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[0,0,0,0,0,0|4,0,0]=4 76 B11R0.160 CSCN[C@H](CC(=O)N)C(=O)O d19b3cadf6d1c44ec4885bda709f3d21 [0,0,0,0,0,0|3,0,0]=3 77 B11R0.160 CSCN[C@H](CC(=O)O)C(=O)N 87c9050acaa727b708af14d10a76909b [0,0,0,0,0,0|4,0,0]=4 78 B11R0.160 CSCN[C@H](CC(=O)O)C(=O)O 6f1fa90de8493cd364626800bd2bba37 [0,0,0,0,0,0|3,0,0]=3 79 B11R0.160 CSCN[C@H](CC(C)C)C(=O)O ceca99eb548165acda2ea198a23b0687 [0,0,0,0,0,0|3,0,1]=4 80 B11R0.160 CSCOC(CC(=O)C)C(=O)C c7dd55146c9b39cd0bf03a09a44cff1a [0,0,0,0,0,0|3,0,0]=3 81 B11R0.160 CSCOC(CC(=O)O)C(=O)O 7df1e3960381d12783e065ab13e6b4d3 [0,0,0,0,0,0|3,0,0]=3 82 B11R0.160 CSCOC(CC(C)C)C(=O)O b6802eccd30a73078ddef01edf458099 [0,0,0,0,0,0|3,0,1]=4 83 B11R0.160 CSCO[C@@H](CC(=O)O)C(=O)O 50b3d076d087b092b6580dc630fe1920 [0,0,0,0,0,0|3,0,0]=3 84 B11R0.160 CSCO[C@@H](CC(C)C)C(=O)O f4f94e80e00601ae4df542a81e1046f7 [0,0,0,0,0,0|3,0,1]=4 85 B11R0.160 CSCO[C@H](CC(=O)O)C(=O)O 607957af34617b1dfa57714780eb3af4 [0,0,0,0,0,0|3,0,0]=3 86 B11R0.160 CSCO[C@H](CC(C)C)C(=O)O 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cadb0af95eda392e8a14586b11f34e26 [1,0,0,0,0,0|2,0,1]=4 98 B10R0.23 CCC[C@@H](NC(C)C)C(=O)O db6abdda3224b6bf65f07fb8006487cc [1,0,0,0,0,0|1,0,1]=3 99 B10R0.23 CCC[C@@H](OC(C)C)C(=O)O e125e80e5ecacdf0ec795e0fc0fd9533 [1,0,0,0,0,0|2,0,1]=4 100 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 45cc78c7c55a0a5cf76fc0c191691505 [1,0,0,0,0,0|1,0,1]=3 101 B10R0.23 CCC[C@H](OC(C)C)C(=O)O 141c711cdc4720b0b768e53f80aa1a76 [1,0,0,0,0,0|2,0,1]=4 102 B10R0.23 CCNC(CC(=O)N)C(=O)O 9db700ec67cea147dcb8a7609197e83b [1,0,0,0,0,0|3,0,0]=4 103 B10R0.23 CCNC(CC(=O)O)C(=O)O f5c36d78b7252a59964338659f580da3 [1,0,0,0,0,0|3,0,0]=4 104 B10R0.23 CCN[C@@H](CC(=O)N)C(=O)O ad7e862ff463495bf400f959a7af0f69 [1,0,0,0,0,0|3,0,0]=4 105 B10R0.23 CCN[C@@H](CC(=O)O)C(=O)O 0b45d73916085002b729811e90202b16 [1,0,0,0,0,0|3,0,0]=4 106 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 598f2b2ed2d9cb176de522e1e5acc04c [1,0,0,0,0,0|3,0,0]=4 107 B10R0.23 CCN[C@H](CC(=O)N)C(=O)O f42f2f555466099d12e64d3b609f2258 [1,0,0,0,0,0|3,0,0]=4 108 B10R0.23 CCN[C@H](CC(=O)O)C(=O)O 6c8bd6c813f3f9a1b64cbb4623387fdf [1,0,0,0,0,0|3,0,0]=4 109 B10R0.23 CCOC(CC(=O)C)C(=O)C 7a227a0db46ef189856b694b3c8d711b [1,0,0,0,0,0|3,0,0]=4 110 B10R0.23 CCOC(CC(=O)O)C(=O)O 3962d5aa6d16d8bf390040b35bf206c8 [1,0,0,0,0,0|3,0,0]=4 111 B10R0.23 CCO[C@@H](CC(=O)O)C(=O)O 6b43c742c388afccde78088a9aa45732 [1,0,0,0,0,0|3,0,0]=4 112 B10R0.23 CCO[C@H](CC(=O)O)C(=O)O 971331313d178d492983944037c78fb7 [1,0,0,0,0,0|3,0,0]=4 113 B10R0.23 COCC(NC(C)C)C(=O)O 3edbc137f9acf09874567c70373a4839 [1,0,0,0,0,0|1,1,1]=4 114 B10R0.23 COC[C@@H](NC(C)C)C(=O)O fbb9ba6fc387ceabbf86332b9383e649 [1,0,0,0,0,0|1,1,1]=4 115 B10R0.23 COC[C@H](NC(C)C)C(=O)O 94f177320202b05d71ea51ee26edd786 [1,0,0,0,0,0|1,1,1]=4 116 B10R0.23 CSCC(NC(C)C)C(=O)O 2e1ae4fa0ec6ea6f3333823a07886ede [1,0,0,0,0,0|1,0,1]=3 117 B10R0.23 CSCC(OC(C)C)C(=O)O e7e3a88ae336c6a485eaca89f29b364b [1,0,0,0,0,0|2,0,1]=4 118 B10R0.23 CSC[C@@H](NC(C)C)C(=O)O bbd6dc10f7ee6e9f255a336d61c82a0b [1,0,0,0,0,0|1,0,1]=3 119 B10R0.23 CSC[C@H](NC(C)C)C(=O)O b063599764e8e44afe9a54a980a73a41 [1,0,0,0,0,0|1,0,1]=3 120 B10R0.87 CC#CCC(CO)NC(=O)C 1cb9306d30fe83f32feda92f223cc468 [1,0,0,0,0,0|1,0,2]=4 121 B10R0.87 CC(=O)NC(CO)CCCO 86a623427c8eb29ebbea05c9b09df4b5 [1,0,0,0,0,0|2,0,1]=4 122 B10R0.87 CCCCC(CO)NC(=O)C 68902bbed5107db3b1d23a1d6c7c5465 [1,0,0,0,0,0|1,0,1]=3 123 B10R0.87 CCCC[C@@H](CO)NC(=O)C 7b16a3c9ba202ed7d0ef89f7138c1e17 [1,0,0,0,0,0|1,0,1]=3 124 B10R0.87 CCCC[C@H](CO)NC(=O)C c990e71bf827f4a94486963099a00e2c [1,0,0,0,0,0|1,0,1]=3 125 B10R0.87 CSCCC(CO)NC(=O)C 9e18561ebee7a9396f9bd5128c675bd0 [1,0,0,0,0,0|0,0,1]=2 126 B10R0.87 CSCCC(CO)NC(C)C 04e2dc0f5d119612c10e95468a8e82ad [1,0,0,0,0,0|1,0,2]=4 127 B10R0.87 CSCC[C@@H](CO)NC(=O)C 2c1e5c35361767b8bd4625160d42c2f4 [1,0,0,0,0,0|0,0,1]=2 128 B10R0.87 CSCC[C@@H](CO)NC(C)C f908b2572e977d18befa1aff59e0bc8b [1,0,0,0,0,0|1,0,2]=4 129 B10R0.87 CSCC[C@H](CO)NC(=O)C 6eade2ad3d80da8a4569e7ffe722000f [1,0,0,0,0,0|0,0,1]=2 130 B10R0.87 CSCC[C@H](CO)NC(C)C e49451513451ca9697c66d257ff79386 [1,0,0,0,0,0|1,0,2]=4 131 B10R0.88 C#CCCC(NCC)C(=O)O cca18fb91c0e863f34083ac93de2511e [1,0,0,0,0,0|1,0,2]=4 132 B10R0.88 C#CCC[C@@H](NCC)C(=O)O ed94bc00f47c751e99a94291cb998a0f [1,0,0,0,0,0|1,0,2]=4 133 B10R0.88 C#CCC[C@H](NCC)C(=O)O eec2f6a7b75479408d2e40211b2becc0 [1,0,0,0,0,0|1,0,2]=4 134 B10R0.88 C=CCC(NCSC)C(=O)O e051a8f72f314666828a82f8d4538b75 [1,0,0,0,0,0|2,0,1]=4 135 B10R0.88 C=CCCC(NCC)C(=O)O b02d01916e8db00c8fb57ef4daa8ec54 [1,0,0,0,0,0|1,0,2]=4 136 B10R0.88 C=CCC[C@@H](NCC)C(=O)O 83b6b8856ae40fd7f43d415e0be992f1 [1,0,0,0,0,0|1,0,2]=4 137 B10R0.88 C=CCC[C@H](NCC)C(=O)O 5b64b7ffab48c2db1dceacda035c1b11 [1,0,0,0,0,0|1,0,2]=4 138 B10R0.88 C=CC[C@@H](NCSC)C(=O)O 6043e496951f9ad269abd297168c0829 [1,0,0,0,0,0|2,0,1]=4 139 B10R0.88 C=CC[C@H](NCSC)C(=O)O 9c871aff5a72b7b6ca67f67ab04a34f3 [1,0,0,0,0,0|2,0,1]=4 140 B10R0.88 CC#CC[C@@H](NCC)C(=O)O d7614a74f6b4c2dbfeb2ff1b17d76825 [1,0,0,0,0,0|1,0,2]=4 141 B10R0.88 CC#CC[C@H](NCC)C(=O)O f4c09ff63f8663fcf616c4daa49f96fb [1,0,0,0,0,0|1,0,2]=4 142 B10R0.88 CCCC(NCSC)C(=O)O d33df9220a5811fdde39cd7886fa7957 [1,0,0,0,0,0|2,0,1]=4 143 B10R0.88 CCCC(OCSC)C(=O)O 476c80112d882fda9cbd8694666151e8 [1,0,0,0,0,0|2,0,1]=4 144 B10R0.88 CCCCC(NC#N)C(=O)O 28ae94a0c86d6b2c77c855b58c6126e4 [1,0,0,0,0,0|2,0,1]=4 145 B10R0.88 CCCCC(NC=O)C(=O)N e8dda810d7802c4d9f4c2798c0d7298b [1,0,0,0,0,0|2,0,0]=3 146 B10R0.88 CCCCC(NCC)C(=O)N c1258c9de45345833efaa8f5b9efa1e8 [1,0,0,0,0,0|2,0,1]=4 147 B10R0.88 CCCCC(NCC)C(=O)O 19afefdf9a0dc101c3e3fca215d9c7b1 [1,0,0,0,0,0|1,0,1]=3 148 B10R0.88 CCCCC(NCF)C(=O)O 69e9649e038a8ecf78ce53405e602367 [1,0,0,0,0,0|2,0,1]=4 149 B10R0.88 CCCCC(NCO)C(=O)O 8d663557413d6ccb986ebe7058c76389 [1,0,0,0,0,0|1,0,2]=4 150 B10R0.88 CCCCC(OCC)C(=O)O 0f352149ce74024fc046b5ca610f4e45 [1,0,0,0,0,0|2,0,1]=4 151 B10R0.88 CCCC[C@@H](NCC)C(=O)O 95ad414be444c13b7955e67f44252ff1 [1,0,0,0,0,0|1,0,1]=3 152 B10R0.88 CCCC[C@@H](NCF)C(=O)O 66f1ba402b56b1bb56335dcea0791efc [1,0,0,0,0,0|2,0,1]=4 153 B10R0.88 CCCC[C@@H](NCO)C(=O)O 28b817db1f487deb016536f9133dc563 [1,0,0,0,0,0|1,0,2]=4 154 B10R0.88 CCCC[C@@H](OCC)C(=O)O 6d2de7eeef8fa36ba16abc39c96c4de8 [1,0,0,0,0,0|2,0,1]=4 155 B10R0.88 CCCC[C@H](NCC)C(=O)O cf01ba2ece95c0be4aa1f2867e8d34b1 [1,0,0,0,0,0|1,0,1]=3 156 B10R0.88 CCCC[C@H](NCF)C(=O)O e4ee9e4f88218256adc840a564a154ce [1,0,0,0,0,0|2,0,1]=4 157 B10R0.88 CCCC[C@H](NCO)C(=O)O d11dbe86445a1bafbb9afa2ccfbfda69 [1,0,0,0,0,0|1,0,2]=4 158 B10R0.88 CCCC[C@H](OCC)C(=O)O 735b82d55f6f8b61c7d0c4b06f432e62 [1,0,0,0,0,0|2,0,1]=4 159 B10R0.88 CCC[C@@H](NCSC)C(=O)O 517c9245a17884ce6a1f1db25da7b251 [1,0,0,0,0,0|2,0,1]=4 160 B10R0.88 CCC[C@@H](OCSC)C(=O)O d4202a819b78130d117bffa16205c5b8 [1,0,0,0,0,0|2,0,1]=4 161 B10R0.88 CCC[C@H](NCSC)C(=O)O 0eff0353d65d36e000595a87e5a915e0 [1,0,0,0,0,0|2,0,1]=4 162 B10R0.88 CCC[C@H](OCSC)C(=O)O af3123f959fb8fd8097e79196a33bfe3 [1,0,0,0,0,0|2,0,1]=4 163 B10R0.88 CCNC(CCSC)C(=O)O 82548539575ba824e7a2098a35cd1dac [1,0,0,0,0,0|0,0,1]=2 164 B10R0.88 CCN[C@@H](CCCO)C(=O)O 31b58d64b2612b4ac3e859096c7cd00c [1,0,0,0,0,0|2,0,1]=4 165 B10R0.88 CCN[C@@H](CCOC)C(=O)O 4cef9fb1300898592974c5e4ff38b7ca [1,0,0,0,0,0|0,1,1]=3 166 B10R0.88 CCN[C@@H](CCSC)C(=O)N dc2412625b7b2be695ad951dcde48324 [1,0,0,0,0,0|1,0,1]=3 167 B10R0.88 CCN[C@@H](CCSC)C(=O)O b07091ff90877dbf86b5359ad286371e [1,0,0,0,0,0|0,0,1]=2 168 B10R0.88 CCN[C@H](CCCO)C(=O)O 6608e7e92d586587a3ac50b988c050b9 [1,0,0,0,0,0|2,0,1]=4 169 B10R0.88 CCN[C@H](CCSC)C(=O)O de9c0e07f6ad6132a81825d3b738d0b9 [1,0,0,0,0,0|0,0,1]=2 170 B10R0.88 CCOC(CCSC)C(=O)N 35aa84897c828a17add2c1ca42a0f0e3 [1,0,0,0,0,0|2,0,1]=4 171 B10R0.88 CCOC(CCSC)C(=O)O 139f69f71008f39e3a50a48623dceda3 [1,0,0,0,0,0|1,0,1]=3 172 B10R0.88 COCC(NCSC)C(=O)O 9f6eafdf36dafaabf5499d1740901163 [1,0,0,0,0,0|3,0,0]=4 173 B10R0.88 COCC[C@H](NCF)C(=O)O ccf8b034dc356b61529306f3f07cb729 [1,0,0,0,0,0|1,1,1]=4 174 B10R0.88 COCC[C@H](NCO)C(=O)O 5fddba9a0a8bcc52d0a4ec6f24750ba6 [1,0,0,0,0,0|0,1,2]=4 175 B10R0.88 COC[C@@H](NCSC)C(=O)O 7cf8d4e118ee54ef3d7e084579bb9163 [1,0,0,0,0,0|3,0,0]=4 176 B10R0.88 COC[C@H](NCSC)C(=O)O bb249d3d5bb0c2c5499b258711edde0a [1,0,0,0,0,0|3,0,0]=4 177 B10R0.88 CSCCC(NCF)C(=O)O 0c886b73faabbd0b0069934c6a32b004 [1,0,0,0,0,0|1,0,1]=3 178 B10R0.88 CSCCC(NCO)C(=O)O 6e5a81214f86db9f27b5ff3a42c7381a [1,0,0,0,0,0|0,0,2]=3 179 B10R0.88 CSCCC(OCF)C(=O)O 186c11e4386295b5dbff8378fc2f594b [1,0,0,0,0,0|2,0,1]=4 180 B10R0.88 CSCC[C@@H](NCF)C(=O)O d9b7ca4fa2852a050059a1f69879eaa8 [1,0,0,0,0,0|1,0,1]=3 181 B10R0.88 CSCC[C@@H](NCO)C(=O)O cfe1b330a9d04d7bbee42e773919874f [1,0,0,0,0,0|0,0,2]=3 182 B10R0.88 CSCC[C@H](NC=O)C(=O)N 46160943b3dcf1ddbab8c9ed671cc166 [1,0,0,0,0,0|1,0,0]=2 183 B10R0.88 CSCC[C@H](NCF)C(=O)N 124473b46df64f34c9a047eebb73f84d [1,0,0,0,0,0|2,0,1]=4 184 B10R0.88 CSCC[C@H](NCF)C(=O)O 7a45bb08ad4052f001315259fa153a10 [1,0,0,0,0,0|1,0,1]=3 185 B10R0.88 CSCC[C@H](NCO)C(=O)N 069e2eb56aa6805fcac2b635ff869b46 [1,0,0,0,0,0|1,0,2]=4 186 B10R0.88 CSCC[C@H](NCO)C(=O)O 5343fc90446948f8f7453c75ed67c8a5 [1,0,0,0,0,0|0,0,2]=3 187 B10R0.88 CSCNC(CSC)C(=O)O 6bf3dfbdf28278664db4dfbe958e8ab8 [1,0,0,0,0,0|3,0,0]=4 188 B10R0.88 CSCN[C@@H](CSC)C(=O)O 08ba77ef27db18c76ebd24ec81324895 [1,0,0,0,0,0|3,0,0]=4 189 B10R0.88 CSCN[C@H](CSC)C(=O)O c2db35c9b6861dede067cf45c446effa [1,0,0,0,0,0|3,0,0]=4 190 B10R0.88 CSCOC(CSC)C(=O)O ae04146b7dbb41398491f31e30294abb [1,0,0,0,0,0|3,0,0]=4 191 B12R0.73 CC(=O)NC(C(=O)O)C(C)OCF f73003a3e711d30059cb13b5a0066a44 [0,1,0,0,0,0|3,0,0]=4 192 B12R0.73 CC(=O)N[C@H](C(=O)O)[C@@H](C)OCF 613a532d864b59a6b024aeaec0244ec2 [0,1,0,0,0,0|3,0,0]=4 193 B12R0.73 CCCC(C)C(NC(C)C)C(=O)O c62c590febb1477d363056e62770e3aa [0,1,0,0,0,0|2,0,1]=4 194 B12R0.73 CCOC(C)C(NC(=O)C)C(=O)O 7900abbf0a2329dfb53ca0ad7740ec96 [0,1,0,0,0,0|2,0,0]=3 195 B12R0.73 CCO[C@H](C)[C@H](NC(=O)C)C(=O)O 0cc38f8af46f916057762d913abd47f9 [0,1,0,0,0,0|2,0,0]=3 196 B12R0.73 CSCN(C)C(CC(=O)O)C(=O)O 4a371d1d8631c5cd1fcc14169bc867ff [0,1,0,0,0,0|3,0,0]=4 197 B12R0.73 CSCN(C)[C@@H](CC(=O)O)C(=O)O 5e151bf5298039e40f79de494271ead0 [0,1,0,0,0,0|3,0,0]=4 198 B12R0.73 CSCN(C)[C@H](CC(=O)N)C(=O)O 7f2d316d28e60483d4ad524248296071 [0,1,0,0,0,0|3,0,0]=4 199 B12R0.73 CSCN(C)[C@H](CC(=O)O)C(=O)O 589efc592963789e5b36d62249a2974c [0,1,0,0,0,0|3,0,0]=4 200 B12R0.120 C#CCNC[C@@H](NC(=O)C)C(=O)O ce9f06b20c2c1d424a5523ed57ce2c61 [0,1,0,0,0,0|1,0,1]=3 201 B12R0.120 C#CCNC[C@H](NC(=O)C)C(=O)O 7eae09c2a33ac4479a5302a55618629c [0,1,0,0,0,0|1,0,1]=3 202 B12R0.120 C#CCOCC(NC(=O)C)C(=O)O 9a1de3954a4aa046b1d72fac34e19db8 [0,1,0,0,0,0|1,0,1]=3 203 B12R0.120 C#CCOC[C@@H](NC(=O)C)C(=O)O cd354b7696384902ee7ebaaea602ff85 [0,1,0,0,0,0|1,0,1]=3 204 B12R0.120 C#CCOC[C@H](NC(=O)C)C(=O)O 9f5793d280938f4d9c6c655530d067e4 [0,1,0,0,0,0|1,0,1]=3 205 B12R0.120 C=C(Br)CC(NCCSC)C(=O)O 821b8b7e3993122d95194aab0859399c [0,1,0,0,0,0|2,0,1]=4 206 B12R0.120 C=C(Br)C[C@@H](NCCSC)C(=O)O 89ab51cdddd9d30c06ebb2ec91b46b8e [0,1,0,0,0,0|2,0,1]=4 207 B12R0.120 C=C(Br)C[C@H](NCCSC)C(=O)O f42668036ed4a723e62b491c3728f359 [0,1,0,0,0,0|2,0,1]=4 208 B12R0.120 C=C(C)CC(NCCCC)C(=O)O ac2a768ecdf67cc7e7a35e14d3c15561 [0,1,0,0,0,0|3,0,0]=4 209 B12R0.120 C=C(C)CC(NCCOC)C(=O)O 74e0f1a5f24c5b9af3309015488482ca [0,1,0,0,0,0|2,1,0]=4 210 B12R0.120 C=C(C)CC(NCCSC)C(=O)O 4614f41bac3651171b7ce9a6d6e48ed6 [0,1,0,0,0,0|2,0,0]=3 211 B12R0.120 C=C(C)C[C@@H](NCCCC)C(=O)O 2f318011f16f04b9db3e96631db07d56 [0,1,0,0,0,0|3,0,0]=4 212 B12R0.120 C=C(C)C[C@@H](NCCOC)C(=O)O 127c83b48f230bb0fcecf423ca9f5a0d [0,1,0,0,0,0|2,1,0]=4 213 B12R0.120 C=C(C)C[C@@H](NCCSC)C(=O)O 2954824c3d2e15fb7f95059e4813e3fa [0,1,0,0,0,0|2,0,0]=3 214 B12R0.120 C=C(C)C[C@H](NCCCC)C(=O)O 671ae777fcad851048be515df9c84b3e [0,1,0,0,0,0|3,0,0]=4 215 B12R0.120 C=C(C)C[C@H](NCCOC)C(=O)O 3428879f3770d50a483fa2c08024efb0 [0,1,0,0,0,0|2,1,0]=4 216 B12R0.120 C=C(C)C[C@H](NCCSC)C(=O)O ef554c7ddd863d7e6185bfc64ed87344 [0,1,0,0,0,0|2,0,0]=3 217 B12R0.120 C=CCOCC(NC(=O)C)C(=O)O ea85055c1b66e87a509d08fe38fa8316 [0,1,0,0,0,0|1,0,1]=3 218 B12R0.120 C=CCOC[C@@H](NC(=O)C)C(=O)O 0da0c0cbfd88d4c19cc1d22e5e546c12 [0,1,0,0,0,0|1,0,1]=3 219 B12R0.120 C=CCOC[C@H](NC(=O)C)C(=O)O a53dc657924e541d3f1b3fc85741a9bf [0,1,0,0,0,0|1,0,1]=3 220 B12R0.120 CC(=O)NC(CCOCF)C(=O)O 84f2e30b2fd8e4d4f371549d312d9271 [0,1,0,0,0,0|0,1,0]=2 221 B12R0.120 CC(=O)NC(COCC#N)C(=O)O 4bf7ad45b54920c169593dbfb70ad2a2 [0,1,0,0,0,0|2,0,0]=3 222 B12R0.120 CC(=O)NC(COCC=O)C(=O)O d14d4841fd1c3a286f10195cefce470d [0,1,0,0,0,0|2,0,0]=3 223 B12R0.120 CC(=O)NC(COCCF)C(=O)O c6150d9ca313949705c573b55a3d00c7 [0,1,0,0,0,0|2,0,0]=3 224 B12R0.120 CC(=O)NC(COCCS)C(=O)O 7264b503638b347aa0271c23e28804e1 [0,1,0,0,0,0|2,0,0]=3 225 B12R0.120 CC(=O)N[C@@H](CNCCBr)C(=O)O 47a7c63e050923661fe99428498131bb [0,1,0,0,0,0|2,0,0]=3 226 B12R0.120 CC(=O)N[C@@H](CNCCF)C(=O)O ac4efeb5d6222f9a87e7d1b55dae4251 [0,1,0,0,0,0|2,0,0]=3 227 B12R0.120 CC(=O)N[C@@H](CNCCI)C(=O)O ed434ea0a9e1d8bd8df710c3cac56b35 [0,1,0,0,0,0|2,0,0]=3 228 B12R0.120 CC(=O)N[C@@H](CNCCO)C(=O)O f9de9d79bf9863f8e168e3e8eff5a503 [0,1,0,0,0,0|2,0,0]=3 229 B12R0.120 CC(=O)N[C@@H](CNCCS)C(=O)O 4550599aeb562cf387d521fad0133e40 [0,1,0,0,0,0|2,0,0]=3 230 B12R0.120 CC(=O)N[C@@H](COCC#N)C(=O)O 36ed0e8e1bdd422021c5c3a9f18229fe [0,1,0,0,0,0|2,0,0]=3 231 B12R0.120 CC(=O)N[C@@H](COCC=O)C(=O)O 71181c272105ea250dd41d5c35bdd22b [0,1,0,0,0,0|2,0,0]=3 232 B12R0.120 CC(=O)N[C@@H](COCCF)C(=O)O 0eec0e2a56026ed11b01f826ee72b2e1 [0,1,0,0,0,0|2,0,0]=3 233 B12R0.120 CC(=O)N[C@@H](COCCS)C(=O)O dd3ce8af46a6bd7441caa7cfd6acd820 [0,1,0,0,0,0|2,0,0]=3 234 B12R0.120 CC(=O)N[C@H](CNCCBr)C(=O)O cee73a47f109c41a94b2a2d64be3a308 [0,1,0,0,0,0|2,0,0]=3 235 B12R0.120 CC(=O)N[C@H](CNCCF)C(=O)O 11ebee84474ad79dc3c6052ca7c2872b [0,1,0,0,0,0|2,0,0]=3 236 B12R0.120 CC(=O)N[C@H](CNCCI)C(=O)O 1536c19d3dbd1e0db17bb0ca3ef8f156 [0,1,0,0,0,0|2,0,0]=3 237 B12R0.120 CC(=O)N[C@H](CNCCO)C(=O)O 8b3971462f13350d777e038452d5945c [0,1,0,0,0,0|2,0,0]=3 238 B12R0.120 CC(=O)N[C@H](CNCCS)C(=O)O 8a42777c597c77279db46b47f7491b38 [0,1,0,0,0,0|2,0,0]=3 239 B12R0.120 CC(=O)N[C@H](COCC#N)C(=O)O 67b84a9dfdb955f222bf769ae660a1bb [0,1,0,0,0,0|2,0,0]=3 240 B12R0.120 CC(=O)N[C@H](COCC=O)C(=O)O f1aaa44c3518d17a60acb952146c6750 [0,1,0,0,0,0|2,0,0]=3 241 B12R0.120 CC(=O)N[C@H](COCCF)C(=O)O 789abcc55e3c8598115038ee0793a75f [0,1,0,0,0,0|2,0,0]=3 242 B12R0.120 CC(=O)N[C@H](COCCS)C(=O)O c7c84a0c756e3861e1044348f2ca4fc8 [0,1,0,0,0,0|2,0,0]=3 243 B12R0.120 CC(C)N[C@@H](CCCCO)C(=O)O a12bef7fba493cc879f9c2b50a541110 [0,1,0,0,0,0|2,0,1]=4 244 B12R0.120 CC(C)N[C@H](CCCCO)C(=O)O 2a46ac834949503f1d4bef754ded4a05 [0,1,0,0,0,0|2,0,1]=4 245 B12R0.120 CCCCCC(NC(C)C)C(=O)O 5a2f4dc020394f85e07594f97849f009 [0,1,0,0,0,0|2,0,1]=4 246 B12R0.120 CCCCC[C@@H](NC(C)C)C(=O)O 97662b2192b677e5ef6757ac67fc8f06 [0,1,0,0,0,0|2,0,1]=4 247 B12R0.120 CCCCC[C@H](NC(C)C)C(=O)O 9b62efe812c674b75757c85ab788f5c8 [0,1,0,0,0,0|2,0,1]=4 248 B12R0.120 CCCCNC(CC(=O)N)C(=O)O 6adeb0d82fb370a67e9dd47e7f244ca8 [0,1,0,0,0,0|3,0,0]=4 249 B12R0.120 CCCCNC(CC(=O)O)C(=O)O c4042a5dd14467c491ccc7b740ee6d10 [0,1,0,0,0,0|3,0,0]=4 250 B12R0.120 CCCCN[C@@H](CC(=O)N)C(=O)O 9ca5d203757702de008cb94a85b81091 [0,1,0,0,0,0|3,0,0]=4 251 B12R0.120 CCCCN[C@@H](CC(=O)O)C(=O)O 34f1d675737a752c6f4d5585fa14aed4 [0,1,0,0,0,0|3,0,0]=4 252 B12R0.120 CCCCN[C@@H](CS(=O)C)C(=O)O d13e0f48b20ecc9d1b190185c9f5e4f2 [0,1,0,0,0,0|3,0,0]=4 253 B12R0.120 CCCCN[C@H](CC(=O)N)C(=O)O 3e4767856ca8881fee878abf6a2a21fd [0,1,0,0,0,0|3,0,0]=4 254 B12R0.120 CCCCN[C@H](CC(=O)O)C(=O)O 4efe62eb27f987ea36465965cf90637a [0,1,0,0,0,0|3,0,0]=4 255 B12R0.120 CCCCOC(CC(=O)C)C(=O)C 93aacadf0a5f7eb71304e9cd3343faaf [0,1,0,0,0,0|3,0,0]=4 256 B12R0.120 CCCCOC(CC(=O)O)C(=O)O 98e61b6b11d85c31fff86a71e96eb626 [0,1,0,0,0,0|3,0,0]=4 257 B12R0.120 CCCCO[C@@H](CC(=O)O)C(=O)O e748037c3b01d90dab83838437292c4e [0,1,0,0,0,0|3,0,0]=4 258 B12R0.120 CCCCO[C@H](CC(=O)O)C(=O)O bed1373ccf5815718a204d432c4a6786 [0,1,0,0,0,0|3,0,0]=4 259 B12R0.120 CCCNC[C@@H](NC(=O)C)C(=O)O 1a0b1358084a5ab64d19149048cb7461 [0,1,0,0,0,0|1,0,0]=2 260 B12R0.120 CCCNC[C@H](NC(=O)C)C(=O)O ff9a49d0ffe2aa2fc3011eeb02ca882a [0,1,0,0,0,0|1,0,0]=2 261 B12R0.120 CCCOCC(NC(=O)C)C(=O)O 67260ab5800e9b3aadc900543c543357 [0,1,0,0,0,0|1,0,0]=2 262 B12R0.120 CCCOC[C@@H](NC(=O)C)C(=O)O edf79d90025eb37e75042b42bd15383c [0,1,0,0,0,0|1,0,0]=2 263 B12R0.120 CCCOC[C@H](NC(=O)C)C(=O)O e15360a8b5b1c56069ff3cdde63ad76e [0,1,0,0,0,0|1,0,0]=2 264 B12R0.120 CCCSCC(NC(C)C)C(=O)O 666f455eaf653a6894e769eca7087f88 [0,1,0,0,0,0|2,0,1]=4 265 B12R0.120 CCOCCC(NC(=O)C)C(=O)O 78488030ef5f02484d168f43a9295ed6 [0,1,0,0,0,0|0,1,0]=2 266 B12R0.120 CCOCC[C@H](NC(C)C)C(=O)O 076d7ec14547d5d14a3a2d7c44b5bfc7 [0,1,0,0,0,0|1,1,1]=4 267 B12R0.120 CCSCCC(NC(C)C)C(=O)O b1e6c41a969989630dde025c0e515f3b [0,1,0,0,0,0|1,0,1]=3 268 B12R0.120 CCSCC[C@@H](NC(C)C)C(=O)O e2c61f8d7259d5d25f3f9d106454e57f [0,1,0,0,0,0|1,0,1]=3 269 B12R0.120 CCSCC[C@H](NC(C)C)C(=O)O 90843515084dbc3d0da46fdaa4b99aee [0,1,0,0,0,0|1,0,1]=3 270 B12R0.120 COCCNC(CC(=O)N)C(=O)O 86c3f857fa2600d73d80256bf7d40e9b [0,1,0,0,0,0|2,1,0]=4 271 B12R0.120 COCCNC(CC(=O)O)C(=O)O 70227aca57f4648e05218f0601115338 [0,1,0,0,0,0|2,1,0]=4 272 B12R0.120 COCCN[C@@H](CC(=O)N)C(=O)O 064a73c761668e65c18de3a93352638c [0,1,0,0,0,0|2,1,0]=4 273 B12R0.120 COCCN[C@@H](CC(=O)O)C(=O)O 4e67d09eead207bece92227e6ab106e1 [0,1,0,0,0,0|2,1,0]=4 274 B12R0.120 COCCN[C@@H](CS(=O)C)C(=O)O 8c6096ec0425e791ff473eeffac66ede [0,1,0,0,0,0|2,1,0]=4 275 B12R0.120 COCCN[C@H](CC(=O)N)C(=O)O 79042558eb5ff916573eae134b8a146b [0,1,0,0,0,0|2,1,0]=4 276 B12R0.120 COCCN[C@H](CC(=O)O)C(=O)O 6e980472d87779b0558e79ffcb87f2d2 [0,1,0,0,0,0|2,1,0]=4 277 B12R0.120 COCCOC(CC(=O)C)C(=O)C 79f9a58076642936712eb74f4219d344 [0,1,0,0,0,0|2,1,0]=4 278 B12R0.120 COCCOC(CC(=O)O)C(=O)O c90d42c0fe4a84c6ef2fbdf433bd32c2 [0,1,0,0,0,0|2,1,0]=4 279 B12R0.120 COCCO[C@@H](CC(=O)O)C(=O)O 0585bf2cd55258eec9cb7c4c65f4990d [0,1,0,0,0,0|2,1,0]=4 280 B12R0.120 COCCO[C@H](CC(=O)O)C(=O)O d259a06b0a57e0b076b47b2cbfdbb759 [0,1,0,0,0,0|2,1,0]=4 281 B12R0.120 COCOCC(NC(=O)C)C(=O)O 333ec6507795b761ce7bd6633d89be0b [0,1,0,0,0,0|0,1,0]=2 282 B12R0.120 COCOC[C@@H](NC(=O)C)C(=O)O 3df2cda787d2f5bffc2adbc2fde6d15f [0,1,0,0,0,0|0,1,0]=2 283 B12R0.120 COCOC[C@H](NC(=O)C)C(=O)O 580fcbeaff0b1bc5be8ada1ce8cf4499 [0,1,0,0,0,0|0,1,0]=2 284 B12R0.120 CSCCCC(NC(C)C)C(=O)O 43f7ed203485cab259d9ddd0b8389c66 [0,1,0,0,0,0|1,0,1]=3 285 B12R0.120 CSCCC[C@@H](NC(C)C)C(=O)O 3c6a6c8ddb40e1452a9599d5d693e639 [0,1,0,0,0,0|1,0,1]=3 286 B12R0.120 CSCCC[C@H](NC(C)C)C(=O)O 0144e316a19e1cb0ceeb83e5df95a3c1 [0,1,0,0,0,0|1,0,1]=3 287 B12R0.120 CSCCNC(CC(=O)N)C(=O)O 2281ce1f9a1a1a2db6e99b6d23af1299 [0,1,0,0,0,0|2,0,0]=3 288 B12R0.120 CSCCNC(CC(=O)O)C(=O)N 8c0cd6534c66c68a47705f10b6fd2dbd [0,1,0,0,0,0|3,0,0]=4 289 B12R0.120 CSCCNC(CC(=O)O)C(=O)O 4c41f8f98d9c2665debf9cc3cd4fadde [0,1,0,0,0,0|2,0,0]=3 290 B12R0.120 CSCCNC(CC(C)C)C(=O)O f9026024d65d257336d047df5f070442 [0,1,0,0,0,0|2,0,1]=4 291 B12R0.120 CSCCN[C@@H](CC(=O)N)C(=O)N b5fc88fdb1c65411ed0dd3f040dc1c6e [0,1,0,0,0,0|3,0,0]=4 292 B12R0.120 CSCCN[C@@H](CC(=O)N)C(=O)O 2a4b771c19df5a3b11a49ab5d93abf75 [0,1,0,0,0,0|2,0,0]=3 293 B12R0.120 CSCCN[C@@H](CC(=O)O)C(=O)O 957b480b2b9dee118b95abe708ce903b [0,1,0,0,0,0|2,0,0]=3 294 B12R0.120 CSCCN[C@@H](CC(C)C)C(=O)O 1c5c064d73cb8889e873c64fe1a32881 [0,1,0,0,0,0|2,0,1]=4 295 B12R0.120 CSCCN[C@@H](CS(=O)C)C(=O)O c3772ed5a63131fae45a0a41e0961bf1 [0,1,0,0,0,0|2,0,0]=3 296 B12R0.120 CSCCN[C@@H](CS(=O)O)C(=O)O 70121dc7b554615b595bb5e6314f6e61 [0,1,0,0,0,0|3,0,0]=4 297 B12R0.120 CSCCN[C@H](CC(=O)N)C(=O)N 7f5c18704340422afd655876c6b9c091 [0,1,0,0,0,0|3,0,0]=4 298 B12R0.120 CSCCN[C@H](CC(=O)N)C(=O)O 0cd89508af94644b226e5e08156ab0ed [0,1,0,0,0,0|2,0,0]=3 299 B12R0.120 CSCCN[C@H](CC(=O)O)C(=O)N 92ce37e58687b71139c480720a71c2e5 [0,1,0,0,0,0|3,0,0]=4 300 B12R0.120 CSCCN[C@H](CC(=O)O)C(=O)O d31e64fc1456e34caeeefc05532c8562 [0,1,0,0,0,0|2,0,0]=3 301 B12R0.120 CSCCN[C@H](CC(C)C)C(=O)O ac2358354c4eb6eb6a4355d4e8dfee1b [0,1,0,0,0,0|2,0,1]=4 302 B12R0.120 CSCCOC(CC(=O)C)C(=O)C bdaca9cb181d235c0a7a591d3e1eadf0 [0,1,0,0,0,0|2,0,0]=3 303 B12R0.120 CSCCOC(CC(=O)O)C(=O)O c09ee5e11fa75cf7a10c60ca985246af [0,1,0,0,0,0|2,0,0]=3 304 B12R0.120 CSCCOC(CC(C)C)C(=O)O 28d8b689e3e23e3433460f483c965ad0 [0,1,0,0,0,0|2,0,1]=4 305 B12R0.120 CSCCO[C@@H](CC(=O)O)C(=O)O 00ec8db12695d537fbc0647a542dd7f8 [0,1,0,0,0,0|2,0,0]=3 306 B12R0.120 CSCCO[C@@H](CC(C)C)C(=O)O 29510ec66c22c2d6e81b17ba795f9427 [0,1,0,0,0,0|2,0,1]=4 307 B12R0.120 CSCCO[C@H](CC(=O)O)C(=O)O 43ae65f4384c0a88f69c254aeb7f4604 [0,1,0,0,0,0|2,0,0]=3 308 B12R0.120 CSCCO[C@H](CC(C)C)C(=O)O 44b23c86bb6762d697e618884f13d7c8 [0,1,0,0,0,0|2,0,1]=4 309 B12R0.120 CSCNCC(CC(C)C)C(=O)O 9a201262f0fe8c7dc7431f4306be757b [0,1,0,0,0,0|2,0,1]=4 310 B12R0.120 CSCNC[C@@H](CC(C)C)C(=O)O 3133c28ce794bb1381308640b48cb972 [0,1,0,0,0,0|2,0,1]=4 311 B12R0.120 CSCNC[C@H](CC(C)C)C(=O)O 884a625653f26447ab3cca79b22e3585 [0,1,0,0,0,0|2,0,1]=4 312 B12R0.120 CSCOCC(NC(=O)C)C(=O)O 6feb0f2aa3364baa36cedeb84cc10e68 [0,1,0,0,0,0|0,0,0]=1 313 B12R0.120 CSCOC[C@@H](NC(=O)C)C(=O)O 887f4d114e1e5a53c95d4b96adf46fad [0,1,0,0,0,0|0,0,0]=1 314 B12R0.120 CSCOC[C@H](NC(=O)C)C(=O)O 86c5b917581218fb0741e5a38afc5cb2 [0,1,0,0,0,0|0,0,0]=1 315 B12R0.128 CSCC[C@@H](NC(=O)C)C(C)(C)O 09d176047bbb2dc9c16726efaae99559 [0,1,0,0,0,0|1,0,1]=3 316 B12R0.129 C#CC(=O)NC(CCCC)C(=O)N 24941b7f3c1be291c53409977503eb57 [0,1,0,0,0,0|2,0,1]=4 317 B12R0.129 C#CC(=O)N[C@@H](CCSC)C(=O)N 7bc133eaeb21474febf6d01400dcd007 [0,1,0,0,0,0|1,0,1]=3 318 B12R0.129 C#CC(C)NC(CCCC)C(=O)O a692675abbd8493748da05d2fab0361b [0,1,0,0,0,0|2,0,1]=4 319 B12R0.129 C#CC(C)NC(CCSC)C(=O)O 13b793c48ae315dd9f840ead713e558d [0,1,0,0,0,0|1,0,1]=3 320 B12R0.129 C#CC(C)N[C@@H](CCSC)C(=O)N 36eae11368bb70de82e624c5f945ceba [0,1,0,0,0,0|2,0,1]=4 321 B12R0.129 C#CC(C)N[C@@H](CCSC)C(=O)O 19293e78a70472fb34955a5c100b8867 [0,1,0,0,0,0|1,0,1]=3 322 B12R0.129 C#CC(C)N[C@H](CCSC)C(=O)O a9397a284f589002116247d6eb09cad3 [0,1,0,0,0,0|1,0,1]=3 323 B12R0.129 C#CCCC(NC(C)C=O)C(=O)O c379957800cd3bdf0897781d17283d50 [0,1,0,0,0,0|1,0,2]=4 324 B12R0.129 C#CCCC(N[C@H](C)C=O)C(=O)O e5b344ca362fc3357a63b78554a093cb [0,1,0,0,0,0|1,0,2]=4 325 B12R0.129 C#CCC[C@@H](NC(C)C=O)C(=O)O 73a7b195cdeff6c8aee9cac82ab62728 [0,1,0,0,0,0|1,0,2]=4 326 B12R0.129 C#CCC[C@@H](N[C@H](C)C=O)C(=O)O a543421a34281892c875b97a63cd11fb [0,1,0,0,0,0|1,0,2]=4 327 B12R0.129 C#CCC[C@H](NC(C)C=O)C(=O)O 18b8fdba763fb88c0c94c0c4e41db034 [0,1,0,0,0,0|1,0,2]=4 328 B12R0.129 C#CCC[C@H](N[C@H](C)C=O)C(=O)O ea0abeec4be514f4524b258aa298574a [0,1,0,0,0,0|1,0,2]=4 329 B12R0.129 C#C[C@@H](C)NC(CCCC)C(=O)O 6ef3cafe607c0689d66a8bd3447b213e [0,1,0,0,0,0|2,0,1]=4 330 B12R0.129 C#C[C@H](C)NC(CCCC)C(=O)O e43bf9dbf5e82a327b1e0940dbc5d500 [0,1,0,0,0,0|2,0,1]=4 331 B12R0.129 C=C(C=O)OC(CCCC)C(=O)O a9021e91ac87fd9c6fdbefac5c6b6807 [0,1,0,0,0,0|2,0,1]=4 332 B12R0.129 C=CC(=O)NC(CCCC)C(=O)N fa2c3fd997a1ecb79a01b4fa4f6f976b [0,1,0,0,0,0|2,0,1]=4 333 B12R0.129 C=CC(=O)N[C@@H](CCSC)C(=O)N 96109aa5662aa9aa7e17ab087958574c [0,1,0,0,0,0|1,0,1]=3 334 B12R0.129 C=CC(C)NC(CCCC)C(=O)O 1f3a68791184efc05c0355ce95212e19 [0,1,0,0,0,0|2,0,1]=4 335 B12R0.129 C=CC(C)NC(CCSC)C(=O)O 7e8d4345fcae9e0f96d1711139388759 [0,1,0,0,0,0|1,0,1]=3 336 B12R0.129 C=CC(C)N[C@@H](CCCC)C(=O)O 6a4c4c77b6e5c31748cb2855b5655647 [0,1,0,0,0,0|2,0,1]=4 337 B12R0.129 C=CC(C)N[C@@H](CCOC)C(=O)O e8cb6bfd42eb3f85db4aca9e4e546e10 [0,1,0,0,0,0|1,1,1]=4 338 B12R0.129 C=CC(C)N[C@@H](CCSC)C(=O)N e9fb18ec4aecddb2f1822fb3adc37e69 [0,1,0,0,0,0|2,0,1]=4 339 B12R0.129 C=CC(C)N[C@@H](CCSC)C(=O)O 6b97b5037dda6768fa14efaf4488d77e [0,1,0,0,0,0|1,0,1]=3 340 B12R0.129 C=CC(C)N[C@H](CCCC)C(=O)O 414a96b9dcd5635896d415c9ca37f25f [0,1,0,0,0,0|2,0,1]=4 341 B12R0.129 C=CC(C)N[C@H](CCSC)C(=O)O cad7b67e78f5596f42397d98b4cb112a [0,1,0,0,0,0|1,0,1]=3 342 B12R0.129 C=CC(C)OC(CCSC)C(=O)O ab9ed84a17d3ca0154bdd4f5ec3f3248 [0,1,0,0,0,0|2,0,1]=4 343 B12R0.129 C=CCCC(NC(C)C=O)C(=O)O 4d58c318aeda209d2d7f19c144f35fbf [0,1,0,0,0,0|1,0,2]=4 344 B12R0.129 C=CCCC(N[C@H](C)C=O)C(=O)O 7fa05289cb5933ae16be75a22c7bfc72 [0,1,0,0,0,0|1,0,2]=4 345 B12R0.129 C=CCC[C@@H](NC(C)C=O)C(=O)O b0c838b3688423c026c2b462bd2a9c3a [0,1,0,0,0,0|1,0,2]=4 346 B12R0.129 C=CCC[C@@H](N[C@H](C)C=O)C(=O)O 1af3907ea40165c5a067d6c87d99637f [0,1,0,0,0,0|1,0,2]=4 347 B12R0.129 C=CCC[C@H](NC(C)C=O)C(=O)O 8b4612a5e054ea045a20784ac1b15bfe [0,1,0,0,0,0|1,0,2]=4 348 B12R0.129 C=CCC[C@H](N[C@H](C)C=O)C(=O)O 45c0ca02bef7407301a838d255a26196 [0,1,0,0,0,0|1,0,2]=4 349 B12R0.129 CC#CC[C@@H](NC(C)C=O)C(=O)O b134c3bf35dfa3c4bd66adee33c9ed7a [0,1,0,0,0,0|1,0,2]=4 350 B12R0.129 CC#CC[C@@H](N[C@H](C)C=O)C(=O)O 5f6539a7fe60659ff9318c7f9ebdac6a [0,1,0,0,0,0|1,0,2]=4 351 B12R0.129 CC#CC[C@H](NC(C)C=O)C(=O)O f1648c701033b0f33166937beed9bada [0,1,0,0,0,0|1,0,2]=4 352 B12R0.129 CC#CC[C@H](N[C@H](C)C=O)C(=O)O 0cf9b986303b9cb047f2a0c3a4b1f92b [0,1,0,0,0,0|1,0,2]=4 353 B12R0.129 CC(C=O)N[C@@H](CCCO)C(=O)O 33712c34eb31267d03ac600a70502721 [0,1,0,0,0,0|2,0,1]=4 354 B12R0.129 CC(C=O)N[C@H](CCCO)C(=O)O 867a8080fdf9cf82649048016c6a1eae [0,1,0,0,0,0|2,0,1]=4 355 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N f7ac2a990a92b5102a30d8605e255563 [0,1,0,0,0,0|1,0,0]=2 356 B12R0.129 CCC(C)NC(CCSC)C(=O)O bd6c1113289561bdb282c62c7d6f263f [0,1,0,0,0,0|1,0,1]=3 357 B12R0.129 CCC(C)N[C@@H](CCOC)C(=O)O 54d6f876912d4df171a360a03cdfb29f [0,1,0,0,0,0|1,1,1]=4 358 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)N