829407ad8137aa0f7eddfb1497e9 [0,1,0,1,0,0|2,0,0]=4 5243 B12R1.1358 NC(=O)CNCC(=O)C1(CC1)F 3230e757a63ad32759cb0613599da929 [0,1,0,1,0,0|2,0,0]=4 5244 B12R1.1358 NC(=O)COCC(=O)C1(CC1)F 62e5cdd845137e399feabd94dccd3e41 [0,1,0,1,0,0|2,0,0]=4 5245 B12R1.1358 O=C(COCS(=O)O)C1(CC1)F dd2ef5244705e5407de52b4e56af40a6 [0,1,0,1,0,0|2,0,0]=4 5246 B12R1.1358 O=C(O)CNCC(=O)C1(CC1)F b478086772322528982c42ecc8555866 [0,1,0,1,0,0|1,0,0]=3 5247 B12R1.1358 O=C(O)COCC(=O)C1(CC1)F 6681e0d51b4700554de2378a8b4b21bb [0,1,0,1,0,0|1,0,0]=3 5248 B12R1.1658 C#CC(=O)N1CCCC(=O)CC1 a6c7601f44cb8423450534e0e6332a99 [0,1,0,1,0,0|2,0,0]=4 5249 B12R1.1658 C=CC(=O)N1CCCC(=O)CC1 a2812cfbd5711200a1c0c4390890d0d1 [0,1,0,1,0,0|2,0,0]=4 5250 B12R1.1658 CCC(=O)N1CCCC(=O)CC1 7299202780f94174bc4378bee8e0a0b6 [0,1,0,1,0,0|2,0,0]=4 5251 B12R1.1658 O=C1CCCN(CC1)C(=O)CF 234c237680390a3d36a80eb6b6f71fbc [0,1,0,1,0,0|2,0,0]=4 5252 B12R1.1658 O=C1CCCN(CC1)C(=O)CO 8b30a5e6a25085d6df405d6534399ad0 [0,1,0,1,0,0|1,0,0]=3 5253 B12R1.1658 O=C1CCCN(CC1)C(=O)CS 7e469c1b555bc00491e3fc0a4dc2c97c [0,1,0,1,0,0|1,1,0]=4 5254 B12R1.1658 O=C1CCN(CCN1)C(=O)CO 5426552159605bbafa19e8290cb33891 [0,1,0,1,0,0|2,0,0]=4 5255 B12R1.1658 O=CC(=O)N1CCCC(=O)CC1 2b8a868eec32002fc1ecd8b042596a81 [0,1,0,1,0,0|1,0,1]=4 5256 B12R1.1663 CCC(C)N1CC(C1)CC(=O)O 4679757f9764c1cb25e13d9c058c55c8 [0,1,0,1,0,0|2,0,0]=4 5257 B12R1.2070 CCC(C)N(C)[C@@H]1C[C@@H]1C(=O)O 7439cd297c647a45e017d54683892dbb [0,1,0,1,0,0|2,0,0]=4 5258 B12R1.2070 CCC(C)N(C)[C@H]1C[C@@H]1C(=O)O 88c840a424f262098ee1ee191526b7c7 [0,1,0,1,0,0|2,0,0]=4 5259 B12R1.2070 CCC(C)N(C)[C@H]1C[C@H]1C(=O)O c68d39e363f72f3c1ee73d96c202f76d [0,1,0,1,0,0|2,0,0]=4 5260 B12R1.29 C#CCNC(=O)C1CCC(=O)O1 e19ac3a30e198c99b4fcadd3a88ef823 [0,1,0,1,0,0|0,0,2]=4 5261 B12R1.29 C#CCNC(=O)[C@@H]1CCC(=O)O1 5cf0ecc3221695d26cfcab537666a868 [0,1,0,1,0,0|0,0,2]=4 5262 B12R1.29 C#CCNC(=O)[C@H]1CCC(=O)O1 a43a2523ce88714612951e64ee1d5bbf [0,1,0,1,0,0|0,0,2]=4 5263 B12R1.29 CCCNC(=O)C1=CC(=O)CC1 2da574a03df6e4da313604aa333ab64e [0,1,0,1,0,0|1,0,1]=4 5264 B12R1.29 CCCNC(=O)C1CC(=O)CO1 4f859677eb7d600ed91f3ffe73092a05 [0,1,0,1,0,0|2,0,0]=4 5265 B12R1.29 CCCNC(=O)C1CCC(=O)N1 fd0814c82e50431d0e094fedab7f8f0d [0,1,0,1,0,0|1,0,0]=3 5266 B12R1.29 CCCNC(=O)C1CCC(=O)O1 824c9cc6b3b56411e1bec333a816416f [0,1,0,1,0,0|0,0,0]=2 5267 B12R1.29 CCCNC(=O)C1CCC(=O)S1 199f731613b3045403248c7ef600dbf6 [0,1,0,1,0,0|0,1,0]=3 5268 B12R1.29 CCCNC(=O)C1CCC(O1)C 90ec765d72a726007bc179abb84be4fe [0,1,0,1,0,0|1,0,1]=4 5269 B12R1.29 CCCNC(=O)C1CNC(=O)N1 bc6c71457d8c7e8ccc3471422f61b037 [0,1,0,1,0,0|2,0,0]=4 5270 B12R1.29 CCCNC(=O)C1CSC(=O)N1 f95230ec5e0c89dfefaec6b54386b45a [0,1,0,1,0,0|2,0,0]=4 5271 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)N1 8bda56072652aebe62983d14d4f213c9 [0,1,0,1,0,0|1,0,0]=3 5272 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 abeb958f01fa3f5ecf1d06eb6583f447 [0,1,0,1,0,0|0,0,0]=2 5273 B12R1.29 CCCNC(=O)[C@@H]1CNC(=O)N1 05b888ccf2ca0ce01ae7835f8fa1145a [0,1,0,1,0,0|2,0,0]=4 5274 B12R1.29 CCCNC(=O)[C@@H]1CSC(=O)N1 f2ec76d2c57bb6da00ecd4840e4dbae4 [0,1,0,1,0,0|2,0,0]=4 5275 B12R1.29 CCCNC(=O)[C@H]1CCC(=O)N1 f79f9e308d6baf22e1470f9d09a9d4b6 [0,1,0,1,0,0|1,0,0]=3 5276 B12R1.29 CCCNC(=O)[C@H]1CCC(=O)O1 8c7682e75ec0542f97415788c40daa5d [0,1,0,1,0,0|0,0,0]=2 5277 B12R1.29 CCCNC(=O)[C@H]1CC[C@H](O1)C 47266b8d96ca902d9ae519cf91837304 [0,1,0,1,0,0|1,0,1]=4 5278 B12R1.29 CCCNC(=O)[C@H]1CNC(=O)N1 997a3c1a6f24b0fb70119151b8e8205b [0,1,0,1,0,0|2,0,0]=4 5279 B12R1.29 N#CCNC(=O)C1CCC(=O)O1 542863ff059997177f8610072ffc2666 [0,1,0,1,0,0|1,0,1]=4 5280 B12R1.29 N#CCNC(=O)[C@@H]1CCC(=O)O1 6e52dfaefb0c1762928fec0285148e35 [0,1,0,1,0,0|1,0,1]=4 5281 B12R1.29 N#CCNC(=O)[C@H]1CCC(=O)O1 d799964549eee385099cc752b6ab1ea5 [0,1,0,1,0,0|1,0,1]=4 5282 B12R1.29 O=C1CCC(N1)C(=O)NCCBr 094b8a2f2d0b1355017269be56a0fd90 [0,1,0,1,0,0|2,0,0]=4 5283 B12R1.29 O=C1CCC(N1)C(=O)NCCF 80ba65fdd463ecf0bfbc829ad15841d2 [0,1,0,1,0,0|2,0,0]=4 5284 B12R1.29 O=C1CCC(N1)C(=O)NCCI 48488b136a42fe371ab5d8b5c3c00565 [0,1,0,1,0,0|2,0,0]=4 5285 B12R1.29 O=C1CCC(N1)C(=O)NCCO 8bf9b191f08f7c2ef16691ff8c552ace [0,1,0,1,0,0|2,0,0]=4 5286 B12R1.29 O=C1CCC(N1)C(=O)NCCS 08f4c30d15cbd9646cb9c2c3c6985d92 [0,1,0,1,0,0|2,0,0]=4 5287 B12R1.29 O=C1CCC(O1)C(=O)NCCBr 6219bf6a9ab08ff965b18710c39328b4 [0,1,0,1,0,0|1,0,0]=3 5288 B12R1.29 O=C1CCC(O1)C(=O)NCCF 2a3c1b09e88bdcf425c25de54ed3f3df [0,1,0,1,0,0|1,0,0]=3 5289 B12R1.29 O=C1CCC(O1)C(=O)NCCI 4da1afd5ecd229bddf8b937616395452 [0,1,0,1,0,0|1,0,0]=3 5290 B12R1.29 O=C1CCC(O1)C(=O)NCCO 2a6825f9a167b1e4803c82d1aca941b3 [0,1,0,1,0,0|1,0,0]=3 5291 B12R1.29 O=C1CCC(O1)C(=O)NCCS d55a7f966e0ad0406073129037f3ef7c [0,1,0,1,0,0|1,0,0]=3 5292 B12R1.29 O=C1CCC(S1)C(=O)NCCBr eea8508becb31bfe3a1eea00b40e620f [0,1,0,1,0,0|1,1,0]=4 5293 B12R1.29 O=C1CCC(S1)C(=O)NCCF 