b58ac06805b74b830a1e8b1615913a10 [0,1,0,0,0,0|2,0,1]=4 359 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)O 76d291fc9a34c31781b62eef0b7ec984 [0,1,0,0,0,0|1,0,1]=3 360 B12R0.129 CCC(C)N[C@H](CCSC)C(=O)O caa0cba9dd1c73c291cc4a4d115727a0 [0,1,0,0,0,0|1,0,1]=3 361 B12R0.129 CCC(C)OC(CCSC)C(=O)O 9b147d1588e167adc726332bd83cc0ee [0,1,0,0,0,0|2,0,1]=4 362 B12R0.129 CCCCC(NC(=O)C=O)C(=O)N 3f24adf20399100270cdabcbb2329442 [0,1,0,0,0,0|2,0,1]=4 363 B12R0.129 CCCCC(NC(=O)CC)C(=O)N b0187ac146a7b1176fc37f3b7378eb15 [0,1,0,0,0,0|2,0,0]=3 364 B12R0.129 CCCCC(NC(=O)CF)C(=O)N 612000032bf9eb0e928fa90990ec2c74 [0,1,0,0,0,0|2,0,0]=3 365 B12R0.129 CCCCC(NC(=O)CO)C(=O)N 138df7f685cbd8e999908bf0f24c20dd [0,1,0,0,0,0|2,0,0]=3 366 B12R0.129 CCCCC(NC(=O)CS)C(=O)N 518316fc83db57c6fcf74101d30591ab [0,1,0,0,0,0|2,0,0]=3 367 B12R0.129 CCCCC(NC(C)C#N)C(=O)O 441695c806238307d4e03d11e490e675 [0,1,0,0,0,0|2,0,1]=4 368 B12R0.129 CCCCC(NC(C)C=O)C(=O)N 00f45ed8c5abcaf875cc30d4a7d94ecb [0,1,0,0,0,0|2,0,1]=4 369 B12R0.129 CCCCC(NC(C)C=O)C(=O)O c4fe60cb5703914b0c28da058a51ee68 [0,1,0,0,0,0|1,0,1]=3 370 B12R0.129 CCCCC(NC(C)CC)C(=O)O e057aff2060eba3cd9e11a9125a34d8e [0,1,0,0,0,0|2,0,1]=4 371 B12R0.129 CCCCC(NC(C)CO)C(=O)O 76cacff2fb933913f67ba6bedc557e90 [0,1,0,0,0,0|1,0,2]=4 372 B12R0.129 CCCCC(N[C@@H](C)CO)C(=O)O cef2100aef7aecf95f7e70197c7633f4 [0,1,0,0,0,0|1,0,2]=4 373 B12R0.129 CCCCC(N[C@H](C)C=O)C(=O)N 66d307e5a2f73f1ccb1e7b7b057e73c5 [0,1,0,0,0,0|2,0,1]=4 374 B12R0.129 CCCCC(N[C@H](C)C=O)C(=O)O d6d265a9aeb8e2f639ff6cef1e554102 [0,1,0,0,0,0|1,0,1]=3 375 B12R0.129 CCCCC(N[C@H](C)CO)C(=O)O 3bdc233d9e481013292176b9e1495d0a [0,1,0,0,0,0|1,0,2]=4 376 B12R0.129 CCCCC(OC(C)C=O)C(=O)O 54a8a6675595e4923fb55ad92596975d [0,1,0,0,0,0|2,0,1]=4 377 B12R0.129 CCCCC(O[C@H](C)C=O)C(=O)O 77599415081ff3ec0c7dd6aafc01ecf5 [0,1,0,0,0,0|2,0,1]=4 378 B12R0.129 CCCC[C@@H](NC(C)C=O)C(=O)O 923ac12d7174d9ba5d60bb9f6aac4626 [0,1,0,0,0,0|1,0,1]=3 379 B12R0.129 CCCC[C@@H](NC(C)CC)C(=O)O df72132e7cfc7e99b76418e5fbb1d1a1 [0,1,0,0,0,0|2,0,1]=4 380 B12R0.129 CCCC[C@@H](NC(C)CO)C(=O)O 3a42b403a3b5936a8de493b1c429a58b [0,1,0,0,0,0|1,0,2]=4 381 B12R0.129 CCCC[C@@H](N[C@@H](C)CO)C(=O)O c3cd57b839e9796fd64458f85d749fb1 [0,1,0,0,0,0|1,0,2]=4 382 B12R0.129 CCCC[C@@H](N[C@H](C)C=O)C(=O)O 452a9e01c83372f0e1c6c904bf6b0e9b [0,1,0,0,0,0|1,0,1]=3 383 B12R0.129 CCCC[C@@H](N[C@H](C)CO)C(=O)O 70d77c0817ee0c2851739fc13e65c8c3 [0,1,0,0,0,0|1,0,2]=4 384 B12R0.129 CCCC[C@@H](OC(C)C=O)C(=O)O b91d3362edfc03026fdda317af4a440a [0,1,0,0,0,0|2,0,1]=4 385 B12R0.129 CCCC[C@@H](O[C@H](C)C=O)C(=O)O c9eff99dc46952d6b58848325c8f25f0 [0,1,0,0,0,0|2,0,1]=4 386 B12R0.129 CCCC[C@H](NC(C)C=O)C(=O)O c7fc22d8428e7fb5b6a7f4299d029a2d [0,1,0,0,0,0|1,0,1]=3 387 B12R0.129 CCCC[C@H](NC(C)CC)C(=O)O 80fdd64a0e4b8365f9f3f53363b45643 [0,1,0,0,0,0|2,0,1]=4 388 B12R0.129 CCCC[C@H](NC(C)CO)C(=O)O 55462598b118a0cd7c241592123b5784 [0,1,0,0,0,0|1,0,2]=4 389 B12R0.129 CCCC[C@H](N[C@@H](C)CO)C(=O)O 01635a2af718f19102c325ca646490bc [0,1,0,0,0,0|1,0,2]=4 390 B12R0.129 CCCC[C@H](N[C@H](C)C=O)C(=O)O 944b1ee70c82d22ecb23c373e3932950 [0,1,0,0,0,0|1,0,1]=3 391 B12R0.129 CCCC[C@H](N[C@H](C)CO)C(=O)O 5c9acb51a079de3609850d9069686281 [0,1,0,0,0,0|1,0,2]=4 392 B12R0.129 CCCC[C@H](OC(C)C=O)C(=O)O 94a3c223ae8a3f9f879490bfc705ab56 [0,1,0,0,0,0|2,0,1]=4 393 B12R0.129 CCCC[C@H](O[C@H](C)C=O)C(=O)O 6e8a597d110fbf874a12c56457d463c2 [0,1,0,0,0,0|2,0,1]=4 394 B12R0.129 CCCNC(CC(=O)NC)C(=O)O 5eb23fef65b202ac542f3917069aefb1 [0,1,0,0,0,0|3,0,0]=4 395 B12R0.129 CCCNC(CC(=O)OC)C(=O)O ceb307b9be8519bf498e025033656af4 [0,1,0,0,0,0|3,0,0]=4 396 B12R0.129 CCCN[C@@H](CC(=O)NC)C(=O)O c9255a5f7b85b55c79dd1123d04dd630 [0,1,0,0,0,0|3,0,0]=4 397 B12R0.129 CCCN[C@@H](CC(=O)OC)C(=O)O e759fabc1c3180436ba917fa37556f38 [0,1,0,0,0,0|3,0,0]=4 398 B12R0.129 CCCN[C@H](CC(=O)NC)C(=O)O efcadd45cc7dd40eb84ad969d5e4a1f1 [0,1,0,0,0,0|3,0,0]=4 399 B12R0.129 CCCN[C@H](CC(=O)OC)C(=O)O af0b8d58f5586d969a9cb44e1327bd8a [0,1,0,0,0,0|3,0,0]=4 400 B12R0.129 CCCO[C@H](CC(=O)OC)C(=O)O ed277fbdf7e69b8f440b24bdd28f04b3 [0,1,0,0,0,0|3,0,0]=4 401 B12R0.129 CNC(=O)CC(NCOC)C(=O)O 6b58f55ce60bb5f34a47d8b1512d77b8 [0,1,0,0,0,0|2,1,0]=4 402 B12R0.129 CNC(=O)CC(NCSC)C(=O)O 8735dac2abd3a756a4d939432ecd1254 [0,1,0,0,0,0|2,0,0]=3 403 B12R0.129 CNC(=O)C[C@@H](NCOC)C(=O)O f75e3d89cbd02b863c89bad98f5ed179 [0,1,0,0,0,0|2,1,0]=4 404 B12R0.129 CNC(=O)C[C@@H](NCSC)C(=O)O 7efaff6860c9f7b9578ae60b92558228 [0,1,0,0,0,0|2,0,0]=3 405 B12R0.129 CNC(=O)C[C@H](NCOC)C(=O)O 2909c02e6f7720ca958dee03d312c9c4 [0,1,0,0,0,0|2,1,0]=4 406 B12R0.129 CNC(=O)C[C@H](NCSC)C(=O)O 1243f4fd371894a437b794858c838d48 [0,1,0,0,0,0|2,0,0]=3 407 B12R0.129 COC(=O)CC(NCSC)C(=O)O afde7d17c12772d95059dceae89a072f [0,1,0,0,0,0|2,0,0]=3 408 B12R0.129 COC(=O)CN(CCSC)C(=O)C 54a97f3fb96fda8ed39c71279abb5fe3 [0,1,0,0,0,0|3,0,0]=4 409 B12R0.129 COC(=O)C[C@@H](NCSC)C(=O)O 86145040eb28e50c50781c2ded5b5fca [0,1,0,0,0,0|2,0,0]=3 410 B12R0.129 COC(=O)C[C@@H](OCSC)C(=O)O 3850cc80ed43dd5822ea6298fac55050 [0,1,0,0,0,0|2,0,0]=3 411 B12R0.129 COC(=O)C[C@H](NCSC)C(=O)O 2df80fdb6e0fe5de5c2ef20325292687 [0,1,0,0,0,0|2,0,0]=3 412 B12R0.129 COCC[C@H](NC(C)C=O)C(=O)O c4fbf6d8f6a4cf4fa4d4e613d3592e7b [0,1,0,0,0,0|0,1,1]=3 413 B12R0.129 COCC[C@H](NC(C)CO)C(=O)O e720b7e7a7cdb8d2fd3d2b426e3a2e1f [0,1,0,0,0,0|0,1,2]=4 414 B12R0.129 COCC[C@H](N[C@@H](C)CO)C(=O)O 1ab034732e19f5351d8de99694f02476 [0,1,0,0,0,0|0,1,2]=4 415 B12R0.129 COCC[C@H](N[C@H](C)C=O)C(=O)O 4b747adb1eaac2de877f4edb96552fbc [0,1,0,0,0,0|0,1,1]=3 416 B12R0.129 COCC[C@H](N[C@H](C)CO)C(=O)O 12a65687ba07f6f858530289b0b9ca7b [0,1,0,0,0,0|0,1,2]=4 417 B12R0.129 COCNC(CC(=O)OC)C(=O)O e6c10a43f1b344d011ac80c6b6869337 [0,1,0,0,0,0|2,1,0]=4 418 B12R0.129 COCN[C@@H](CC(=O)OC)C(=O)O fad41b544f2e398014e5011f896e1099 [0,1,0,0,0,0|2,1,0]=4 419 B12R0.129 COCN[C@H](CC(=O)OC)C(=O)O 788353ca773c3765defe0012544bfba5 [0,1,0,0,0,0|2,1,0]=4 420 B12R0.129 CSCCC(NC(C)C=O)C(=O)O 43e11f25e34bc81dd83d527f3d28b8fd [0,1,0,0,0,0|0,0,1]=2 421 B12R0.129 CSCCC(NC(C)CO)C(=O)O ed597234181dfacf0354e6e218040655 [0,1,0,0,0,0|0,0,2]=3 422 B12R0.129 CSCCC(N[C@@H](C)CO)C(=O)O a97bb92aa1010a7741110daed81989f7 [0,1,0,0,0,0|0,0,2]=3 423 B12R0.129 CSCCC(N[C@H](C)C=O)C(=O)O 603ca541bcf93ab89f86eadeedb81214 [0,1,0,0,0,0|0,0,1]=2 424 B12R0.129 CSCCC(N[C@H](C)CO)C(=O)O 69c5ff4433192fe6ad00b8a779fa9364 [0,1,0,0,0,0|0,0,2]=3 425 B12R0.129 CSCCC(OC(C)C=O)C(=O)N 537f4dadd84f93ff12afc48df9b14a46 [0,1,0,0,0,0|2,0,1]=4 426 B12R0.129 CSCCC(OC(C)C=O)C(=O)O 95c71a1b4cbc05d2d66e499262347b8d [0,1,0,0,0,0|1,0,1]=3 427 B12R0.129 CSCCC(O[C@H](C)C=O)C(=O)N b94ad2d7abd9df4cc835a9cb7087779c [0,1,0,0,0,0|2,0,1]=4 428 B12R0.129 CSCCC(O[C@H](C)C=O)C(=O)O 8eaac5a37a54204c345f868552bb7061 [0,1,0,0,0,0|1,0,1]=3 429 B12R0.129 CSCC[C@@H](NC(C)C=O)C(=O)O 530987ff26cb112a47e6bd73dfa7f464 [0,1,0,0,0,0|0,0,1]=2 430 B12R0.129 CSCC[C@@H](NC(C)CO)C(=O)O d97e283da6eaa64a10a71c907545234c [0,1,0,0,0,0|0,0,2]=3 431 B12R0.129 CSCC[C@@H](N[C@@H](C)CO)C(=O)O b32a9bafe897eeefe0379904fe975c4d [0,1,0,0,0,0|0,0,2]=3 432 B12R0.129 CSCC[C@@H](N[C@H](C)C=O)C(=O)O 6e8262475e62f40d883002d0373bdbe9 [0,1,0,0,0,0|0,0,1]=2 433 B12R0.129 CSCC[C@@H](N[C@H](C)CO)C(=O)O 65ecb451e942ed88e295aad8e436781a [0,1,0,0,0,0|0,0,2]=3 434 B12R0.129 CSCC[C@H](NC(=O)C=O)C(=O)N 083aedc58f631467ebbca1f38de055ef [0,1,0,0,0,0|1,0,1]=3 435 B12R0.129 CSCC[C@H](NC(=O)CF)C(=O)N 87431e9dff3aa08b8610d8fae3e4f26f [0,1,0,0,0,0|1,0,0]=2 436 B12R0.129 CSCC[C@H](NC(=O)CO)C(=O)N de769ba2f782e79d5c56182be6f0b2fd [0,1,0,0,0,0|1,0,0]=2 437 B12R0.129 CSCC[C@H](NC(=O)CS)C(=O)N d6517d543168a42eea91484ce0efd528 [0,1,0,0,0,0|1,0,0]=2 438 B12R0.129 CSCC[C@H](NC(C)C#N)C(=O)N d9e991048da46e33582d2bc038f82c5d [0,1,0,0,0,0|2,0,1]=4 439 B12R0.129 CSCC[C@H](NC(C)C=O)C(=O)N d1fed0cf290f9f1455fe975dfe0ff55b [0,1,0,0,0,0|1,0,1]=3 440 B12R0.129 CSCC[C@H](NC(C)C=O)C(=O)O 3833cffc16a23c1f582263c0d57e760a [0,1,0,0,0,0|0,0,1]=2 441 B12R0.129 CSCC[C@H](NC(C)CO)C(=O)N 34fef0beb05e6f0812d9d8947c469527 [0,1,0,0,0,0|1,0,2]=4 442 B12R0.129 CSCC[C@H](NC(C)CO)C(=O)O 22d6e9ff59138f6db07142345ac32469 [0,1,0,0,0,0|0,0,2]=3 443 B12R0.129 CSCC[C@H](N[C@@H](C)CO)C(=O)N b2f419452a0109e347401c955d1e3e6e [0,1,0,0,0,0|1,0,2]=4 444 B12R0.129 CSCC[C@H](N[C@@H](C)CO)C(=O)O e18e2e58a9b9dcda1ed927fef41db2d5 [0,1,0,0,0,0|0,0,2]=3 445 B12R0.129 CSCC[C@H](N[C@H](C)C=O)C(=O)N 38b57d96ab43812e7099b2c4e55ffbb3 [0,1,0,0,0,0|1,0,1]=3 446 B12R0.129 CSCC[C@H](N[C@H](C)C=O)C(=O)O 96d75460e8be39b287eb370e3ab93aa7 [0,1,0,0,0,0|0,0,1]=2 447 B12R0.129 CSCC[C@H](N[C@H](C)CO)C(=O)N b8e7f0d4ecc560681c970dd6064b41bd [0,1,0,0,0,0|1,0,2]=4 448 B12R0.129 CSCC[C@H](N[C@H](C)CO)C(=O)O 5160f5bb64c29921ae48a4b255ccc685 [0,1,0,0,0,0|0,0,2]=3 449 B12R0.129 CSCN[C@@H](CC(=O)NO)C(=O)O 1369e5ee0e1ab975bc59c84a4cb936b1 [0,1,0,0,0,0|3,0,0]=4 450 B12R0.129 C[C@H](C=O)N[C@@H](CCCO)C(=O)O af7a52768d9effc08ee7465a74075733 [0,1,0,0,0,0|2,0,1]=4 451 B12R0.129 C[C@H](C=O)N[C@H](CCCO)C(=O)O ad7c2d756f1121b056f78511a9c9ae7d [0,1,0,0,0,0|2,0,1]=4 452 B12R0.138 C=C(C)CC[C@@H](NC(C)C)C(=O)O ef5e09cace874b1b28a02e2591de622a [0,1,0,0,0,0|2,0,1]=4 453 B12R0.138 C=C(C)CC[C@H](NC(C)C)C(=O)O 2dc0d3b271f9e7c1f2e81e9e22e41e28 [0,1,0,0,0,0|2,0,1]=4 454 B12R0.138 CC(=O)NC(CCS(=O)C)C(=O)N ffc9ae9546d269265f5333f411217576 [0,1,0,0,0,0|1,0,1]=3 455 B12R0.138 CC(=O)NC(COC(C)C)C(=O)O 224b253a0b59cb6a4b1569ede558534c [0,1,0,0,0,0|2,0,0]=3 456 B12R0.138 CC(=O)N[C@@H](COC(C)C)C(=O)O 8e1b38039e33e4f574a062ae20b75c50 [0,1,0,0,0,0|2,0,0]=3 457 B12R0.138 CC(=O)N[C@H](COC(C)C)C(=O)O b02deef67ce3b031f737075cdad6f353 [0,1,0,0,0,0|2,0,0]=3 458 B12R0.138 CC(C)CCC(NC(C)C)C(=O)O 46563e8572c798d4054bc0d2d073f36c [0,1,0,0,0,0|2,0,1]=4 459 B12R0.138 CC(C)CC[C@@H](NC(C)C)C(=O)O 936faa9d891b20df23b4a7c7ad88ec05 [0,1,0,0,0,0|2,0,1]=4 460 B12R0.138 CC(C)CC[C@H](NC(C)C)C(=O)O 270bf363ed857d65ccfca18ba94a57ff [0,1,0,0,0,0|2,0,1]=4 461 B12R0.138 CC(C)NC(CCS(=O)C)C(=O)O 3f76ceb75a7386c5a33cda2db23761bb [0,1,0,0,0,0|1,0,2]=4 462 B12R0.138 CC(C)N[C@@H](CCS(=O)C)C(=O)O 673b80f41c643418c6ce315f5abbd003 [0,1,0,0,0,0|1,0,2]=4 463 B12R0.138 CC(C)N[C@H](CCS(=O)C)C(=O)O 283fff27b2dfbfa099040ff6fd0906c3 [0,1,0,0,0,0|1,0,2]=4 464 B12R0.151 CC(=O)NC(CN(C)CF)C(=O)O e0c2a8b2e37316bf7527a8c00e1c14de [0,1,0,0,0,0|3,0,0]=4 465 B12R0.151 CC(=O)NC(CN(C)CO)C(=O)O b18666ef42ed5117987e6a708a9eb0d6 [0,1,0,0,0,0|3,0,0]=4 466 B12R0.151 CCC(C)CC(NC(C)C)C(=O)O 1a1f03e7bbeb41227cf8487523bdc49f [0,1,0,0,0,0|2,0,1]=4 467 B12R0.151 CCN(C)CC(NC(=O)C)C(=O)O 95ecd9ab6ccb998ed0fb4b95dca1fe1c [0,1,0,0,0,0|2,0,0]=3 468 B12R0.151 CCN(C)C[C@@H](NC(=O)C)C(=O)O 168474f4a607f7107b1f3269af5b8184 [0,1,0,0,0,0|2,0,0]=3 469 B12R0.151 CCN(C)C[C@H](NC(=O)C)C(=O)O 15e983f8956075631d53471d83d54baa [0,1,0,0,0,0|2,0,0]=3 470 B12R0.247 CCOCC(NC(=O)C)C(=O)OC 84b2fcd380a801e443c6ec91d9d88c08 [0,1,0,0,0,0|2,0,0]=3 471 B12R0.247 CCOC[C@H](NC(=O)C)C(=O)OC 22b03f976d9923275e62f63e4da4cc8e [0,1,0,0,0,0|2,0,0]=3 472 B12R0.247 COC(=O)C(CC(=O)O)NCSC a0a48a908aaeeecee024f6f42a30f828 [0,1,0,0,0,0|3,0,0]=4 473 B12R0.247 COC(=O)C(CCSC)OC(C)C 449aa72b77e00e0043076e28ad32e4bd [0,1,0,0,0,0|2,0,1]=4 474 B12R0.247 COC(=O)C(CNC#N)NC(=O)C d7c7e7cda92b28a073ccca66e7d82fb4 [0,1,0,0,0,0|3,0,0]=4 475 B12R0.247 COC(=O)C(COCF)NC(=O)C 18fc0e4c4c82748afb38c6c8dc8cdde2 [0,1,0,0,0,0|3,0,0]=4 476 B12R0.247 COC(=O)[C@@H](CC(=O)O)NCSC 21910526b2c19c54a90b6dd9e17d0bbb [0,1,0,0,0,0|3,0,0]=4 477 B12R0.247 COC(=O)[C@H](CC(=O)O)NCSC c39363781b1fe0593ad029675f566844 [0,1,0,0,0,0|3,0,0]=4 478 B12R0.247 COC(=O)[C@H](CNC#N)NC(=O)C d48a498b026dfe1fdfa709e6b19edcbe [0,1,0,0,0,0|3,0,0]=4 479 B12R0.247 COC(=O)[C@H](COCF)NC(=O)C cca8545f8ef5149e0b268879f3145595 [0,1,0,0,0,0|3,0,0]=4 480 B12R0.253 CCCCC(C(=O)O)N(C)C(C)C 992971deb23a525217671af0d7d2ca2b [0,1,0,0,0,0|2,0,1]=4 481 B12R0.253 CCCC[C@@H](C(=O)O)N(C)C(C)C c115d5a495a8aae8f7662dbfa092b188 [0,1,0,0,0,0|2,0,1]=4 482 B12R0.253 COCC[C@@H](C(=O)O)N(C)C(C)C 06c05ccc43f7a356fb48c17e41d4c67b [0,1,0,0,0,0|1,1,1]=4 483 B12R0.253 CSCCC(C(=O)N)N(C)C(=O)C efb144c7dc166ec86dfd74ed11cf300f [0,1,0,0,0,0|1,0,0]=2 484 B12R0.253 CSCCC(C(=O)N)N(C)C(C)C e3a833f4cc1e2b171d937e7b7f0bd8e2 [0,1,0,0,0,0|2,0,1]=4 485 B12R0.253 CSCC[C@@H](C(=O)O)N(C)C(C)C 6005d7936ac740e7e57204e233cca0bd [0,1,0,0,0,0|1,0,1]=3 486 B12R0.253 CSCC[C@H](C(=O)O)N(C)C(C)C 4401171650becb2c470142f9ee6015e3 [0,1,0,0,0,0|1,0,1]=3 487 B12R0.253 CSCNC(C(=O)O)C(C)C(=O)O 170dbaa508154761257c2e51be847495 [0,1,0,0,0,0|3,0,0]=4 488 B12R0.253 CSCNC(C(=O)O)C(O)C(=O)O 6756e8e249255c88e37e70503f7c74d3 [0,1,0,0,0,0|3,0,0]=4 489 B12R0.253 CSCN[C@@H](C(=O)O)[C@@H](O)C(=O)O 753f48b3e3b4571b2b7d1a7be536a67c [0,1,0,0,0,0|3,0,0]=4 490 B12R0.253 CSCN[C@H](C(=O)O)[C@H](O)C(=O)O 0cb422c4123991532575e1a568bec5af [0,1,0,0,0,0|3,0,0]=4 491 B12R0.253 CSCOC(C(=O)O)C(C)C(=O)O 60b699a2113e46144f8a68b82b85e45b [0,1,0,0,0,0|3,0,0]=4 492 B12R0.356 CSCC[C@](C)(NC(C)C)C(=O)O a3fa3b199f74e1be8b8231730399ab00 [0,1,0,0,0,0|1,0,1]=3 493 B12R0.356 CSCNC(C)(CC(=O)O)C(=O)O daf69c33942631404b679c22086db13a [0,1,0,0,0,0|3,0,0]=4 494 B12R1.11 CCN1CC(=O)NC(C1)C(=O)O ef1e7c9185832974a50caae2a0c4aad6 [0,0,0,1,0,0|2,0,0]=3 495 B12R1.11 O=C1CN(CC(N1)C(=O)O)CF 80f0bfa2e1f66fd444737f9846eb1cb8 [0,0,0,1,0,0|3,0,0]=4 496 B12R1.11 O=C1CN(CC(N1)C(=O)O)CO 02d0fc85fb2c3ffb868ffb553856a9cd [0,0,0,1,0,0|3,0,0]=4 497 B12R1.210 CC(=O)NC1CCCCNC1=O 76db79fb758264a00fb79d41345c27e3 [0,0,0,1,0,0|2,0,0]=3 498 B12R1.210 CC(=O)N[C@@H]1CCCCC[C@@H]1O d97606515079f22e5f040090aed00859 [0,0,0,1,0,0|2,0,1]=4 499 B12R1.210 CC(=O)N[C@@H]1CCCCC[C@H]1O b04bc8b7e5ab82f1b5a242064aa1d787 [0,0,0,1,0,0|2,0,1]=4 500 B12R1.210 CC(=O)N[C@@H]1CCCCNC1=O 132638b5d14772c05e1407db10425c59 [0,0,0,1,0,0|2,0,0]=3 501 B12R1.210 CC(=O)N[C@H]1CCCCC[C@@H]1O 141c788f677122fe76033d871b80fe1f [0,0,0,1,0,0|2,0,1]=4 502 B12R1.210 CC(=O)N[C@H]1CCCCNC1=O 631dadfc286487234d36ffd824162bda [0,0,0,1,0,0|2,0,0]=3 503 B12R1.233 CC(=O)NC1CCC(=O)NC1=O a698bf19177846d10569217f39a7b242 [0,0,0,1,0,0|3,0,0]=4 504 B12R1.233 CC(=O)N[C@@H]1CCC(=O)NC1=O a991da9dd45c899d7a4887720257c525 [0,0,0,1,0,0|3,0,0]=4 505 B12R1.233 CC(=O)N[C@H]1CCC(=O)NC1=O 84b1dc46b48e70f279fb40003df47ad7 [0,0,0,1,0,0|3,0,0]=4 506 B12R1.261 CC(=O)C1CCCCN1C(=O)C 3608faec73b508aa39f97783d6bdf358 [0,0,0,1,0,0|2,0,0]=3 507 B12R1.261 CC(=O)N1CCCCC1C(=O)N f5192f9b896f423126cf22d583d4e5d9 [0,0,0,1,0,0|2,0,0]=3 508 B12R1.261 CC(=O)N1CCCC[C@@H]1C(=O)N 59399f3f9f20d1f8df4956691504d3f6 [0,0,0,1,0,0|2,0,0]=3 509 B12R1.261 CC(=O)N1CCCC[C@H]1C(=O)N 6482805f969239dd7d2b0cfdd6a63093 [0,0,0,1,0,0|2,0,0]=3 510 B12R1.261 CC(=O)N1CCOCC1C(=O)N d87ecc7cf61c41556dd2a14c015f18fb [0,0,0,1,0,0|3,0,0]=4 511 B12R1.261 CC(=O)N1CCOC[C@@H]1C(=O)N 484e6064a0cf99e516644cf8804d474b [0,0,0,1,0,0|3,0,0]=4 512 B12R1.261 CC(=O)N1CCOC[C@H]1C(=O)N f077d2f55e037c664d13ef3087513b11 [0,0,0,1,0,0|3,0,0]=4 513 B12R1.261 CC(C)N1CCCCC1C(=O)O d10a620f2af336df5bc9b1c811db45c6 [0,0,0,1,0,0|2,0,1]=4 514 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O c6253a198d1653e80ded304bd7596e89 [0,0,0,1,0,0|2,0,1]=4 515 B12R1.261 CC(C)N1CCCC[C@H]1C(=O)O ce2a306fea055b2d1765efccc54c1bdf [0,0,0,1,0,0|2,0,1]=4 516 B12R1.276 CCCN1CC(=O)C[C@@H]1C(=O)O b4f8e78535ea5db0c869874a52b98a4b [0,0,0,1,0,0|3,0,0]=4 517 B12R1.276 CCCN1CC(=O)C[C@H]1C(=O)O f4d27854c7a0d5048e5196fac1ebc784 [0,0,0,1,0,0|3,0,0]=4 518 B12R1.276 COCN1CC(=O)C[C@@H]1C(=O)O 39bfdd19cdda2650aced3515c5cb33b3 [0,0,0,1,0,0|2,1,0]=4 519 B12R1.276 COCN1CC(=O)C[C@H]1C(=O)O 61aceb710aee517c57d862d408eb8c6f [0,0,0,1,0,0|2,1,0]=4 520 B12R1.276 CSCN1CC(=O)C[C@@H]1C(=O)O 143dd74cb825561e6a167e3eb21cef37 [0,0,0,1,0,0|2,0,0]=3 521 B12R1.276 CSCN1CC(=O)C[C@H]1C(=O)O bfc993acdc3353769f23046a74a3e8b4 [0,0,0,1,0,0|2,0,0]=3 522 B12R1.374 CCOCC1NC(=O)CNC1=O 9f745ec51fb8df8e4dbf52563c87844c [0,0,0,1,0,0|3,0,0]=4 523 B12R1.374 CCOC[C@@H]1NC(=O)CNC1=O a1e3aee669973fc1dea2b70713c75b7d [0,0,0,1,0,0|3,0,0]=4 524 B12R1.391 CC(=O)NC1CCCCC1(C)O 7affff00df26e05c93e22bd7e0f65c35 [0,0,0,1,0,0|2,0,1]=4 525 B12R1.935 CCCCC(NC1CC1)C(=O)O b11ebcabc2fd39261928aea3a1ab6092 [0,0,0,1,0,0|2,0,1]=4 526 B12R1.935 CCCC[C@@H](NC1CC1)C(=O)O a84a970daedf2bc7ecb1ca80f5415aec [0,0,0,1,0,0|2,0,1]=4 527 B12R1.935 CCCC[C@H](NC1CC1)C(=O)O ba3d1c042b866ceaf501f562f7e08d86 [0,0,0,1,0,0|2,0,1]=4 528 B12R1.935 COCC[C@H](NC1CC1)C(=O)O f8f4b0848b033411f7f45263f229b90b [0,0,0,1,0,0|1,1,1]=4 529 B12R1.935 CSCCC(NC1CC1)C(=O)O 3366108af373fd82fcd4a69a176403cc [0,0,0,1,0,0|1,0,1]=3 530 B12R1.935 CSCC[C@@H](NC1CC1)C(=O)O 2902635941060192a3e829e243e2429f [0,0,0,1,0,0|1,0,1]=3 531 B12R1.935 CSCC[C@H](NC1CC1)C(=O)N a8a1d5d0e4dc7313fac3b71d6a3a4d92 [0,0,0,1,0,0|2,0,1]=4 532 B12R1.935 CSCC[C@H](NC1CC1)C(=O)O fd4cc52055b442bc3d028512ced1b986 [0,0,0,1,0,0|1,0,1]=3 533 B12R1.1813 CC(C)NC(C(=O)O)C1CCC1 1ec8938b44d54bca565bc1e4ee0c4155 [0,0,0,1,0,0|2,0,1]=4 534 B12R1.1813 CC(C)NC(C(=O)O)C1COC1 a4ddbca7a6b1430504fbd89727c9358c [0,0,0,1,0,0|1,1,1]=4 535 B12R1.1813 CC(C)N[C@@H](C(=O)O)C1CCC1 486c55c03b958310b8ba95f3d7194efb [0,0,0,1,0,0|2,0,1]=4 536 B12R1.1813 