68e270db31be1bcb2ad488dd237000da [0,1,0,1,0,0|1,1,0]=4 5294 B12R1.29 O=C1CCC(S1)C(=O)NCCI 3bf3e84324c8c05a042af30eb87715a6 [0,1,0,1,0,0|1,1,0]=4 5295 B12R1.29 O=C1CCC(S1)C(=O)NCCO 829e6c7c76ada0a34071057b9e2a1afb [0,1,0,1,0,0|1,1,0]=4 5296 B12R1.29 O=C1CCC(S1)C(=O)NCCS 04cb15f4809295346cb4e5c922a6f7f0 [0,1,0,1,0,0|1,1,0]=4 5297 B12R1.29 O=C1CC[C@@H](N1)C(=O)NCCBr 0863a07b090cc5e96f32e4aa21f1a2ba [0,1,0,1,0,0|2,0,0]=4 5298 B12R1.29 O=C1CC[C@@H](N1)C(=O)NCCF 867c821fa445e1aaaa4f239d990a5d75 [0,1,0,1,0,0|2,0,0]=4 5299 B12R1.29 O=C1CC[C@@H](N1)C(=O)NCCI bd9a43749e2747324c0d6d1db0a887f9 [0,1,0,1,0,0|2,0,0]=4 5300 B12R1.29 O=C1CC[C@@H](N1)C(=O)NCCO 3624520e3fe4ab5f8fdabaefd5a8ca86 [0,1,0,1,0,0|2,0,0]=4 5301 B12R1.29 O=C1CC[C@@H](N1)C(=O)NCCS a66b4cc8cf6398f4d2dd112f27088fc9 [0,1,0,1,0,0|2,0,0]=4 5302 B12R1.29 O=C1CC[C@@H](O1)C(=O)NCCBr 7e248ac48cc5ccad41b815a876129fcf [0,1,0,1,0,0|1,0,0]=3 5303 B12R1.29 O=C1CC[C@@H](O1)C(=O)NCCF 49e013d9991129b21d42562794493e43 [0,1,0,1,0,0|1,0,0]=3 5304 B12R1.29 O=C1CC[C@@H](O1)C(=O)NCCI e1a8a24d4c036a5a058df132a16f303c [0,1,0,1,0,0|1,0,0]=3 5305 B12R1.29 O=C1CC[C@@H](O1)C(=O)NCCO 6d1fecc4130704585e40e7e4869c978d [0,1,0,1,0,0|1,0,0]=3 5306 B12R1.29 O=C1CC[C@@H](O1)C(=O)NCCS b5b214215927353327654a4c114f58da [0,1,0,1,0,0|1,0,0]=3 5307 B12R1.29 O=C1CC[C@H](N1)C(=O)NCCBr 067f4ed54364b625f28c41270b1cc37d [0,1,0,1,0,0|2,0,0]=4 5308 B12R1.29 O=C1CC[C@H](N1)C(=O)NCCF 98704cebb0a614eaa8d55054f5ea8d06 [0,1,0,1,0,0|2,0,0]=4 5309 B12R1.29 O=C1CC[C@H](N1)C(=O)NCCI 4a1a8a6cabf376011923d2f34a9ea5fa [0,1,0,1,0,0|2,0,0]=4 5310 B12R1.29 O=C1CC[C@H](N1)C(=O)NCCO 8f79d41b9870a06b7d3f924769bc3554 [0,1,0,1,0,0|2,0,0]=4 5311 B12R1.29 O=C1CC[C@H](N1)C(=O)NCCS 66406cd5afb5dc3c9be1bbf45951e139 [0,1,0,1,0,0|2,0,0]=4 5312 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCBr 0f87edad133747c34db13633acf6c224 [0,1,0,1,0,0|1,0,0]=3 5313 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 67b79bf1f308fa13b61a80ca2098f620 [0,1,0,1,0,0|1,0,0]=3 5314 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCI 25e2d4ed352c3063902a293e4efb5add [0,1,0,1,0,0|1,0,0]=3 5315 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCO cfe0322a63d9753f2c9ebdcbcc748670 [0,1,0,1,0,0|1,0,0]=3 5316 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCS f493430e7cbc5341c9cd5b854f19f36b [0,1,0,1,0,0|1,0,0]=3 5317 B12R1.57 CC(=O)N1CCC(=O)CC1CO d176fa73e5ead9afb0ba9132f1254175 [0,1,0,1,0,0|2,0,0]=4 5318 B12R1.57 CCN1CC(=O)NCC1C(=O)O 9270d8b217c4d44e54c01a9d3e760f0a [0,1,0,1,0,0|1,0,0]=3 5319 B12R1.57 CCN1CC(=O)NC[C@@H]1C(=O)O 55974acbf17044a2354e18da640abbfd [0,1,0,1,0,0|1,0,0]=3 5320 B12R1.57 CCN1CC(=O)NC[C@H]1C(=O)O 9c748354044763cd829b9850df0e929d [0,1,0,1,0,0|1,0,0]=3 5321 B12R1.57 CCN1CC(CCC1C(=O)O)O 7558c4addead6821b1ba6c2a3a9a9203 [0,1,0,1,0,0|0,0,2]=4 5322 B12R1.57 CCN1C[C@H](CC[C@H]1C(=O)O)O 75e85c77fe20518cf0ef64a4ee6764e7 [0,1,0,1,0,0|0,0,2]=4 5323 B12R1.57 O=C1CN(C(CN1)C(=O)O)CF 2535633bd0613099577b97a163dbc080 [0,1,0,1,0,0|2,0,0]=4 5324 B12R1.57 O=C1CN(C(CN1)C(=O)O)CO 4977d843ddc381083665a1e6cd1c5ea0 [0,1,0,1,0,0|2,0,0]=4 5325 B12R1.57 O=C1CN([C@@H](CN1)C(=O)O)CF 98b814e3595cadc8696f386b94cb47ee [0,1,0,1,0,0|2,0,0]=4 5326 B12R1.57 O=C1CN([C@@H](CN1)C(=O)O)CO b192b3682be26bfc4cb1339785a1f59d [0,1,0,1,0,0|2,0,0]=4 5327 B12R1.57 O=C1CN([C@H](CN1)C(=O)O)CF 0d9d77af5f985b456611c9f77c44bfdd [0,1,0,1,0,0|2,0,0]=4 5328 B12R1.57 O=C1CN([C@H](CN1)C(=O)O)CO 8c4a8efe590c27725651b71a3b5f6476 [0,1,0,1,0,0|2,0,0]=4 5329 B12R1.127 CC1CNC(=O)CN1CC(=O)N 096c7bcfd847523fa35926663d788eba [0,1,0,1,0,0|2,0,0]=4 5330 B12R1.127 CC1CNC(=O)CN1CC(=O)O b01e027fbfd8224e8f995ff3cf5f647b [0,1,0,1,0,0|1,0,0]=3 5331 B12R1.127 C[C@@H]1CNC(=O)CN1CC(=O)N 27e011fcabb48e3a8e82e5fc16b6b3bf [0,1,0,1,0,0|2,0,0]=4 5332 B12R1.127 C[C@@H]1CNC(=O)CN1CC(=O)O 4a44304bcefe9e10cfe24907cb7dc209 [0,1,0,1,0,0|1,0,0]=3 5333 B12R1.127 C[C@H]1CNC(=O)CN1CC(=O)N 09b003b83d8794c33dec61873f25c476 [0,1,0,1,0,0|2,0,0]=4 5334 B12R1.127 C[C@H]1CNC(=O)CN1CC(=O)O 9df003b6d5088300702a0cebb2c932ad [0,1,0,1,0,0|1,0,0]=3 5335 B12R1.332 CCCCN1CC(C1)CC(=O)O 4421a6cc76f99c7a1f374613ad8b3990 [0,1,0,1,0,0|2,0,0]=4 5336 B12R1.332 CCCNC1CC(C1)CC(=O)O 6e781162a4a2bbbc8680c2798c054b4d [0,1,0,1,0,0|1,0,1]=4 5337 B12R1.332 CCCO[C@H]1C[C@@H](C1)CC(=O)O 6d83a3447e97c2205f18842ab78defd9 [0,1,0,1,0,0|1,0,1]=4 5338 B12R1.332 CCCO[C@H]1C[C@H](C1)CC(=O)O 2dfdf1ac25c37b5b23de5b7a1fa2acd0 [0,1,0,1,0,0|1,0,1]=4 5339 B12R1.332 CCOCN1CC(C1)CC(=O)O fd8bc99117e7b53304ae8cbabb4ff757 [0,1,0,1,0,0|2,0,0]=4 5340 B12R1.332 COCCN1CC(C1)CC(=O)O 14b5d2da5fa8bd1bc207191a33b553c7 [0,1,0,1,0,0|2,0,0]=4 5341 B12R1.332 CSCCN1CC(C1)CC(=O)O 667c3afcfe005722280876c2d9561be5 [0,1,0,1,0,0|2,0,0]=4 5342 B12R1.332 O=C(O)CC1CN(C1)CCCF 799e65b977fb21da40bf96ae7e944496 [0,1,0,1,0,0|2,0,0]=4 5343 B12R1.332 O=C(O)CC1CN(C1)CCCO bd2b3a398ea3544a08dd4030f8cb5b12 [0,1,0,1,0,0|2,0,0]=4 5344 B12R1.332 O=C(O)CC1CN(C1)CCCS 45e177d36fa0ae40868216b6b3148a98 [0,1,0,1,0,0|2,0,0]=4 5345 B12R1.337 CCCCN1CCC(C1)C(=O)O 3afcc50f0aaf4d802d2793b5b0c7c8c0 [0,1,0,1,0,0|2,0,0]=4 5346 B12R1.337 CCCCN1CC[C@@H](C1)C(=O)O d79d92571a6dc985c1cb4d78775328ff [0,1,0,1,0,0|2,0,0]=4 5347 B12R1.337 CCCCN1CC[C@H](C1)C(=O)O 5fb11fdee7dcb81180f6e6358afb4552 [0,1,0,1,0,0|2,0,0]=4 5348 B12R1.337 CCCNC1CCC(C1)C(=O)O 1c3cd983ddea72daf3775f446596ee57 [0,1,0,1,0,0|1,0,1]=4 5349 B12R1.337 CCCN[C@@H]1CC[C@@H](C1)C(=O)O 61a9b1ef55771b3345b8b5185c519127 [0,1,0,1,0,0|1,0,1]=4 5350 B12R1.337 CCCN[C@@H]1CC[C@H](C1)C(=O)O 2a2831edac705f23e77fb13feae74fa9 [0,1,0,1,0,0|1,0,1]=4 5351 B12R1.337 CCCN[C@H]1CC[C@@H](C1)C(=O)O 94e68f9109e643d064becb76d2a7278e [0,1,0,1,0,0|1,0,1]=4 5352 B12R1.337 CCCN[C@H]1CC[C@H](C1)C(=O)O e45dda128b86fdfe870d18a748e352f9 [0,1,0,1,0,0|1,0,1]=4 5353 B12R1.337 CCCOC1CCC(C1)C(=O)O 0fefc81384b571c5b81a2860d7bc4e0a [0,1,0,1,0,0|1,0,1]=4 5354 B12R1.337 CCCO[C@@H]1CC[C@@H](C1)C(=O)O 2d4993b81ac533ea2478b977b90306e5 [0,1,0,1,0,0|1,0,1]=4 5355 B12R1.337 CCCO[C@@H]1CC[C@H](C1)C(=O)O 6320e6a18e599df247350f58d46d8386 [0,1,0,1,0,0|1,0,1]=4 5356 B12R1.337 CCCO[C@H]1CC[C@@H](C1)C(=O)O 44f691668d7ee393d66d36e90a206801 [0,1,0,1,0,0|1,0,1]=4 5357 B12R1.337 CCCO[C@H]1CC[C@H](C1)C(=O)O b905e9b99a890d52dfe8a46311887a98 [0,1,0,1,0,0|1,0,1]=4 5358 B12R1.337 CCOCN1CCC(C1)C(=O)O 2ca9a5de873be60947bcc1022286ab61 [0,1,0,1,0,0|2,0,0]=4 5359 B12R1.337 CCOCN1CC[C@@H](C1)C(=O)O d0d28305eb4f3404ca16b00fb0768267 [0,1,0,1,0,0|2,0,0]=4 5360 B12R1.337 CCOCN1CC[C@H](C1)C(=O)O d5f3899e2658537bdd049239fce765f0 [0,1,0,1,0,0|2,0,0]=4 5361 B12R1.337 COCCN1CCC(C1)C(=O)O 5b3b41326a77fc99f0ab9f001a38be50 [0,1,0,1,0,0|2,0,0]=4 5362 B12R1.337 COCCN1CC[C@@H](C1)C(=O)O 1ac3a976970f2f9e0e584f1c031b5b0e [0,1,0,1,0,0|2,0,0]=4 5363 B12R1.337 COCCN1CC[C@H](C1)C(=O)O 4d465c6dbbd84e45c45d0631b1edcd6b [0,1,0,1,0,0|2,0,0]=4 5364 B12R1.337 CSCCN1CCC(C1)C(=O)O deb359703519856962c8d90bed1c8738 [0,1,0,1,0,0|2,0,0]=4 5365 B12R1.337 CSCCN1CC[C@@H](C1)C(=O)O 4199a9ec02970322aaadb96074ac7e5d [0,1,0,1,0,0|2,0,0]=4 5366 B12R1.337 CSCCN1CC[C@H](C1)C(=O)O 916ad8fc7b6b52cc858a49eee2d5cdd9 [0,1,0,1,0,0|2,0,0]=4 5367 B12R1.337 O=C(O)C1CCN(C1)CCCF 20dd2c9bb2470c06123703f5d75a781d [0,1,0,1,0,0|2,0,0]=4 5368 B12R1.337 O=C(O)C1CCN(C1)CCCO 24b3fbf9b7a03b1c1252cae9dd5d45e8 [0,1,0,1,0,0|2,0,0]=4 5369 B12R1.337 O=C(O)C1CCN(C1)CCCS 5e97d79cf46037a964b0317cf5346903 [0,1,0,1,0,0|2,0,0]=4 5370 B12R1.337 O=C(O)[C@@H]1CCN(C1)CCCF 3383251618d5d6f7b626c3755f31bbd9 [0,1,0,1,0,0|2,0,0]=4 5371 B12R1.337 O=C(O)[C@@H]1CCN(C1)CCCO e5cabb596d7bc20cb6ab91e757931bd6 [0,1,0,1,0,0|2,0,0]=4 5372 B12R1.337 O=C(O)[C@@H]1CCN(C1)CCCS bbd32b56162f067d8af70e975d3e40e3 [0,1,0,1,0,0|2,0,0]=4 5373 B12R1.337 O=C(O)[C@H]1CCN(C1)CCCF 93ebaeeb456b67419febe874da80f4d8 [0,1,0,1,0,0|2,0,0]=4 5374 B12R1.337 O=C(O)[C@H]1CCN(C1)CCCO f4a1ecca7f4775305034a26fabf1c6f3 [0,1,0,1,0,0|2,0,0]=4 5375 B12R1.337 O=C(O)[C@H]1CCN(C1)CCCS d56b802502b085f053db84ea3b895a04 [0,1,0,1,0,0|2,0,0]=4 5376 B12R1.430 CCC1CN(C1)CCCC(=O)O 9ff38171d24ebb7a743a11b2743d31ef [0,1,0,1,0,0|2,0,0]=4 5377 B12R1.430 COC1CN(C1)CCCC(=O)O 61862a573022357af23e28196a349648 [0,1,0,1,0,0|2,0,0]=4 5378 B12R1.430 CSC1CN(C1)CCCC(=O)O 8d7730964230ffb2870a2117402da680 [0,1,0,1,0,0|2,0,0]=4 5379 B12R1.430 O=C(O)CCCN1CC(C1)CF 548e5b2472363bf633f9d2b00a77c435 [0,1,0,1,0,0|2,0,0]=4 5380 B12R1.430 O=C(O)CCCN1CC(C1)CO 24190edcf79a69030f380884d2bd2c6e [0,1,0,1,0,0|2,0,0]=4 5381 B12R1.462 CCCCN(C)CC1CC(=O)O1 d9a98c1f3d9126170f4102fb92690f7b [0,1,0,1,0,0|2,0,0]=4 5382 B12R1.462 CCCNC(=O)CC1CC(=O)C1 9f83bed3f09de9cbd786beb27ff17a78 [0,1,0,1,0,0|1,0,0]=3 5383 B12R1.462 CCCNC(=O)C[C@H]1C[C@@H](C1)O 38920259f365d12e32d1415322f9194d [0,1,0,1,0,0|1,0,1]=4 5384 B12R1.462 CCCNC(=O)C[C@H]1C[C@H](C1)O b0381dceb3f056ec8083a4aa306b9774 [0,1,0,1,0,0|1,0,1]=4 5385 B12R1.462 CN(CCCO)CC1CC(=O)O1 fee81b742b386603fbc33ac133f86dbc [0,1,0,1,0,0|2,0,0]=4 5386 B12R1.462 COCCN(C)CC1CC(=O)O1 ccbd11d2ec95ab9adf37f05889415a01 [0,1,0,1,0,0|2,0,0]=4 5387 B12R1.462 CSCCN(C)CC1CC(=O)O1 918f9654f4019ed0f18ef6e693ec3a11 [0,1,0,1,0,0|2,0,0]=4 5388 B12R1.462 O=C1CC(C1)CC(=O)NCCBr fcad8c0eead75e5e2b9ee3688556be1b [0,1,0,1,0,0|2,0,0]=4 5389 B12R1.462 O=C1CC(C1)CC(=O)NCCF 4ce155401b92a79c79e0ef2ba42a3c91 [0,1,0,1,0,0|2,0,0]=4 5390 B12R1.462 O=C1CC(C1)CC(=O)NCCI 4e399cc5efcb44d86de4c82567cf9dbc [0,1,0,1,0,0|2,0,0]=4 5391 B12R1.462 O=C1CC(C1)CC(=O)NCCO ffab815c2df4ef24bf513820175b3451 [0,1,0,1,0,0|2,0,0]=4 5392 B12R1.462 O=C1CC(C1)CC(=O)NCCS 826b7e160a70285e93058f4065e4d99b [0,1,0,1,0,0|2,0,0]=4 5393 B12R1.895 CC1=C(C(=O)CC1)OCC(=O)O a222c6be08d75f69233f8a8db8666230 [0,1,0,1,0,0|1,0,1]=4 5394 B12R1.895 O=C(O)CNC1C(=O)CCC1=O 7b6390b51b1aa46d6b89afc5fb71685b [0,1,0,1,0,0|1,0,1]=4 5395 B12R1.895 O=C(O)CN[C@@H]1C(=O)NC[C@H]1O 3a3d5b11778f2957244409dc45903ede [0,1,0,1,0,0|2,0,0]=4 5396 B12R1.2019 CCCCN(C)[C@@H]1C[C@@H]1C(=O)O c6e3a6046ff4a8993f885fca678ef6b0 [0,1,0,1,0,0|2,0,0]=4 5397 B12R1.2019 CCCCN(C)[C@H]1C[C@@H]1C(=O)O bb459f233091bf655095416e5c83d779 [0,1,0,1,0,0|2,0,0]=4 5398 B12R1.2019 CCCCN(C)[C@H]1C[C@H]1C(=O)O b2f59a89a103033ab0a249d1d405d351 [0,1,0,1,0,0|2,0,0]=4 5399 B12R1.2019 CN(CCCO)[C@@H]1C[C@@H]1C(=O)O 8cdbc627ac3231986f2925b0f84e442d [0,1,0,1,0,0|2,0,0]=4 5400 B12R1.2019 CN(CCCO)[C@H]1C[C@@H]1C(=O)O 00448ca43c33c3b066aa6623fb130c50 [0,1,0,1,0,0|2,0,0]=4 5401 B12R1.2019 CN(CCCO)[C@H]1C[C@H]1C(=O)O 43a02f845c76d1a78b89e6ee1fe9e51e [0,1,0,1,0,0|2,0,0]=4 5402 B12R1.2019 COCCN(C)[C@@H]1C[C@@H]1C(=O)O e4e38b75e0a92060dd65ffd07337119c [0,1,0,1,0,0|2,0,0]=4 5403 B12R1.2019 COCCN(C)[C@H]1C[C@@H]1C(=O)O b24bfc3606ca88eaf9922f523a28a4ec [0,1,0,1,0,0|2,0,0]=4 5404 B12R1.2019 COCCN(C)[C@H]1C[C@H]1C(=O)O 80fc828cd5c3a5c096645b67a68bb932 [0,1,0,1,0,0|2,0,0]=4 5405 B12R1.2019 CSCCN(C)[C@@H]1C[C@@H]1C(=O)O 7c8604df4bf73be50d43ab04687e58ae [0,1,0,1,0,0|2,0,0]=4 5406 B12R1.2019 CSCCN(C)[C@H]1C[C@@H]1C(=O)O b010a21b838c6c16936f1ca2705c7474 [0,1,0,1,0,0|2,0,0]=4 5407 B12R1.2019 CSCCN(C)[C@H]1C[C@H]1C(=O)O 00abfc3fc4ff968b7fc3d15e7604bb3a [0,1,0,1,0,0|2,0,0]=4 5408 B12R1.50 C=C(C=O)OC1CCCC(=O)C1 e509778985af5a08e843ac3d11ebad36 [0,1,0,1,0,0|2,0,0]=4 5409 B12R1.50 C=C(CN1CCCC(=O)C1)OC 325c27c87f2d24113cf74c6f613ae6ca [0,1,0,1,0,0|2,0,0]=4 5410 B12R1.50 C=C(CO)CN1CCCC(=O)C1 2305e67bcbe915ad07e381c2e127a42c [0,1,0,1,0,0|2,0,0]=4 5411 B12R1.50 CCC(=O)CN1CCCC(=O)C1 87638a9791f8b8ede1f51b3226e85680 [0,1,0,1,0,0|2,0,0]=4 5412 B12R1.50 CNC(=O)CN1CCCC(=O)C1 de30ae1b02cc4144826d1664d20711f3 [0,1,0,1,0,0|2,0,0]=4 5413 B12R1.50 COC(=O)CN1CCCC(=O)C1 99251c2d2550156eb2098ee586db7941 [0,1,0,1,0,0|1,0,0]=3 5414 B12R1.50 COC(=O)CN1CCNC(=O)C1 19c15f2a55bffa929193a75edadb233e [0,1,0,1,0,0|2,0,0]=4 5415 B12R1.50 COC(=O)CN1CCOC(=O)C1 a99ca1b814f769024465d929a215f82c [0,1,0,1,0,0|2,0,0]=4 5416 B12R1.50 O=C(CO)CN1CCCC(=O)C1 800c91d340eba67a029d91435d985ba9 [0,1,0,1,0,0|1,0,0]=3 5417 B12R1.50 O=C(CO)CN1CCNC(=O)C1 6fc8000fe5eeb829276bef22be8ac63f [0,1,0,1,0,0|2,0,0]=4 5418 B12R1.50 O=C(CO)CN1CCOC(=O)C1 6c9512dac2b8622f31b8f7ac0e8f79e9 [0,1,0,1,0,0|2,0,0]=4 5419 B12R1.50 O=C1CC(CCN1)NC(=O)CO daf34bd10005af2c93a04b831807a327 [0,1,0,1,0,0|2,0,0]=4 5420 B12R1.50 O=C1C[C@@H](CCN1)NC(=O)CO f76ddc07149c0d7aa09e8125db755cb0 [0,1,0,1,0,0|2,0,0]=4 5421 B12R1.50 O=C1C[C@H](CCN1)NC(=O)CO a17ead97b29f6473965c629102695b03 [0,1,0,1,0,0|2,0,0]=4 5422 B12R1.179 CCCN1CCC(C1)C(=O)OC 930567863a187303b6c1ce6fcaf7d433 [0,1,0,1,0,0|2,0,0]=4 5423 B12R1.179 CCCN1CC[C@@H](C1)C(=O)OC 8e76a8fb9e7a0047e12e29680820f491 [0,1,0,1,0,0|2,0,0]=4 5424 B12R1.179 CCCN1CC[C@H](C1)C(=O)OC c782c8a68b9cfbcd856de6d2221bba07 [0,1,0,1,0,0|2,0,0]=4 5425 B12R1.353 C=C(COC1CCCC1=O)OC ec80f822fa26bc4d672611c326e680c4 [0,1,0,1,0,0|2,0,0]=4 5426 B12R1.353 CCC(=O)COC1CCCC1=O 779788e35e5153299dea538d141dfd11 [0,1,0,1,0,0|2,0,0]=4 5427 B12R1.353 CNC(=O)CNC1CCCC1=O d69ef94556f7c52713ca850c57aebf35 [0,1,0,1,0,0|2,0,0]=4 5428 B12R1.353 CNC(=O)COC1CCCC1=O 199d1174f45dac8d23168f260fab13ae [0,1,0,1,0,0|2,0,0]=4 5429 B12R1.353 COC(=O)CNC1CCNC1=O 8dc65eb41a891f47305d34c885a760b4 [0,1,0,1,0,0|2,0,0]=4 5430 B12R1.353 COC(=O)CNC1CCSC1=O 1c6cb7c03f4bf62e33033fdfa85151bb [0,1,0,1,0,0|2,0,0]=4 5431 B12R1.353 COC(=O)CN[C@@H]1CCNC1=O 8db764f73aa18714ca6df4644726c0ee [0,1,0,1,0,0|2,0,0]=4 5432 B12R1.353 COC(=O)CN[C@@H]1CCOC1=O 3e549482be4aafc1135e5881ef670635 [0,1,0,1,0,0|2,0,0]=4 5433 B12R1.353 COC(=O)CN[C@H]1CCNC1=O e480c8df1bd7a732257f2e69c26ab4b8 [0,1,0,1,0,0|2,0,0]=4 5434 B12R1.353 COC(=O)CN[C@H]1CCOC1=O aca6c04a5efbddfcfb8821cb66529341 [0,1,0,1,0,0|2,0,0]=4 5435 B12R1.353 COC(=O)COC1CCCC1=O 0afbb45bb6d5d583bfd173ff486ef02e [0,1,0,1,0,0|1,0,0]=3 5436 B12R1.353 COC(=O)COC1CCNC1=O 230f73dfe6eaf16c513ba2d241ee0057 [0,1,0,1,0,0|2,0,0]=4 5437 B12R1.353 COC(=O)COC1CCOC1=O d11073e6fbfe416748c950fcb9604a46 [0,1,0,1,0,0|2,0,0]=4 5438 B12R1.353 COC(=O)CO[C@@H]1CCNC1=O b27ff34372ab6333f82dff39b353e2df [0,1,0,1,0,0|2,0,0]=4 5439 B12R1.353 COC(=O)CO[C@@H]1CCOC1=O 218071863024a88b117c05f9ad070451 [0,1,0,1,0,0|2,0,0]=4 5440 B12R1.353 COC(=O)CO[C@H]1CCNC1=O f318a0ddc9855e31ccfe7127a3866356 [0,1,0,1,0,0|2,0,0]=4 5441 B12R1.353 COC(=O)CO[C@H]1CCOC1=O 546d055ce6113f93883b0b6074cfe3b8 [0,1,0,1,0,0|2,0,0]=4 5442 B12R1.353 O=C(CNC1CCNC1=O)NO 93338790b5c5ee1be20dba280e211fef [0,1,0,1,0,0|2,0,0]=4 5443 B12R1.353 O=C(CO)CNC1CCNC1=O 51f39efdf1c9a3eb995219fc9ae7b374 [0,1,0,1,0,0|2,0,0]=4 5444 B12R1.353 O=C(CO)CNC1CCSC1=O 1c104efe3aa3f29224ac5b5b09d518ce [0,1,0,1,0,0|2,0,0]=4 5445 B12R1.353 O=C(CO)CN[C@@H]1CCNC1=O ac9d4e7abc4bbea3c14b1d8d1fc3097f [0,1,0,1,0,0|2,0,0]=4 5446 B12R1.353 