CC(C)N[C@@H](C(=O)O)C1COC1 1f0a9d55f62e732f7a89f2cbcf455bd3 [0,0,0,1,0,0|1,1,1]=4 537 B12R1.1813 CC(C)N[C@H](C(=O)O)C1CCC1 65bbf025e9e4e56069e0aeb5da74c917 [0,0,0,1,0,0|2,0,1]=4 538 B12R1.1813 CC(C)N[C@H](C(=O)O)C1COC1 5944752306603caaa976d2bdc05a6136 [0,0,0,1,0,0|1,1,1]=4 539 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)N 4ff37a7c057ce53e39bc26dda777649a [0,0,0,1,0,0|2,0,0]=3 540 B12R1.3171 CC(C)NC1(CCCC1)C(=O)O eb1f4b6f394680ef81e263f150e90027 [0,0,0,1,0,0|2,0,1]=4 541 B12R1.3171 CC(C)NC1(CCOC1)C(=O)O 66bb83be65bea69e25f0ded9a92bac4c [0,0,0,1,0,0|1,1,1]=4 542 B12R1.3171 CC(C)NC1(CCSC1)C(=O)O cce3b96849ab1d3cacdced21d4b8d8cf [0,0,0,1,0,0|1,0,1]=3 543 B12R1.3171 CC(C)N[C@@]1(CCOC1)C(=O)O 27d626654b02d98d35b7d4f54501509b [0,0,0,1,0,0|1,1,1]=4 544 B12R1.3171 CC(C)N[C@]1(CCOC1)C(=O)O 9dec99e688fd54279a06cf7a50d2dc8a [0,0,0,1,0,0|1,1,1]=4 545 B12R1.3579 CC(C)NC(CC1CC1)C(=O)O 2d35019ead4dc35295d8198c0a9bd21d [0,0,0,1,0,0|2,0,1]=4 546 B12R1.3579 CC(C)N[C@@H](CC1CC1)C(=O)O bbc9c7b624320b9aa23f311243264b78 [0,0,0,1,0,0|2,0,1]=4 547 B12R1.3579 CC(C)N[C@H](CC1CC1)C(=O)O 2805789628abe533745e7b1c40f08769 [0,0,0,1,0,0|2,0,1]=4 548 B10R0.17 CCCNC(C(=O)C)C(=O)C 8553ea9a0412fbf85c66de06a473ed5c [0,0,0,0,1,0|3,0,0]=4 549 B10R0.17 CCCNC(C(=O)O)C(=O)O 433c0c6ba38b9f9872973bbbede91c67 [0,0,0,0,1,0|3,0,0]=4 550 B10R0.17 CCCOC(C(=O)C)C(=O)C f2dcf4e11a583e5898c68b9b19e38eba [0,0,0,0,1,0|3,0,0]=4 551 B10R0.17 CCCOC(C(=O)O)C(=O)O c3d4068343a5a79662c778cef094656f [0,0,0,0,1,0|3,0,0]=4 552 B10R0.17 COCNC(C(=O)O)C(=O)O e89b422264edfe2b1cb9c326ff52181b [0,0,0,0,1,0|2,1,0]=4 553 B10R0.17 COCOC(C(=O)C)C(=O)C fe23ab4f4e7f137fb17e4577db2c009b [0,0,0,0,1,0|2,1,0]=4 554 B10R0.17 COCOC(C(=O)O)C(=O)O 27c5051320979244b997228afaa60640 [0,0,0,0,1,0|2,1,0]=4 555 B10R0.17 CSCNC(C(=O)N)C(=O)N 16d09d595ef16e5ad691b25c2f74a7de [0,0,0,0,1,0|3,0,0]=4 556 B10R0.17 CSCNC(C(=O)O)C(=O)O 63d40876f94fcc5ccdc41a2d5ef97f28 [0,0,0,0,1,0|2,0,0]=3 557 B10R0.17 CSCNC(C(=O)O)C(C)C ba38809b04f0c0ea45334ab4e0c26157 [0,0,0,0,1,0|2,0,1]=4 558 B10R0.17 CSCNC(C(=O)O)C(C)F 5ef41f2301e25d2a95f4806ce626c220 [0,0,0,0,1,0|2,0,1]=4 559 B10R0.17 CSCNC(C(=O)O)C(C)O 929f61bfa3d7428d43c79a1be8a3630e [0,0,0,0,1,0|1,0,2]=4 560 B10R0.17 CSCNC(C(=O)O)[C@H](C)O ad536908b6e545dc7b816a0b96418cdb [0,0,0,0,1,0|1,0,2]=4 561 B10R0.17 CSCN[C@@H](C(=O)O)C(C)C 0993629419b355cb7192adea3e7ad127 [0,0,0,0,1,0|2,0,1]=4 562 B10R0.17 CSCN[C@@H](C(=O)O)[C@@H](C)O 066a1d87b347233a6e61f2dc49087ec5 [0,0,0,0,1,0|1,0,2]=4 563 B10R0.17 CSCN[C@@H](C(=O)O)[C@H](C)O c4c2622d74b32c83cb2c00158f98be34 [0,0,0,0,1,0|1,0,2]=4 564 B10R0.17 CSCN[C@H](C(=O)O)C(C)C 0405f950142d69c7b9203f14889fe8d6 [0,0,0,0,1,0|2,0,1]=4 565 B10R0.17 CSCN[C@H](C(=O)O)[C@@H](C)O 18e5a1a7ad663be1aa5f080fae2f77e7 [0,0,0,0,1,0|1,0,2]=4 566 B10R0.17 CSCN[C@H](C(=O)O)[C@H](C)O b928f21a48ef1ff4bc90597a809abe27 [0,0,0,0,1,0|1,0,2]=4 567 B10R0.17 CSCOC(C(=O)O)C(=O)O 63b402c562019b62d7fbe3d57f0eec26 [0,0,0,0,1,0|2,0,0]=3 568 B10R0.17 CSCOC(C(=O)O)C(C)C dcdacc8bcf0d9367d4be07b702789a55 [0,0,0,0,1,0|2,0,1]=4 569 B10R0.17 CSCO[C@@H](C(=O)O)C(C)C 5e0524532e8996f5b9c6a7658fc92ff7 [0,0,0,0,1,0|2,0,1]=4 570 B10R0.17 CSCO[C@H](C(=O)O)C(C)C f98b0ab2da95516cf802ab8cad1de5d1 [0,0,0,0,1,0|2,0,1]=4 571 B12R0.55 C#CCCC(NCC(=C)C)C(=O)O 10be68b8908121563b2d3de23dadf67d [0,0,0,0,0,1|2,0,1]=4 572 B12R0.55 C#CCCC(NCC(=O)N)C(=O)O a78f66acf2cec9fd72f32f4c6ea9fa83 [0,0,0,0,0,1|2,0,1]=4 573 B12R0.55 C#CCCC(NCC(=O)O)C(=O)O f5a624db503701e1adac9efe4f367df3 [0,0,0,0,0,1|2,0,1]=4 574 B12R0.55 C#CCC[C@@H](NCC(=C)C)C(=O)O 4d8d11885483986c0d6615f169445899 [0,0,0,0,0,1|2,0,1]=4 575 B12R0.55 C#CCC[C@@H](NCC(=O)N)C(=O)O 625b7324751b93ad6f01464a74cca7fa [0,0,0,0,0,1|2,0,1]=4 576 B12R0.55 C#CCC[C@@H](NCC(=O)O)C(=O)O 33307ea331bd96a80a7d0c95c323e5ed [0,0,0,0,0,1|2,0,1]=4 577 B12R0.55 C#CCC[C@H](NCC(=C)C)C(=O)O 7ef2c6da92f0d5616bc5987244533a38 [0,0,0,0,0,1|2,0,1]=4 578 B12R0.55 C#CCC[C@H](NCC(=O)N)C(=O)O 940adcde7015e2b41f0b6d34b83d5794 [0,0,0,0,0,1|2,0,1]=4 579 B12R0.55 C#CCC[C@H](NCC(=O)O)C(=O)O a618583abd1ecc5fe89ec9fb508a6ba1 [0,0,0,0,0,1|2,0,1]=4 580 B12R0.55 C=C(Br)CNC(CCCC)C(=O)O 5687d56056cf896344fe8292849e1398 [0,0,0,0,0,1|2,0,1]=4 581 B12R0.55 C=C(Br)CNC(CCSC)C(=O)O 123b1f2ed513b3d48d815ab3c014433a [0,0,0,0,0,1|1,0,1]=3 582 B12R0.55 C=C(Br)CN[C@@H](CCCC)C(=O)O f46bed43dd9d1f051916a7dc6d8881f9 [0,0,0,0,0,1|2,0,1]=4 583 B12R0.55 C=C(Br)CN[C@@H](CCOC)C(=O)O 11044ae790b066d2dd22dba525b4f95d [0,0,0,0,0,1|1,1,1]=4 584 B12R0.55 C=C(Br)CN[C@@H](CCSC)C(=O)N 3e5c6425de050fb62d5586291ac09da2 [0,0,0,0,0,1|2,0,1]=4 585 B12R0.55 C=C(Br)CN[C@@H](CCSC)C(=O)O 6a0b6a2261cd4aa2ba784dffc74d3089 [0,0,0,0,0,1|1,0,1]=3 586 B12R0.55 C=C(Br)CN[C@H](CCCC)C(=O)O f142f28871b673f701ed016aca39584b [0,0,0,0,0,1|2,0,1]=4 587 B12R0.55 C=C(Br)CN[C@H](CCSC)C(=O)O 640af5ef06c1eb945a633a161f95e16f [0,0,0,0,0,1|1,0,1]=3 588 B12R0.55 C=C(Br)COC(CCSC)C(=O)O 638c997fb87a2aa956444f9cdaff0e66 [0,0,0,0,0,1|2,0,1]=4 589 B12R0.55 C=C(C)CC[C@@H](NCSC)C(=O)O 0caf8ebb1cea93682226c38efc3d66b2 [0,0,0,0,0,1|3,0,0]=4 590 B12R0.55 C=C(C)CC[C@H](NCSC)C(=O)O 775449021d88bfe150b4800fe8eb2280 [0,0,0,0,0,1|3,0,0]=4 591 B12R0.55 C=C(C)CNC(CCCC)C(=O)N baab73fed15bd615b4fe56de1d41ba98 [0,0,0,0,0,1|3,0,0]=4 592 B12R0.55 C=C(C)CNC(CCCC)C(=O)O 3e0af8f33408d51fc183afc63a06e630 [0,0,0,0,0,1|2,0,0]=3 593 B12R0.55 C=C(C)CNC(CCSC)C(=O)O fd1ed05465465dd67ad63235aa2ced9f [0,0,0,0,0,1|1,0,0]=2 594 B12R0.55 C=C(C)CN[C@@H](CC#CC)C(=O)O 239db59e8a7b203d87d108f29a02415c [0,0,0,0,0,1|2,0,1]=4 595 B12R0.55 C=C(C)CN[C@@H](CCCC)C(=O)O 57e3773a52a6277d839945d8f5000c5d [0,0,0,0,0,1|2,0,0]=3 596 B12R0.55 C=C(C)CN[C@@H](CCCO)C(=O)O c322767500af07c33de12e90c0c78e65 [0,0,0,0,0,1|3,0,0]=4 597 B12R0.55 C=C(C)CN[C@@H](CCOC)C(=O)O 8b17969e82a87826d61743ea4a37b6a0 [0,0,0,0,0,1|1,1,0]=3 598 B12R0.55 C=C(C)CN[C@@H](CCSC)C(=O)N a25205c33518ed15dd20da73d272f943 [0,0,0,0,0,1|2,0,0]=3 599 B12R0.55 C=C(C)CN[C@@H](CCSC)C(=O)O f24f008deebfaca32afba114af1e573f [0,0,0,0,0,1|1,0,0]=2 600 B12R0.55 C=C(C)CN[C@H](CC#CC)C(=O)O 652fd8f034c228dbd8c8518fa8550e60 [0,0,0,0,0,1|2,0,1]=4 601 B12R0.55 C=C(C)CN[C@H](CCCC)C(=O)O 9ef7e6c6d79bb54b53098cf22c241fb0 [0,0,0,0,0,1|2,0,0]=3 602 B12R0.55 C=C(C)CN[C@H](CCCO)C(=O)O 0cf385df664c2baec36e58ff0085f87d [0,0,0,0,0,1|3,0,0]=4 603 B12R0.55 C=C(C)CN[C@H](CCSC)C(=O)O 264419af82685fb8b5243edc9d5c23cd [0,0,0,0,0,1|1,0,0]=2 604 B12R0.55 C=C(C)COC(CCCC)C(=O)O c97ebcee1c2850ec1680c75895225d89 [0,0,0,0,0,1|3,0,0]=4 605 B12R0.55 C=C(C)COC(CCSC)C(=O)N 9de29ecc7fa4cb4a51353de6b6213905 [0,0,0,0,0,1|3,0,0]=4 606 B12R0.55 C=C(C)COC(CCSC)C(=O)O b5af01803b7adfbdc34182a23645288f [0,0,0,0,0,1|2,0,0]=3 607 B12R0.55 C=C(C)CO[C@@H](CCCC)C(=O)O 5c699344faade67ff1e0591d88663323 [0,0,0,0,0,1|3,0,0]=4 608 B12R0.55 C=C(C)CO[C@H](CCCC)C(=O)O 9f122ac65ddd147aef1bb74746778f0f [0,0,0,0,0,1|3,0,0]=4 609 B12R0.55 C=C(Cl)CNC(CCCC)C(=O)O 8ad1d184882ea1070af53d9849afb6f6 [0,0,0,0,0,1|2,0,1]=4 610 B12R0.55 C=C(Cl)CNC(CCSC)C(=O)O 5109e5bf0bf1591899b37ab92996e7f1 [0,0,0,0,0,1|1,0,1]=3 611 B12R0.55 C=C(Cl)CN[C@@H](CCCC)C(=O)O a14eb200f96ac15310bada4ab133975f [0,0,0,0,0,1|2,0,1]=4 612 B12R0.55 C=C(Cl)CN[C@@H](CCOC)C(=O)O cc53ea29f706d1ac12aed2e3315ba3c6 [0,0,0,0,0,1|1,1,1]=4 613 B12R0.55 C=C(Cl)CN[C@@H](CCSC)C(=O)N 548cf10c7b43baae2061af4739f5631a [0,0,0,0,0,1|2,0,1]=4 614 B12R0.55 C=C(Cl)CN[C@@H](CCSC)C(=O)O 66d2e03f8f70a3964ddd0be26dfaeef5 [0,0,0,0,0,1|1,0,1]=3 615 B12R0.55 C=C(Cl)CN[C@H](CCCC)C(=O)O 99afac1d866104550654d8e625f47212 [0,0,0,0,0,1|2,0,1]=4 616 B12R0.55 C=C(Cl)CN[C@H](CCSC)C(=O)O e264ab8404e12f61f06778a85f2e9103 [0,0,0,0,0,1|1,0,1]=3 617 B12R0.55 C=C(Cl)COC(CCSC)C(=O)O bfc0357ceacaccdad93c46415eaafd82 [0,0,0,0,0,1|2,0,1]=4 618 B12R0.55 C=C(F)CNC(CCCC)C(=O)O 826f978bea4f461418258878d7600ccf [0,0,0,0,0,1|2,0,1]=4 619 B12R0.55 C=C(F)CNC(CCSC)C(=O)O 993ad18a92eaf2684432cd637493c3bf [0,0,0,0,0,1|1,0,1]=3 620 B12R0.55 C=C(F)CN[C@@H](CCCC)C(=O)O a66d8dce5b8b01a42eee90a9a74a657f [0,0,0,0,0,1|2,0,1]=4 621 B12R0.55 C=C(F)CN[C@@H](CCOC)C(=O)O 48a1fb63177f9d815c41e8626b7da2bd [0,0,0,0,0,1|1,1,1]=4 622 B12R0.55 C=C(F)CN[C@@H](CCSC)C(=O)N a689d6ccb81d223c9abfbde8455efb28 [0,0,0,0,0,1|2,0,1]=4 623 B12R0.55 C=C(F)CN[C@@H](CCSC)C(=O)O add7be3e9169f0b7a472b3a25ed17918 [0,0,0,0,0,1|1,0,1]=3 624 B12R0.55 C=C(F)CN[C@H](CCCC)C(=O)O 152970d9d453c51263da2743aaa4e9ab [0,0,0,0,0,1|2,0,1]=4 625 B12R0.55 C=C(F)CN[C@H](CCSC)C(=O)O 48e3a9bc279920396225f93e1965f8f2 [0,0,0,0,0,1|1,0,1]=3 626 B12R0.55 C=C(F)COC(CCSC)C(=O)O aaa8ae8bdfdb1d70e0573049993d8285 [0,0,0,0,0,1|2,0,1]=4 627 B12R0.55 C=CCCC(NCC(=C)C)C(=O)O 1b8df6e23578dbd144dbbae63ffbfb67 [0,0,0,0,0,1|2,0,1]=4 628 B12R0.55 C=CCCC(NCC(=O)N)C(=O)O b76ab964cd95bbcb6bdc52f399246619 [0,0,0,0,0,1|2,0,1]=4 629 B12R0.55 C=CCCC(NCC(=O)O)C(=O)O 8639899e0621b151438e58e620e123aa [0,0,0,0,0,1|2,0,1]=4 630 B12R0.55 C=CCC[C@@H](NCC(=C)C)C(=O)O 0495d5f95724ae91a9a1f60402634602 [0,0,0,0,0,1|2,0,1]=4 631 B12R0.55 C=CCC[C@@H](NCC(=O)N)C(=O)O cb9562fbdbc822dd72a6533a61c0fea2 [0,0,0,0,0,1|2,0,1]=4 632 B12R0.55 C=CCC[C@@H](NCC(=O)O)C(=O)O a2b75f0dee20698cd22e8dc15acc3d12 [0,0,0,0,0,1|2,0,1]=4 633 B12R0.55 C=CCC[C@H](NCC(=C)C)C(=O)O 00c637c75059d013ad606f63884bebf2 [0,0,0,0,0,1|2,0,1]=4 634 B12R0.55 C=CCC[C@H](NCC(=O)N)C(=O)O 143597f65907c6a867690007bbed6e8e [0,0,0,0,0,1|2,0,1]=4 635 B12R0.55 C=CCC[C@H](NCC(=O)O)C(=O)O 785e9868f278a449569d454154a55f3d [0,0,0,0,0,1|2,0,1]=4 636 B12R0.55 CC#CC[C@@H](NCC(=O)N)C(=O)O a1cef571e5422faf571c314c71dc6203 [0,0,0,0,0,1|2,0,1]=4 637 B12R0.55 CC#CC[C@@H](NCC(=O)O)C(=O)O c1315bfe5af96bfccb0928a21158ae01 [0,0,0,0,0,1|2,0,1]=4 638 B12R0.55 CC#CC[C@H](NCC(=O)N)C(=O)O 938e9a55ab3b408a504737173a75a25a [0,0,0,0,0,1|2,0,1]=4 639 B12R0.55 CC#CC[C@H](NCC(=O)O)C(=O)O baec21156547c350a8712e10df213c88 [0,0,0,0,0,1|2,0,1]=4 640 B12R0.55 CCCCC(NCC(=O)C)C(=O)N 41632ec563ea1e3defb72ed07d9f1b1d [0,0,0,0,0,1|2,0,0]=3 641 B12R0.55 CCCCC(NCC(=O)N)C(=O)N bcf48c9c96cbf79a84495bc49a55b8af [0,0,0,0,0,1|3,0,0]=4 642 B12R0.55 CCCCC(NCC(=O)N)C(=O)O 86a6d30dd33ec99294fe16530f9c3520 [0,0,0,0,0,1|2,0,0]=3 643 B12R0.55 CCCCC(NCC(=O)O)C(=O)N d0a425bd7fca28d46e27482be0796b2a [0,0,0,0,0,1|3,0,0]=4 644 B12R0.55 CCCCC(NCC(=O)O)C(=O)O 9d4c02b082d1093bb4cb05e928652af9 [0,0,0,0,0,1|2,0,0]=3 645 B12R0.55 CCCCC(NCC(C)C)C(=O)O 37158f176909e81299710432e18df668 [0,0,0,0,0,1|2,0,1]=4 646 B12R0.55 CCCCC(NCC(C)O)C(=O)O 577327cc02929e59b315448769928b24 [0,0,0,0,0,1|1,0,2]=4 647 B12R0.55 CCCCC(NCN(C)C)C(=O)O 6e688f9bb81e593a0a40f1dd4bc95533 [0,0,0,0,0,1|3,0,0]=4 648 B12R0.55 CCCCC(NC[C@@H](C)O)C(=O)O 0a8f499dcaa9a7f009cdbca338bda5a4 [0,0,0,0,0,1|1,0,2]=4 649 B12R0.55 CCCCC(NC[C@H](C)O)C(=O)O 4d177de88569a9275726d3568d584f0e [0,0,0,0,0,1|1,0,2]=4 650 B12R0.55 CCCCC(NC[N+](=O)[O-])C(=O)O 679721c29bb28c82f30ada499de0cab4 [0,0,0,0,0,1|3,0,0]=4 651 B12R0.55 CCCCC(OCC(=O)C)C(=O)N df8c53f509bfebba291669fe25c8b386 [0,0,0,0,0,1|3,0,0]=4 652 B12R0.55 CCCCC(OCC(=O)N)C(=O)O d3652eb006930a0d8083268247b2d5d4 [0,0,0,0,0,1|3,0,0]=4 653 B12R0.55 CCCCC(OCC(=O)O)C(=O)O a1895769bb48737d43403222ced5b93f [0,0,0,0,0,1|3,0,0]=4 654 B12R0.55 CCCC[C@@H](NCC(=O)N)C(=O)O 76d482693705f6e649d0ea5759a02b7a [0,0,0,0,0,1|2,0,0]=3 655 B12R0.55 CCCC[C@@H](NCC(=O)O)C(=O)O c81d7aadf121ff9ae76bbeb7c2daa094 [0,0,0,0,0,1|2,0,0]=3 656 B12R0.55 CCCC[C@@H](NCC(C)C)C(=O)O 005a6b07c87e1294436954f153da277c [0,0,0,0,0,1|2,0,1]=4 657 B12R0.55 CCCC[C@@H](NCC(C)O)C(=O)O ee425f227d8a6711ee15e21e92dc2d11 [0,0,0,0,0,1|1,0,2]=4 658 B12R0.55 CCCC[C@@H](NCN(C)C)C(=O)O eca12eda1a01294e3066419fcca5ec51 [0,0,0,0,0,1|3,0,0]=4 659 B12R0.55 CCCC[C@@H](NC[C@@H](C)O)C(=O)O bf66e7fe6deee9b0472951a97e59a72b [0,0,0,0,0,1|1,0,2]=4 660 B12R0.55 CCCC[C@@H](NC[C@H](C)O)C(=O)O b1c6b9064b34f86c1e77d4570828d7cb [0,0,0,0,0,1|1,0,2]=4 661 B12R0.55 CCCC[C@@H](NC[N+](=O)[O-])C(=O)O 2b547265e76c2dbe316f0e6287076398 [0,0,0,0,0,1|3,0,0]=4 662 B12R0.55 CCCC[C@@H](OCC(=O)N)C(=O)O 4439f9a16ed756565b9cd1b60b73e8a3 [0,0,0,0,0,1|3,0,0]=4 663 B12R0.55 CCCC[C@@H](OCC(=O)O)C(=O)O 916d393bbe9c7cb86e960c76afd1ba94 [0,0,0,0,0,1|3,0,0]=4 664 B12R0.55 CCCC[C@H](NCC(=O)N)C(=O)O cb10a3d5ba33ac5f744de2b8739f69c9 [0,0,0,0,0,1|2,0,0]=3 665 B12R0.55 CCCC[C@H](NCC(=O)O)C(=O)O d343d57bd5cc047dee968af7e57982a2 [0,0,0,0,0,1|2,0,0]=3 666 B12R0.55 CCCC[C@H](NCC(C)C)C(=O)O c6526d9e4845b8d2da000d41f3529641 [0,0,0,0,0,1|2,0,1]=4 667 B12R0.55 CCCC[C@H](NCC(C)O)C(=O)O fd88bfef93faafe43830d96590bde962 [0,0,0,0,0,1|1,0,2]=4 668 B12R0.55 CCCC[C@H](NCN(C)C)C(=O)O 13fdfb07375235a67494d3552f2fec2b [0,0,0,0,0,1|3,0,0]=4 669 B12R0.55 CCCC[C@H](NC[C@@H](C)O)C(=O)O 010f5d9161b878c023cbab6e61eeb4a9 [0,0,0,0,0,1|1,0,2]=4 670 B12R0.55 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da4d526e59be455b3e6f6ae6f972462b [2,0,0,0,0,0|0,0,1]=3 766 B9R0.14 COCC(CO)NC(=O)C 4af97eace3aa2ab3670eea26459a3b10 [2,0,0,0,0,0|0,1,1]=4 767 B9R0.14 CSCC(CO)NC(=O)C 5371a65779c19ffcb4bdce7024de7c98 [2,0,0,0,0,0|0,0,1]=3 768 B9R0.15 CCCC(NCC)C(=O)O f2e2b8b008631e59d77116738a0c0fba [2,0,0,0,0,0|0,0,1]=3 769 B9R0.15 CCCC(NCF)C(=O)O a761550a691b0d2033ed5a224ec0bf93 [2,0,0,0,0,0|1,0,1]=4 770 B9R0.15 CCCC(NCO)C(=O)O d20f04e5bd0411927d8cb8b68730e158 [2,0,0,0,0,0|0,0,2]=4 771 B9R0.15 CCCC(OCC)C(=O)O 557cdda2d42ce9925ebe94072fd2dc3e [2,0,0,0,0,0|1,0,1]=4 772 B9R0.15 CCC[C@@H](NCC)C(=O)O bcd7e5b46a98d62b8fefec1947a32cbd [2,0,0,0,0,0|0,0,1]=3 773 B9R0.15 CCC[C@@H](NCF)C(=O)O f5fb889117053045db622dad0989ea2c [2,0,0,0,0,0|1,0,1]=4 774 B9R0.15 CCC[C@@H](NCO)C(=O)O 44b56cdf8203a72630acb27eae0a7586 [2,0,0,0,0,0|0,0,2]=4 775 B9R0.15 CCC[C@@H](OCC)C(=O)O e0fb7807d37784e305105182208c5882 [2,0,0,0,0,0|1,0,1]=4 776 B9R0.15 CCC[C@H](NCC)C(=O)O 08b9411a50dce8c79cf1fe750267cab5 [2,0,0,0,0,0|0,0,1]=3 777 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27d5c4053cbd10950b990779d5c4e03c [2,0,0,0,0,0|0,1,1]=4 789 B9R0.15 CCN[C@H](CCS)C(=O)O e4df37a7af8193f737f4aec8b2a9026e [2,0,0,0,0,0|0,0,1]=3 790 B9R0.15 CCN[C@H](COC)C(=O)O e0a65b587066427c5ca258f9c76549c8 [2,0,0,0,0,0|0,1,1]=4 791 B9R0.15 CCN[C@H](CSC)C(=O)O 3bbc0cc0fbe2d3b973d915bc501122dd [2,0,0,0,0,0|0,0,1]=3 792 B9R0.15 CCOC(CSC)C(=O)O cc607665266d3b7390836d68eaea227f [2,0,0,0,0,0|1,0,1]=4 793 B9R0.15 CSCC(NCF)C(=O)O 63bef1a02e397c184f80ba222aaa4556 [2,0,0,0,0,0|1,0,1]=4 794 B9R0.15 CSCC(NCO)C(=O)O 5736c631a92999512583c36ea1021ecc [2,0,0,0,0,0|0,0,2]=4 795 B9R0.15 CSC[C@@H](NCF)C(=O)O 6f9bf6eb08e86bfd11bb985081e9d30a [2,0,0,0,0,0|1,0,1]=4 796 B9R0.15 CSC[C@@H](NCO)C(=O)O a96bfc6313a6b277ce7424674c6a56cc [2,0,0,0,0,0|0,0,2]=4 797 B9R0.15 CSC[C@H](NCF)C(=O)O 322969c090aff830d5abbce18c08c0d2 [2,0,0,0,0,0|1,0,1]=4 798 B9R0.15 CSC[C@H](NCO)C(=O)O bc7f7b67c2dc7d3f5e4b1fd07777fd41 [2,0,0,0,0,0|0,0,2]=4 799 B9R0.15 O=C(O)C(CCS)NCF b1f421c633752e1de7bff0d322425e1a [2,0,0,0,0,0|1,0,1]=4 800 B9R0.15 O=C(O)C(CCS)NCO 70c8dc8b0b45f5bcc1b48afeb69039ee [2,0,0,0,0,0|0,0,2]=4 801 B9R0.15 O=C(O)[C@@H](CCS)NCF b9e20d00d3b7a3d3446b644d64e94332 [2,0,0,0,0,0|1,0,1]=4 802 B9R0.15 O=C(O)[C@@H](CCS)NCO 972abd32e07d49e5a78bd018862a3417 [2,0,0,0,0,0|0,0,2]=4 803 B9R0.15 O=C(O)[C@H](CCS)NCF 3b270d4dd2df941f786d3788bb08b434 [2,0,0,0,0,0|1,0,1]=4 804 B9R0.15 O=C(O)[C@H](CCS)NCO 4aabb0fb905f5a21041f432f1d3a8ead [2,0,0,0,0,0|0,0,2]=4 805 B9R0.39 CC(=O)NC(CO)C(=O)N b1be17e2cc3eec340c1a5e7bfe0b60fc [2,0,0,0,0,0|1,1,0]=4 806 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 9013b5089d8bde9709af251a0f900641 [2,0,0,0,0,0|1,1,0]=4 807 B9R0.39 CC(C)NC(CS)C(=O)O b57c23a7d3e57d92473dea61f76a2672 [2,0,0,0,0,0|1,0,1]=4 808 B9R0.39 CC(C)N[C@@H](CS)C(=O)O 119dfa838d7ff3de760652ba7e666146 [2,0,0,0,0,0|1,0,1]=4 809 B9R0.39 CC(C)N[C@H](CS)C(=O)O a1a62cb98dbd812d6c6c17f2766c44c4 [2,0,0,0,0,0|1,0,1]=4 810 B9R0.39 CCC(NC(=O)C)C(=O)N ced64f62e518b676f2ab6392de3182cf [2,0,0,0,0,0|1,0,0]=3 811 B9R0.39 CCC(NC(C)C)C(=O)O d1e2ab254f28f635f62d6836cb2971ca [2,0,0,0,0,0|1,0,1]=4 812 B9R0.39 CC[C@@H](NC(=O)C)[C@@H](C)O 921739c4a8a492f7cfef35d0bff38d7e [2,0,0,0,0,0|1,0,1]=4 813 B9R0.39 CC[C@@H](NC(=O)C)[C@H](C)O 201113a7b2ad8782f3c591af74095c66 [2,0,0,0,0,0|1,0,1]=4 814 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 74f2971df7036370e0da2bb233c67656 [2,0,0,0,0,0|1,0,1]=4 815 B9R0.39 CC[C@H](NC(=O)C)C(=O)N 50b31a3ccc5975b35fc105a566b31dfa [2,0,0,0,0,0|1,0,0]=3 816 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 7ad059423e88b28831a5095f24ca1743 [2,0,0,0,0,0|1,0,1]=4 817 B9R0.39 CC[C@H](NC(C)C)C(=O)O 1465e55476e138472b94d4661e4437b0 [2,0,0,0,0,0|1,0,1]=4 818 B9R0.4 CCCCC(C)NC(=O)C 8c6d1ed0c215b53ce5178d84ca54f179 [2,0,0,0,0,0|1,0,1]=4 819 B9R0.4 CCCC[C@@H](C)NC(=O)C 438042d33778c53023e503021e96ec24 [2,0,0,0,0,0|1,0,1]=4 820 B9R0.40 CCCCC(CO)NC=O f57b27fd178a9c21476ed36190092a88 [2,0,0,0,0,0|1,0,1]=4 821 B9R0.40 CCCC[C@@H](CO)NC=O 42c575253100261406d9404d8f784f62 [2,0,0,0,0,0|1,0,1]=4 822 B9R0.40 CCCC[C@H](CO)NC=O 8e288fee5f34d414b25597e2bfe4aa89 [2,0,0,0,0,0|1,0,1]=4 823 B9R0.40 CCNC(CO)CCSC b8e564c2b7ad87110db5b46c71a94e3c [2,0,0,0,0,0|0,0,2]=4 824 B9R0.40 CCN[C@@H](CO)CCSC 45df498a3067aaca39879a58c7bdd89d [2,0,0,0,0,0|0,0,2]=4 825 B9R0.40 CCN[C@H](CO)CCSC 