O=C(CO)CN[C@@H]1CCOC1=O d2805179d1af5f51a4db0a1a05810d6d [0,1,0,1,0,0|2,0,0]=4 5447 B12R1.353 O=C(CO)CN[C@H]1CCNC1=O 30b04831631ffc3dae41b1dae951be89 [0,1,0,1,0,0|2,0,0]=4 5448 B12R1.353 O=C(CO)CN[C@H]1CCOC1=O c53bdf143b1026e63a488e54de54b7b7 [0,1,0,1,0,0|2,0,0]=4 5449 B12R1.353 O=C(CO)NCC1CCNC1=O c44a2db7dd770771785347448b518992 [0,1,0,1,0,0|2,0,0]=4 5450 B12R1.477 COC(=O)CNCC1=CCCC1 15c5282b868768db9fa54bfa360de84b [0,1,0,1,0,0|2,0,0]=4 5451 B12R1.477 O=C(CNCC1=CCCC1)NO 4d5b8646954a4a87a2198699d5eeb478 [0,1,0,1,0,0|2,0,0]=4 5452 B12R1.1562 CCCC(=O)N1CC1C(=O)OC ff1268a447311a8e0d6aabe56a91eb09 [0,1,0,1,0,0|1,0,0]=3 5453 B12R1.1562 CCCC(=O)N1C[C@H]1C(=O)OC 1d390e9ef3c12f5d8e5533795fb67c10 [0,1,0,1,0,0|1,0,0]=3 5454 B12R1.1562 CCCN(C)C1CC1C(=O)OC f173dc813ef95905f355d5c32a76ea73 [0,1,0,1,0,0|2,0,0]=4 5455 B12R1.1562 COC(=O)C1CN1C(=O)CCF e15f80f5cd2e8abb94a730155204fc50 [0,1,0,1,0,0|2,0,0]=4 5456 B12R1.1562 COC(=O)C1CN1C(=O)CCO 8399eddf2c7e839c2c61068b6e8feca4 [0,1,0,1,0,0|2,0,0]=4 5457 B12R1.1562 COC(=O)C1CN1C(=O)CCS 1db361a300c3c6edabb8e120d993e94a [0,1,0,1,0,0|2,0,0]=4 5458 B12R1.1562 COC(=O)C1CN1C(=O)CSC 3718949a5ea774aae8f2823d68732bc1 [0,1,0,1,0,0|2,0,0]=4 5459 B12R1.1562 COC(=O)[C@@H]1CN1C(=O)CCF 14658a7e98f2378afb9a294986c0e361 [0,1,0,1,0,0|2,0,0]=4 5460 B12R1.1562 COC(=O)[C@@H]1CN1C(=O)CCO 90e8a0443cc77406f9457e6e7d3079aa [0,1,0,1,0,0|2,0,0]=4 5461 B12R1.1562 COC(=O)[C@@H]1CN1C(=O)CCS 1d5b42a2cc6aa9b755b4178d05d8ddd5 [0,1,0,1,0,0|2,0,0]=4 5462 B12R1.1562 COC(=O)[C@@H]1CN1C(=O)CSC a4e0df404dd60dfbf3c29b881b0619c5 [0,1,0,1,0,0|2,0,0]=4 5463 B12R1.1562 COCC(=O)N1CC1C(=O)OC c81ce1612cefc81a258a363ad3cb584a [0,1,0,1,0,0|2,0,0]=4 5464 B12R1.1562 COCC(=O)N1C[C@H]1C(=O)OC 2798713721065650ce3fc2ebd8b284c4 [0,1,0,1,0,0|2,0,0]=4 5465 B12R1.1689 C=C(COCC(=O)C1CC1)OC 91c915be1d03a351133f8c0b7341ba2a [0,1,0,1,0,0|2,0,0]=4 5466 B12R1.1689 CCC(=O)COCC(=O)C1CC1 193948f36e6beba8b4eab3148f0b22f4 [0,1,0,1,0,0|2,0,0]=4 5467 B12R1.1689 CNC(=O)CNCC(=O)C1CC1 aef2ac49016ffebdee2ee8cc6d8e3056 [0,1,0,1,0,0|2,0,0]=4 5468 B12R1.1689 CNC(=O)COCC(=O)C1CC1 95841467c48b02c5234fb6c290c443a2 [0,1,0,1,0,0|2,0,0]=4 5469 B12R1.1689 COC(=O)CCCN(C)C1CC1 59529c7166c25115091eb8928dab4a18 [0,1,0,1,0,0|2,0,0]=4 5470 B12R1.1689 COC(=O)CNCC(=O)C1CC1 ff15fdc3e4d2854b220defe90d094560 [0,1,0,1,0,0|1,0,0]=3 5471 B12R1.1689 COC(=O)COCC(=O)C1CC1 af9f494e995fbda1f2359bbbd813425c [0,1,0,1,0,0|1,0,0]=3 5472 B12R1.1689 O=C(CNCC(=O)C1CC1)NO b082f090fa0603d3a4ffbac3774f9be4 [0,1,0,1,0,0|1,0,0]=3 5473 B12R1.119 O=C1CCCN(C1)CS(=O)(=O)O af3fbd2187ab9edecce83c9e3c203cee [0,1,0,1,0,0|2,0,0]=4 5474 B12R1.3183 O=C(CNCS(=O)(=O)O)C1CC1 844bcc1330a4a4f0a11dd34dd4475e9e [0,1,0,1,0,0|2,0,0]=4 5475 B12R2.1369 O=C(O)CC1CN(C1)C2CC2 a8f73ab27029f1ce55009bda664123ef [0,0,0,2,0,0|2,0,0]=4 5476 B12R2.251 O=C(O)C1CCN(C1)C2CC2 5473943c66fdc439b94274cb409b2d7b [0,0,0,2,0,0|2,0,0]=4 5477 B12R2.251 O=C(O)[C@@H]1CCN(C1)C2CC2 7f1184fc8ff650b5977e16e2eba80d4c [0,0,0,2,0,0|2,0,0]=4 5478 B12R2.251 O=C(O)[C@H]1CCN(C1)C2CC2 21031e44098b93607efce04a4f994d69 [0,0,0,2,0,0|2,0,0]=4 5479 B12R2.665 CN(CC1CC(=O)O1)C2CC2 3c95e07829015234774a4928b37e764a [0,0,0,2,0,0|2,0,0]=4 5480 B12R2.3081 CN(C1CC1)[C@@H]2C[C@@H]2C(=O)O b18b21a2f88e0d2bee4160cae19cc553 [0,0,0,2,0,0|2,0,0]=4 5481 B12R2.3081 CN(C1CC1)[C@H]2C[C@@H]2C(=O)O be1a4d3809ee4bcfed191cedfea03e79 [0,0,0,2,0,0|2,0,0]=4 5482 B12R2.3081 CN(C1CC1)[C@H]2C[C@H]2C(=O)O d54b389b3da1ef62b21763c286ec51f7 [0,0,0,2,0,0|2,0,0]=4 5483 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [1,0,0,0,1,0|2,0,0]=4 5484 B8R0.9 CCC(=O)NCC(=O)N 07cfd3edf39ace2eb27c9b7f36ff92b5 [1,0,0,0,1,0|2,0,0]=4 5485 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [1,0,0,0,1,0|2,0,0]=4 5486 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,0,0,0,2,0|2,0,0]=4 5487 B12R0.277 C=C(Br)CCOCOC(=O)CCC cb5ac057055f2869d97228fe29112a65 [0,0,0,0,0,2|2,0,0]=4 5488 B12R0.277 C=C(Br)COCCOC(=O)CCC 3bb820b41eb69f1a29278d584ca29d72 [0,0,0,0,0,2|2,0,0]=4 5489 B12R0.277 C=C(C)CCCOCC(=O)CCC 15567e2063ef3c8dbad61b4f8844c85f [0,0,0,0,0,2|2,0,0]=4 5490 B12R0.277 C=C(C)CCNCOC(=O)CCC 718f135d0ef334333fd3d85719ddd1c0 [0,0,0,0,0,2|2,0,0]=4 5491 B12R0.277 C=C(C)CCOCOC(=O)CCC dc0907f83cbf3c0caf4cc1f7d4caf09e [0,0,0,0,0,2|2,0,0]=4 5492 B12R0.277 C=C(C)COCCOC(=O)CCC 58eca89829538ab29e3630ff0e963d23 [0,0,0,0,0,2|2,0,0]=4 5493 B12R0.277 C=C(Cl)COCCOC(=O)CCC 0c376834088fc7e065fade1bdf40eff4 [0,0,0,0,0,2|2,0,0]=4 5494 B12R0.277 C=C(F)COCCOC(=O)CCC a2abe5d12d431cb48e14c4218dab1305 [0,0,0,0,0,2|2,0,0]=4 5495 B12R0.277 CC(=O)NCCCNC(=O)CCF 8c2bfd491a58b7b69b0f2875bc12c9eb [0,0,0,0,0,2|2,0,0]=4 5496 B12R0.277 CC(=O)NCCCNC(=O)CCO 7c29cd2a60151711dee07e8cdbaff759 [0,0,0,0,0,2|2,0,0]=4 5497 B12R0.277 CC(=O)NCCCNC(=O)CCS 91ef4cdb526aaff64b09a88176eb5090 [0,0,0,0,0,2|2,0,0]=4 5498 B12R0.277 CCCC(=O)CNC/C=C/C(=O)O e96b806c212fe88b857234402a343746 [0,0,0,0,0,2|0,0,1]=3 5499 B12R0.277 CCCC(=O)CNCC#CC(=O)N ac51aa6ecb92bc7e17ec1719138fe9dc [0,0,0,0,0,2|1,0,1]=4 5500 B12R0.277 CCCC(=O)CNCC#CC(=O)O 130dec07d724b4184a1ab4aa67513172 [0,0,0,0,0,2|0,0,1]=3 5501 B12R0.277 CCCC(=O)CNCC=CC(=O)O 1fd7413f92ac1e095ce24c86896199e1 [0,0,0,0,0,2|0,0,1]=3 5502 B12R0.277 CCCC(=O)CNCCCC(=O)N 72af998894645797541cb8db975c3368 [0,0,0,0,0,2|1,0,0]=3 5503 B12R0.277 CCCC(=O)CNCCCC(=O)O e32991f7636f86a3beab14f962a2ee21 [0,0,0,0,0,2|0,0,0]=2 5504 B12R0.277 CCCC(=O)CNCCCS(=O)C 1e547fc311c9977416caf5a658ce95ed [0,0,0,0,0,2|2,0,0]=4 5505 B12R0.277 CCCC(=O)CNCCNC(=O)C 579be10dce7a052836603be1c70a5bb7 [0,0,0,0,0,2|1,0,0]=3 5506 B12R0.277 CCCC(=O)CNCCNC(=S)N c81a08515bdc6553f3d2d897a88b84d3 [0,0,0,0,0,2|1,1,0]=4 5507 B12R0.277 CCCC(=O)COC/C=C/C(=O)O ef65eac97ad2e8237391690b5fd3af15 [0,0,0,0,0,2|0,0,1]=3 5508 B12R0.277 CCCC(=O)COCC#CC(=O)O ae1a9dc95280ebc16662290a333967a5 [0,0,0,0,0,2|0,0,1]=3 5509 B12R0.277 CCCC(=O)COCC=CC(=O)O 6e2ee105a1b5f246d66b601a81487171 [0,0,0,0,0,2|0,0,1]=3 5510 B12R0.277 CCCC(=O)COCCCC(=O)C 3da7cdfec4b00cb21b32b8839e58b887 [0,0,0,0,0,2|1,0,0]=3 5511 B12R0.277 CCCC(=O)COCCCC(=O)N 95586b89c00fd2eeeec75803d75eabb3 [0,0,0,0,0,2|1,0,0]=3 5512 B12R0.277 CCCC(=O)COCCC[N+](=O)[O-] aeb74027d0451e78c6b82dc85ea0a2f8 [0,0,0,0,0,2|1,0,1]=4 5513 B12R0.277 CCCC(=O)COCCNC(=O)C 51e75085f8521ff18992744c15314b2a [0,0,0,0,0,2|1,0,0]=3 5514 B12R0.277 CCCC(=O)COCCNC(=O)N ca823899f68f7cd11626e5d8961c34f6 [0,0,0,0,0,2|1,0,0]=3 5515 B12R0.277 CCCC(=O)COCCNC(=S)N 542db3710516a6b621876eeb3fee3d8e [0,0,0,0,0,2|1,1,0]=4 5516 B12R0.277 CCCC(=O)COCCOC(=O)C b817b58f6bb7b450f9b74cd3788e0109 [0,0,0,0,0,2|1,0,0]=3 5517 B12R0.277 CCCC(=O)NCCCCC(=O)N af77c9a5c874ca907535496a4bb9fb31 [0,0,0,0,0,2|1,0,0]=3 5518 B12R0.277 CCCC(=O)NCCCNC(=O)C 4413e7d114a94d9c7c76635d835c1c37 [0,0,0,0,0,2|1,0,0]=3 5519 B12R0.277 CCCC(=O)OCCOCC(=O)N c474b6eee5b5952a20b9222f9dba0507 [0,0,0,0,0,2|1,0,0]=3 5520 B12R0.277 CCCC(=O)OCCOCC(=O)O 89933d1110b8ce948602a9794348091c [0,0,0,0,0,2|0,0,0]=2 5521 B12R0.277 CCCC(=O)OCCOC[N+](=O)[O-] ac98ac548858c3c42d7cabad78781839 [0,0,0,0,0,2|1,0,1]=4 5522 B12R0.277 CCCC(=O)OCNCCC(=O)N 3d11c637d10108d765759ffb9431555f [0,0,0,0,0,2|1,0,0]=3 5523 B12R0.277 CCCC(=O)OCNCCC(=O)O 97fec4354faadaaf08fb19f425c27587 [0,0,0,0,0,2|0,0,0]=2 5524 B12R0.277 CCCC(=O)OCNCCC(=S)N b734898188ae6054474fda8bbdfbe1c2 [0,0,0,0,0,2|1,1,0]=4 5525 B12R0.277 CCCC(=O)OCNCCC(C)O 850e8804b12e9cd489ab622800f4ee35 [0,0,0,0,0,2|1,0,1]=4 5526 B12R0.277 CCCC(=O)OCNCCS(=O)C dc2a7a2c1ee143246bad16387828f477 [0,0,0,0,0,2|2,0,0]=4 5527 B12R0.277 CCCC(=O)OCNCCS(=O)O 6cc732e49baca539a6222a77fcc97d26 [0,0,0,0,0,2|1,0,0]=3 5528 B12R0.277 CCCC(=O)OCNCC[C@@H](C)O cb4e9dadadc81a8e9356bc9ea2288ae0 [0,0,0,0,0,2|1,0,1]=4 5529 B12R0.277 CCCC(=O)OCNCC[C@H](C)O 23dd082ae5f991062ed03dac0cee15c4 [0,0,0,0,0,2|1,0,1]=4 5530 B12R0.277 CCCC(=O)OCOCCC(=O)C bb4b9eb1eb38071e94a026175dfc08dd [0,0,0,0,0,2|1,0,0]=3 5531 B12R0.277 CCCC(=O)OCOCCC(=O)N c08ba1a9afe697745a6303f333444bbb [0,0,0,0,0,2|1,0,0]=3 5532 B12R0.277 CCCC(=O)OCOCCC(=O)O c56a4b85a15880f8b5907394159ffc2a [0,0,0,0,0,2|0,0,0]=2 5533 B12R0.277 CCCC(=O)OCOCCS(=O)C 2672d65c32e91aa2e381b7e14655f9c1 [0,0,0,0,0,2|2,0,0]=4 5534 B12R0.277 CCCC(=O)OCOCC[N+](=O)[O-] 982e9c538f020dbc530036c1a470f02a [0,0,0,0,0,2|1,0,1]=4 5535 B12R0.277 CCCC(=O)OCOCNC(=O)C 9aa76d62919081d9433e291ec61d7e09 [0,0,0,0,0,2|2,0,0]=4 5536 B12R0.277 CCCC(=O)OCOCNC(=O)N a1881190c54ca07cf7efb42268f32833 [0,0,0,0,0,2|2,0,0]=4 5537 B12R0.277 CCCC(=S)OCCCCC(=O)C a2e82c96d735074b4c0a092227d3252c [0,0,0,0,0,2|1,1,0]=4 5538 B12R0.277 CCCC(=S)OCCCCC(=O)N 800bf5053b8558c386b96f0525fbd8b5 [0,0,0,0,0,2|1,1,0]=4 5539 B12R0.277 CCCC(=S)OCCCCC(=O)O 6070e263c9934b8f3ce4ebb547e550c1 [0,0,0,0,0,2|0,1,0]=3 5540 B12R0.277 CCCC(=S)OCCCNC(=O)C efad9d73bec3dc1fc8f9d731bcd780b2 [0,0,0,0,0,2|1,1,0]=4 5541 B12R0.277 CCCC(=S)OCCCOC(=O)C 9c8f2b39e565f97aa8f192172b23d14d [0,0,0,0,0,2|1,1,0]=4 5542 B12R0.277 CCCC(=S)OCCCSC(=O)C 2cf0c460925cbd211ea959bbe9eda027 [0,0,0,0,0,2|1,1,0]=4 5543 B12R0.277 CCCC(=S)OCCOCC(=O)N deec99098067280fc02a453a7fdd60f6 [0,0,0,0,0,2|1,1,0]=4 5544 B12R0.277 CCCC(=S)OCCOCC(=O)O 75793bdf994aeb860bbfda8228bc4dd6 [0,0,0,0,0,2|0,1,0]=3 5545 B12R0.277 CCCC(C)CCCOCC(=O)O ab89c819830bc48302db4f341b81fd16 [0,0,0,0,0,2|1,0,1]=4 5546 B12R0.277 CCCC(C)CCOCCC(=O)O 03b76b41578e9acaf1e42df292f050c3 [0,0,0,0,0,2|1,0,1]=4 5547 B12R0.277 CCCC(C)CNCCCC(=O)O d9878a804d5cedea5970c063205c383b [0,0,0,0,0,2|1,0,1]=4 5548 B12R0.277 CCCC(C)NCCCCC(=O)O 48d5592d94a45933afd15061689b4048 [0,0,0,0,0,2|1,0,1]=4 5549 B12R0.277 CCCC(C)NCCOCC(=O)O c8172f852b0fc3cb15c512ff098c343e [0,0,0,0,0,2|1,0,1]=4 5550 B12R0.277 CCCC(C)NCCSCC(=O)O ba86e7f0d04d04a1386ddd229e7f44f4 [0,0,0,0,0,2|1,0,1]=4 5551 B12R0.277 CCCC(C)OCCCCC(=O)O 64b544d5e46b90bfc2cfab82f84f620c [0,0,0,0,0,2|1,0,1]=4 5552 B12R0.277 CCCC(C)OCCOCC(=O)O fc2151f1148368d9a458cd9635d4aeef [0,0,0,0,0,2|1,0,1]=4 5553 B12R0.277 CCCC(S)CCOCCC(=O)O 2371c3233b8a0b51c4111614aa97380a [0,0,0,0,0,2|0,1,1]=4 5554 B12R0.277 CCCN(C)CCCOCC(=O)O 155fe109743caee3c21fcf4a99c32d6b [0,0,0,0,0,2|2,0,0]=4 5555 B12R0.277 CCCN(C)CCOCCC(=O)O 6003fa1ea0599b6bd077f2b249b13e1c [0,0,0,0,0,2|2,0,0]=4 5556 B12R0.277 CCC[C@@H](C)OCCOCC(=O)O 06e1cc8cce654f9c48b5b3561db3a7a3 [0,0,0,0,0,2|1,0,1]=4 5557 B12R0.277 CCC[C@H](C)NCCOCC(=O)O 5f837281a2dd7d6bdea1acbc54477002 [0,0,0,0,0,2|1,0,1]=4 5558 B12R0.277 CCC[C@H](C)OCCOCC(=O)O 0ca24c02c31639337d9fcfdf37ed7631 [0,0,0,0,0,2|1,0,1]=4 5559 B12R0.277 CCNC(=O)CCNCCC(=O)N d0520ad40accdcb936ccf9059b3c3048 [0,0,0,0,0,2|2,0,0]=4 5560 B12R0.277 CCNC(=O)CCNCCC(=O)O eccfa2f60267b70173c72c78cb3c4e91 [0,0,0,0,0,2|1,0,0]=3 5561 B12R0.277 CCNC(=O)CCNCCS(=O)O f3fa91a00fe962fdf143f600ad01a834 [0,0,0,0,0,2|2,0,0]=4 5562 B12R0.277 CCNC(=O)CCOCCC(=O)C 1fba5630d91f581489a89368b4c07bcc [0,0,0,0,0,2|2,0,0]=4 5563 B12R0.277 CCNC(=O)CCOCCC(=O)N a64ed2e7b9574bb0a830b0071a20bf65 [0,0,0,0,0,2|2,0,0]=4 5564 B12R0.277 CCNC(=O)CCOCCC(=O)O 799dc1a9e82cee1b0d94a6ed91b66636 [0,0,0,0,0,2|1,0,0]=3 5565 B12R0.277 CCNC(=O)CCOCNC(=O)C cb9c4f1b121afe27f8307d356b36598b [0,0,0,0,0,2|2,0,0]=4 5566 B12R0.277 CCNC(=O)CCOCNC(=O)N 9ed30e70d261eb4e49bf172cdc10cb19 [0,0,0,0,0,2|2,0,0]=4 5567 B12R0.277 CCNC(=O)CNC/C=C/C(=O)O c7fa3e143be4162c846634e8c1bc5d1e [0,0,0,0,0,2|1,0,1]=4 5568 B12R0.277 CCNC(=O)CNCC#CC(=O)O 8fa2edee3ab0293e1d1c6cf38e30dc14 [0,0,0,0,0,2|1,0,1]=4 5569 B12R0.277 CCNC(=O)CNCC=CC(=O)O 1117bb7ed74c70246a2d6dde5dcc5abe [0,0,0,0,0,2|1,0,1]=4 5570 B12R0.277 CCNC(=O)CNCCCC(=O)C 41f1d23de5b17d3360597d94841d4145 [0,0,0,0,0,2|2,0,0]=4 5571 B12R0.277 CCNC(=O)CNCCCC(=O)N da498ce863b846c1a273f17b6f2cab0f [0,0,0,0,0,2|2,0,0]=4 5572 B12R0.277 CCNC(=O)CNCCCC(=O)O 2b09ae6ce6525418cb8244152a2d50a8 [0,0,0,0,0,2|1,0,0]=3 5573 B12R0.277 CCNC(=O)CNCCNC(=O)C faba95db428239157152399957bae4bf [0,0,0,0,0,2|2,0,0]=4 5574 B12R0.277 CCNC(=O)CNCCNC(=O)N 24fc4d91c0a963660faac3bbd8689a66 [0,0,0,0,0,2|2,0,0]=4 5575 B12R0.277 CCNC(=O)CNCCOC(=O)C 87e0f82eb1038fb9aadd71a5333a3650 [0,0,0,0,0,2|2,0,0]=4 5576 B12R0.277 CCNC(=O)CNCCSC(=O)C 805ba7c17b6bbf073874e9abff42f5c7 [0,0,0,0,0,2|2,0,0]=4 5577 B12R0.277 CCNC(=O)COC/C=C/C(=O)O 7d6b89698ce49ec6bd98db2ff21bdfbb [0,0,0,0,0,2|1,0,1]=4 5578 B12R0.277 CCNC(=O)COCC#CC(=O)O 149a6f1ae3786aba67c2a2db8a6594c3 [0,0,0,0,0,2|1,0,1]=4 5579 B12R0.277 CCNC(=O)COCC=CC(=O)O a096ffafd7359545ee095e40c0100942 [0,0,0,0,0,2|1,0,1]=4 5580 B12R0.277 CCNC(=O)COCCCC(=O)C 70314c02966a0b739e176abe8dbe40f8 [0,0,0,0,0,2|2,0,0]=4 5581 B12R0.277 CCNC(=O)COCCCC(=O)N cd5cc883e265a52a2afee226227f82d7 [0,0,0,0,0,2|2,0,0]=4 5582 B12R0.277 CCNC(=O)COCCCC(=O)O 17f25100ba8646762e54caffb03e17e9 [0,0,0,0,0,2|1,0,0]=3 5583 B12R0.277 CCNC(=O)COCCNC(=O)C 8cb7f198c689a394cb3e89ce00419e36 [0,0,0,0,0,2|2,0,0]=4 5584 B12R0.277 CCNC(=O)COCCNC(=O)N 86404d6fb3d934dd23c96c84cc4fa1db [0,0,0,0,0,2|2,0,0]=4 5585 B12R0.277 CCNC(=O)COCCOC(=O)C d9c460f09b4d259bfedeb5708ce656e7 [0,0,0,0,0,2|2,0,0]=4 5586 B12R0.277 CCNC(=O)COCCSC(=O)C baf46fe2b575965ad18b80fc0b93659d [0,0,0,0,0,2|2,0,0]=4 5587 B12R0.277 CCOC(=O)/C=C/CNCC(=O)O 355b01239dd63932f7a1dad6a3e515b1 [0,0,0,0,0,2|1,0,1]=4 5588 B12R0.277 CCOC(=O)/C=C/COCC(=O)O ee32acef0b681c91aca06f96dbc1859b [0,0,0,0,0,2|1,0,1]=4 5589 B12R0.277 CCOC(=O)C#CCOCC(=O)O 37ccff674d86c8c4be4969940e0e9d31 [0,0,0,0,0,2|1,0,1]=4 5590 B12R0.277 CCOC(=O)C=CCNCC(=O)O 8208a771f12df95481575b0292fb696f [0,0,0,0,0,2|1,0,1]=4 5591 B12R0.277 CCOC(=O)C=CCOCC(=O)O a17b92e8eda0c6a410f4d7ac3cf8d040 [0,0,0,0,0,2|1,0,1]=4 5592 B12R0.277 CCOC(=O)CCCNCC(=O)C e512989d3e355e8e6f7c19a1a18f2d88 [0,0,0,0,0,2|2,0,0]=4 5593 B12R0.277 CCOC(=O)CCCNCC(=O)N bb8e1963ed64c0030b4d7a3203c5f128 [0,0,0,0,0,2|2,0,0]=4 5594 B12R0.277 CCOC(=O)CCCNCC(=O)O a0e53a810a3123c7e9c66d190e472314 [0,0,0,0,0,2|1,0,0]=3 5595 B12R0.277 CCOC(=O)CCCOCC(=O)N 645fb63a13a868e045fb707d08cfe675 [0,0,0,0,0,2|2,0,0]=4 5596 B12R0.277 CCOC(=O)CCCOCC(=O)O 34f36a277e7490f5359221d657baa190 [0,0,0,0,0,2|1,0,0]=3 5597 B12R0.277 CCOC(=O)CCNCCC(=O)C f981122f8041379750ed77d4b072e2fe [0,0,0,0,0,2|2,0,0]=4 5598 B12R0.277 CCOC(=O)CCNCCC(=O)N 81690347795dd9a5a518296922d7dbc3 [0,0,0,0,0,2|2,0,0]=4 5599 B12R0.277 CCOC(=O)CCNCCC(=O)O 4d3600b867d933ea6f6a5aa0fc618c8e [0,0,0,0,0,2|1,0,0]=3 5600 B12R0.277 CCOC(=O)CCNCCS(=O)O b3afd49c0f823108e71b5fdc70f9f0f7 [0,0,0,0,0,2|2,0,0]=4 5601 B12R0.277 CCOC(=O)CCNCOC(=O)C 2888d593d70b96a537f04c31e8cd2439 [0,0,0,0,0,2|2,0,0]=4 5602 B12R0.277 CCOC(=O)CCNCSC(=O)N a5cb4ca5a43ebf39ab86d36a18d6663c [0,0,0,0,0,2|2,0,0]=4 5603 B12R0.277 CCOC(=O)CCOCCC(=O)C 49e78e8ed6ca6800a8f3ca6c3785c6c9 [0,0,0,0,0,2|2,0,0]=4 5604 B12R0.277 CCOC(=O)CCOCCC(=O)N d673b63a161f391403ead233dfaa58fd [0,0,0,0,0,2|2,0,0]=4 5605 B12R0.277 CCOC(=O)CCOCCC(=O)O e35f33fe5126fc840f7a73b366c7de53 [0,0,0,0,0,2|1,0,0]=3 5606 B12R0.277 CCOC(=O)CCOCNC(=O)C 010ac90263953db18bfe76d6752187a2 [0,0,0,0,0,2|2,0,0]=4 5607 B12R0.277 CCOC(=O)CCOCNC(=O)N 06fd3feafdecf75c2962bddd7964e82e [0,0,0,0,0,2|2,0,0]=4 5608 B12R0.277 CCOC(=O)CCOCOC(=O)C b325d32856f97fb311871e184f5002a1 [0,0,0,0,0,2|2,0,0]=4 5609 B12R0.277 CCOC(=O)CCOCSC(=O)N 6eff8933f4187f0211d7e32528474af2 [0,0,0,0,0,2|2,0,0]=4 5610 B12R0.277 CCOC(=O)CNC/C=C/C(=O)O 497507e2ee2c38e8035db41f5e18fd7f [0,0,0,0,0,2|1,0,1]=4 5611 B12R0.277 CCOC(=O)CNCC#CC(=O)O 42b6ef25a8c2dab5725171091bfb9bbe [0,0,0,0,0,2|1,0,1]=4 5612 B12R0.277 CCOC(=O)CNCC=CC(=O)O 011a3b8e9dc8af7f9b0d53b5bd098b72 [0,0,0,0,0,2|1,0,1]=4 5613 B12R0.277 CCOC(=O)CNCCCC(=O)C 0cf685c621cdab0eaa48a2e732667265 [0,0,0,0,0,2|2,0,0]=4 5614 B12R0.277 CCOC(=O)CNCCCC(=O)N 22861b116b42c7b1aafb647c5b9e6162 [0,0,0,0,0,2|2,0,0]=4 5615 B12R0.277 CCOC(=O)CNCCCC(=O)O bd344e98792a26d874e5aa36a2814470 [0,0,0,0,0,2|1,0,0]=3 5616 B12R0.277 CCOC(=O)CNCCNC(=O)C f737fb929f520b54c05db70b57954993 [0,0,0,0,0,2|2,0,0]=4 5617 B12R0.277 CCOC(=O)CNCCNC(=O)N 8f7d3e87f30f3acd028f012e4f1e9b81 [0,0,0,0,0,2|2,0,0]=4 5618 B12R0.277 CCOC(=O)CNCCOC(=O)C a9798a4f114c4c3bbfe3c55c9f3c86f7 [0,0,0,0,0,2|2,0,0]=4 5619 B12R0.277 CCOC(=O)CNCCSC(=O)C a1c4e29fe39eb8aeaca0ae91b83856ba [0,0,0,0,0,2|2,0,0]=4 5620 B12R0.277 CCOC(=O)COC/C=C/C(=O)O 032fe2b386ff4e4e72175c20a8a963e4 [0,0,0,0,0,2|1,0,1]=4 5621 B12R0.277 CCOC(=O)COCC#CC(=O)O fe280b22119af0cb3e4a719f0131d5c7 [0,0,0,0,0,2|1,0,1]=4 5622 B12R0.277 CCOC(=O)COCC=CC(=O)O a239772269e823b2800228fa6c14f99d [0,0,0,0,0,2|1,0,1]=4 5623 B12R0.277 CCOC(=O)COCCCC(=O)C fc928505d6065271a63f1efd4a2706c3 [0,0,0,0,0,2|2,0,0]=4 5624 B12R0.277 CCOC(=O)COCCCC(=O)N 543e26f12053c1ed4153652f978085d6 [0,0,0,0,0,2|2,0,0]=4 5625 B12R0.277 CCOC(=O)COCCNC(=O)C 1356c33c903f9f802708825713d55ff8 [0,0,0,0,0,2|2,0,0]=4 5626 B12R0.277 CCOC(=O)COCCNC(=O)N ee8ec30e96533e8df75662e15401e7da [0,0,0,0,0,2|2,0,0]=4 5627 B12R0.277 CCOC(=O)COCCOC(=O)C 23e7c36cd049ecfaa919d7bc207f8e83 [0,0,0,0,0,2|2,0,0]=4 5628 B12R0.277 CCOC(=O)COCCSC(=O)C e77d2f9f488e7207ca100b1c647aabde [0,0,0,0,0,2|2,0,0]=4 5629 B12R0.277 CCOC(=O)OCNCCC(=O)N bb1654052531f979b37d5a80c8236c60 [0,0,0,0,0,2|2,0,0]=4 5630 B12R0.277 CCOC(=O)OCNCCC(=O)O 77206e8beab1d989e5849b339d96d89d [0,0,0,0,0,2|1,0,0]=3 5631 B12R0.277 CCOC(=O)OCNCCS(=O)O 67da48c3020d712ff8fd9accb822a971 [0,0,0,0,0,2|2,0,0]=4 5632 B12R0.277 CCOC(=O)OCOCCC(=O)C 65638ad0c47302a6796784afb047cfcf [0,0,0,0,0,2|2,0,0]=4 5633 B12R0.277 CCOC(=O)OCOCCC(=O)N 07a86ff0ec553168a9e43b6ed5d50cba [0,0,0,0,0,2|2,0,0]=4 5634 B12R0.277 CCOC(=O)OCOCCC(=O)O d7329f639dac9d55aba50f455487b442 [0,0,0,0,0,2|1,0,0]=3 5635 B12R0.277 CCSC(=O)OCNCCC(=O)N 40bf3ea7e5f984229ed558404ec7cd38 [0,0,0,0,0,2|2,0,0]=4 5636 B12R0.277 CCSC(=O)OCNCCC(=O)O 6df4159f6a7acfa16f7fdda7f0f37b8f [0,0,0,0,0,2|1,0,0]=3 5637 B12R0.277 CCSC(=O)OCNCCS(=O)O a9e7c753f747823a0ec896ffed47d6c4 [0,0,0,0,0,2|2,0,0]=4 5638 B12R0.277 CCSC(=O)OCOCCC(=O)C eb58d1c9aeb4310646286f0c4fd7624b [0,0,0,0,0,2|2,0,0]=4 5639 B12R0.277 CCSC(=O)OCOCCC(=O)N 887e86acc7f2b4c9bcec5d4e971ef4df [0,0,0,0,0,2|2,0,0]=4 5640 B12R0.277 CCSC(=O)OCOCCC(=O)O 01975eb6fbc43ac5c982774a24bab019 [0,0,0,0,0,2|1,0,0]=3 5641 B12R0.277 COCC(=O)CNC/C=C/C(=O)O bb65dc2803c33ac6b1ba8969729cf680 [0,0,0,0,0,2|1,0,1]=4 5642 B12R0.277 COCC(=O)CNCC=CC(=O)O f1f31b2b5ec360dce6a99982e534cd58 [0,0,0,0,0,2|1,0,1]=4 5643 B12R0.277 COCC(=O)CNCCNC(=O)C 32f50f8a4be9b8320fedfa830e4c86d6 [0,0,0,0,0,2|2,0,0]=4 5644 B12R0.277 COCC(=O)COC/C=C/C(=O)O 3d6953ee80d99a713725c3dcd98b886c [0,0,0,0,0,2|1,0,1]=4 5645 B12R0.277 COCC(=O)COCC=CC(=O)O aeb25882e5630944ab31b395ea263df4 [0,0,0,0,0,2|1,0,1]=4 5646 B12R0.277 COCC(=O)COCCNC(=O)C 6db4bd8ed466b5ea53410ee46199eac5 [0,0,0,0,0,2|2,0,0]=4 5647 B12R0.277 COCC(=O)COCCNC(=O)N 35662235027a1380cd250ac8a7d44b59 [0,0,0,0,0,2|2,0,0]=4 5648 B12R0.277 COCC(=O)COCCOC(=O)C 497ec01514c5a6e471bd5cc0aab9a9fd [0,0,0,0,0,2|2,0,0]=4 5649 B12R0.277 COCC(=O)NCCCCC(=O)N f77bd13993c048b905d7f49567280ccf [0,0,0,0,0,2|2,0,0]=4 5650 B12R0.277 COCC(=O)NCCCNC(=O)C 38bffece283e5de83f726ee46235362a [0,0,0,0,0,2|2,0,0]=4 5651 B12R0.277 CSCC(=O)NCCCCC(=O)N bc9666913363cdd4a47ad4d1bfb324cc [0,0,0,0,0,2|2,0,0]=4 5652 B12R0.277 CSCC(=O)NCCCNC(=O)C 198341e9d4d4a4b91aea2d53d5002a9f [0,0,0,0,0,2|2,0,0]=4 5653 B12R0.277 N#CCC(=O)NCCOCC(=O)O 16b767f49d37f83cdd8d2c725aa80e3c [0,0,0,0,0,2|1,0,1]=4 5654 B12R0.277 NC(=O)CCCCNC(=O)CCF 0f45926096148a62dcdb19c7c301ffac [0,0,0,0,0,2|2,0,0]=4 5655 B12R0.277 NC(=O)CCCCNC(=O)CCO 3f185026f0635132e1691d969871ee6b [0,0,0,0,0,2|2,0,0]=4 5656 B12R0.277 NC(=O)CCCCNC(=O)CCS 569820f7928ef755e11f147487df8a7f [0,0,0,0,0,2|2,0,0]=4