0f8cdeccb9d7d33e9f1dc19794c6477e [2,0,0,0,0,0|0,0,2]=4 826 B9R0.40 CSCCC(CO)NC=O 68aaa4eb282b8a236b75d241474debc4 [2,0,0,0,0,0|0,0,1]=3 827 B9R0.40 CSCC[C@@H](CO)NC=O d2f210ede537b3bb2a60357b8814a073 [2,0,0,0,0,0|0,0,1]=3 828 B9R0.40 CSCC[C@H](CO)NC=O cc7aef84e49c6f0818ca22825b094c35 [2,0,0,0,0,0|0,0,1]=3 829 B9R0.13 C/C=C(\OCSC)/C(=O)O 9c894bfd9598c733e4f3bb22ad8e947c [2,0,0,0,0,0|1,0,1]=4 830 B9R0.13 C=CC(NCSC)C(=O)O 42b13b1d6b85d5c40bef45753bd0f82d [2,0,0,0,0,0|1,0,1]=4 831 B9R0.13 C=C[C@H](NCSC)C(=O)O d81e78bcd81ed207e1ffa22caf957f20 [2,0,0,0,0,0|1,0,1]=4 832 B9R0.13 CCC(NCSC)C(=O)O d79342730ef2d3fa4148bd4194f0c1b1 [2,0,0,0,0,0|1,0,1]=4 833 B9R0.13 CCC(OCSC)C(=O)O ccd4ff15a6e6eec5f462ba7c168ece60 [2,0,0,0,0,0|1,0,1]=4 834 B9R0.13 CC[C@@H](NCSC)C(=O)O 5454d4f202e581954955a2783886044d [2,0,0,0,0,0|1,0,1]=4 835 B9R0.13 CC[C@@H](OCSC)C(=O)O f1b1aa50116639e72a339c9ead522291 [2,0,0,0,0,0|1,0,1]=4 836 B9R0.13 CC[C@H](NCSC)C(=O)O 215e8fc56b12daa5ff5365fc69da45a2 [2,0,0,0,0,0|1,0,1]=4 837 B9R0.13 CC[C@H](OCSC)C(=O)O f2917a5a83a3472b302dcc248b0acae0 [2,0,0,0,0,0|1,0,1]=4 838 B11R0.32 CC(=O)NC(CC(C)C)C(=O)N f72244c2aaf5bf2526235896ce070545 [1,1,0,0,0,0|1,0,0]=3 839 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 929afe17130029e610882b4ff06e4d81 [1,1,0,0,0,0|1,0,0]=3 840 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)N aca0f0c26d4ea674652bfef9bffb2e80 [1,1,0,0,0,0|1,0,0]=3 841 B11R0.32 CC(C)CC(NC(C)C)C(=O)O ca66c5d96a0a336a0fd364810ae6c479 [1,1,0,0,0,0|1,0,1]=4 842 B11R0.32 CC(C)C[C@@H](NC(C)C)C(=O)O 4f9dff8fdb8888dc65491f1b2f59b0b8 [1,1,0,0,0,0|1,0,1]=4 843 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)O ff077531db063e0801e78b8495e2d8d6 [1,1,0,0,0,0|1,0,1]=4 844 B11R0.39 C#CC[C@@H](NC(=O)C)C(=O)OC 0ca1799a54604a4e562e57cf7c871e1c [1,1,0,0,0,0|0,0,2]=4 845 B11R0.39 C=CC[C@H](NC(=O)C)C(=O)OC ccbedc2a403c439e3cc7808fc1409e09 [1,1,0,0,0,0|0,0,2]=4 846 B11R0.39 CCCC(NC(=O)C)C(=O)NC 924fa4ff7a1a6b32c66518a48c3b0431 [1,1,0,0,0,0|1,0,0]=3 847 B11R0.39 CCC[C@@H](NC(=O)C)C(=O)OC 8f5b72a11fa1a81dc5773708cb3e28dd [1,1,0,0,0,0|0,0,0]=2 848 B11R0.39 CCC[C@@H](NC(C)C)C(=O)OC 4e93b0023dc0463bff42df321c3745a1 [1,1,0,0,0,0|1,0,1]=4 849 B11R0.44 CCCC(C(=O)O)N(C)C(C)C 4ebfabd20a8fba87579220bee1e1ede1 [1,1,0,0,0,0|1,0,1]=4 850 B11R0.44 CSCC(C(=O)O)N(C)C(C)C e6d595b3fd683295901be36ec1bd9b5d [1,1,0,0,0,0|1,0,1]=4 851 B11R0.115 CCC(C)C(NC(C)C)C(=O)O c12f9801b131c7c8fafe779911f725bf [1,1,0,0,0,0|1,0,1]=4 852 B11R0.115 CCC(O)C(NC(C)C)C(=O)O 50873d8c4c7762c131c31e02bcff8285 [1,1,0,0,0,0|1,0,1]=4 853 B11R0.115 CC[C@@H](C)[C@@H](NC(C)C)C(=O)O fd8075a1a5fe5db00cdb277c85e37993 [1,1,0,0,0,0|1,0,1]=4 854 B11R0.115 CC[C@@H](C)[C@H](NC(C)C)C(=O)O 1b0195f88bf3ea31d63ac254a4dd079c [1,1,0,0,0,0|1,0,1]=4 855 B11R0.115 CC[C@H](C)[C@@H](NC(C)C)C(=O)O 4212818d93a7337121a0050796698268 [1,1,0,0,0,0|1,0,1]=4 856 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N c2b1dea27f4d6e09ec5b44da0736735e [1,1,0,0,0,0|1,0,0]=3 857 B11R0.115 CC[C@H](C)[C@H](NC(C)C)C(=O)O d5a61f6b9eb14e6b224d870d55510427 [1,1,0,0,0,0|1,0,1]=4 858 B11R0.181 CCCC(C)(NC(C)C)C(=O)O 47ca206e258a0e831c61a9863426d107 [1,1,0,0,0,0|1,0,1]=4 859 B11R0.181 CCC[C@@](C)(NC(C)C)C(=O)O b8cda1daf98bac7bd0fc0573f1ee4eb7 [1,1,0,0,0,0|1,0,1]=4 860 B11R0.181 CCC[C@](C)(NC(C)C)C(=O)O 5a591466633e45a1e360d9012eacd04f [1,1,0,0,0,0|1,0,1]=4 861 B11R0.236 C#CC(C)NC(CCC)C(=O)O d414eabfb69f9d943a3343b3479c5418 [1,1,0,0,0,0|1,0,1]=4 862 B11R0.236 C#CC(C)NC(CCS)C(=O)O 9675ef1c6ad7c6c425c516dc5c3fb3a0 [1,1,0,0,0,0|1,0,1]=4 863 B11R0.236 C#CC(C)NC(CSC)C(=O)O c4a49db027361e350d00d40a2d7422e5 [1,1,0,0,0,0|1,0,1]=4 864 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)O 773432b45b822511fbc01005349576f1 [1,1,0,0,0,0|1,0,1]=4 865 B11R0.236 C#CC(C)N[C@@H](CCS)C(=O)O 0bf34f68b26a61794990d6cc87c09772 [1,1,0,0,0,0|1,0,1]=4 866 B11R0.236 C#CC(C)N[C@@H](CSC)C(=O)O d5294aae2910a82e6a5b383c318b71d3 [1,1,0,0,0,0|1,0,1]=4 867 B11R0.236 C#CC(C)N[C@H](CCC)C(=O)O b6730806ed1ebc564789c46e6aab2fa9 [1,1,0,0,0,0|1,0,1]=4 868 B11R0.236 C#CC(C)N[C@H](CCS)C(=O)O e8cce69533977b151dae73c367f0229f [1,1,0,0,0,0|1,0,1]=4 869 B11R0.236 C#CC(C)N[C@H](CSC)C(=O)O 090da6b7ae1a2095bddb2f923a17a1f3 [1,1,0,0,0,0|1,0,1]=4 870 B11R0.236 C#C[C@@H](C)NC(CCC)C(=O)O b73ede9aa803743063139b6fc95eed6b [1,1,0,0,0,0|1,0,1]=4 871 B11R0.236 C#C[C@@H](C)N[C@@H](CCC)C(=O)O eebcc76c77b1bab572f76bfc1d81b73c [1,1,0,0,0,0|1,0,1]=4 872 B11R0.236 C#C[C@H](C)NC(CCC)C(=O)O cc267f469526dc9386af5f1a5070d12f [1,1,0,0,0,0|1,0,1]=4 873 B11R0.236 C#C[C@H](C)N[C@@H](CCC)C(=O)O c249161111f9cc935feae03ce9fdbdbe [1,1,0,0,0,0|1,0,1]=4 874 B11R0.236 C=C(C=O)OC(CCC)C(=O)O cc2ccc386bd4c97f39264c7caf98fa7e [1,1,0,0,0,0|1,0,1]=4 875 B11R0.236 C=C(C=O)O[C@@H](CCC)C(=O)O e5c54ffd44031a54315ebab161acc655 [1,1,0,0,0,0|1,0,1]=4 876 B11R0.236 C=CC(C)NC(CCC)C(=O)O 50adb1c93ea7aaf303000c226de7c87a [1,1,0,0,0,0|1,0,1]=4 877 B11R0.236 C=CC(C)NC(CCS)C(=O)O 893c66b6d0188824650ace043a899abe [1,1,0,0,0,0|1,0,1]=4 878 B11R0.236 C=CC(C)NC(CSC)C(=O)O 473084d7f7b38ae943440b4e458da12a [1,1,0,0,0,0|1,0,1]=4 879 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 987b1b74bdebdee9c35f8d64e676fb4d [1,1,0,0,0,0|1,0,1]=4 880 B11R0.236 C=CC(C)N[C@@H](CCS)C(=O)O 163e661081da965648cae1e86f947579 [1,1,0,0,0,0|1,0,1]=4 881 B11R0.236 C=CC(C)N[C@@H](CSC)C(=O)O 65ba89e73bcbea51a37e018a90d5168f [1,1,0,0,0,0|1,0,1]=4 882 B11R0.236 C=CC(C)N[C@H](CCC)C(=O)O 5faa14f96d7e561588099b6625064cf0 [1,1,0,0,0,0|1,0,1]=4 883 B11R0.236 C=CC(C)N[C@H](CCS)C(=O)O 41355f7df1c50563801c44fc4a47c479 [1,1,0,0,0,0|1,0,1]=4 884 B11R0.236 C=CC(C)N[C@H](CSC)C(=O)O 3dfb54ef51ee39fdf1b4206c146524e1 [1,1,0,0,0,0|1,0,1]=4 885 B11R0.236 CC(C#N)NC(CCS)C(=O)O 0757b473ba6959aa22cc7f8e41ecae0d [1,1,0,0,0,0|1,0,1]=4 886 B11R0.236 CC(C#N)N[C@@H](CCS)C(=O)O ef6094f07c62097d87354cded8c170a1 [1,1,0,0,0,0|1,0,1]=4 887 B11R0.236 CC(C#N)N[C@H](CCS)C(=O)O 9c227273626eb0c6ec95188187cd954a [1,1,0,0,0,0|1,0,1]=4 888 B11R0.236 CC(C=O)NC(CCO)C(=O)O 244081b9f45e0bda8eac77435d442484 [1,1,0,0,0,0|0,1,1]=4 889 B11R0.236 CC(C=O)NC(CCS)C(=O)O 0264f6395d7e17a3b2941d220550a1e9 [1,1,0,0,0,0|0,0,1]=3 890 B11R0.236 CC(C=O)N[C@@H](CCO)C(=O)O 67fef15a99cc3b35b7c37b9c77dea4db [1,1,0,0,0,0|0,1,1]=4 891 B11R0.236 CC(C=O)N[C@@H](CCS)C(=O)O 00d18875bb665d07df0656c71ba92547 [1,1,0,0,0,0|0,0,1]=3 892 B11R0.236 CC(C=O)N[C@H](CCO)C(=O)O 68d94e675309d34381831ff5bcf603e6 [1,1,0,0,0,0|0,1,1]=4 893 B11R0.236 CC(C=O)N[C@H](CCS)C(=O)O e21686011246c8bb6b91b168cf90b1b6 [1,1,0,0,0,0|0,0,1]=3 894 B11R0.236 CC(CO)NC(CCS)C(=O)O 3cdba9909f18d6b0b11cb9b5314fa6c9 [1,1,0,0,0,0|0,0,2]=4 895 B11R0.236 CC(CO)N[C@@H](CCS)C(=O)O cd093e2e8129f92c613fe6644e0c7eb4 [1,1,0,0,0,0|0,0,2]=4 896 B11R0.236 CC(CO)N[C@H](CCS)C(=O)O b4c1cccb1b5f5c676fb894efe605acb5 [1,1,0,0,0,0|0,0,2]=4 897 B11R0.236 CCC(C)NC(CCS)C(=O)O 463fc7928a7705b6ea8ada9e3c194198 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7809b41b83f873e5e00f9629a9c99d8f [1,1,0,0,0,0|0,0,2]=4 909 B11R0.236 CCCC(OC(C)C=O)C(=O)O a3433eb09ee8ab26054319252a8c0b1c [1,1,0,0,0,0|1,0,1]=4 910 B11R0.236 CCCC(O[C@H](C)C=O)C(=O)O 75824f18043f33f9c467eb1b304c1a22 [1,1,0,0,0,0|1,0,1]=4 911 B11R0.236 CCC[C@@H](NC(C)C=O)C(=O)O 7bd2c7691674645e618d1a1e70adb510 [1,1,0,0,0,0|0,0,1]=3 912 B11R0.236 CCC[C@@H](NC(C)CC)C(=O)O 6979f146d55dd8f700686e8f50de50e6 [1,1,0,0,0,0|1,0,1]=4 913 B11R0.236 CCC[C@@H](NC(C)CO)C(=O)O f8092c82d8d2e4560d02c58a8fdf4ab5 [1,1,0,0,0,0|0,0,2]=4 914 B11R0.236 CCC[C@@H](N[C@@H](C)CO)C(=O)O 3f1f12e7c8c4e36e54dabbeb8b9b049c [1,1,0,0,0,0|0,0,2]=4 915 B11R0.236 CCC[C@@H](N[C@H](C)C=O)C(=O)O 21d15376d21a2b467a3d14b57c03388b [1,1,0,0,0,0|0,0,1]=3 916 B11R0.236 CCC[C@@H](N[C@H](C)CO)C(=O)O 347b03ce08ef0da1d61cb7f50146f378 [1,1,0,0,0,0|0,0,2]=4 917 B11R0.236 CCC[C@@H](OC(C)C=O)C(=O)O 8e02986f162c83df27df59a08c44dcf0 [1,1,0,0,0,0|1,0,1]=4 918 B11R0.236 CCC[C@@H](O[C@H](C)C=O)C(=O)O 91ea9b1842d300abb9bc288df82f573d 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CCN[C@@H](CC(=O)NC)C(=O)O c8c8b1c26bd64b89c26e5f15618ce311 [1,1,0,0,0,0|2,0,0]=4 930 B11R0.236 CCN[C@@H](CC(=O)OC)C(=O)O b4541f6b233d6d29a8d7504486a688c8 [1,1,0,0,0,0|2,0,0]=4 931 B11R0.236 CCN[C@H](CC(=O)NC)C(=O)O e65ce0ced7a4cb90b7f9f41cf5315db1 [1,1,0,0,0,0|2,0,0]=4 932 B11R0.236 CCN[C@H](CC(=O)OC)C(=O)O e982c59281620e7555f1612876b83003 [1,1,0,0,0,0|2,0,0]=4 933 B11R0.236 CCO[C@H](CC(=O)OC)C(=O)O e75f6b942a02693a672bcd1b2bb64b3d [1,1,0,0,0,0|2,0,0]=4 934 B11R0.236 COCC(NC(C)C=O)C(=O)O e9c6561f7e4330c27bd738b7acfb247a [1,1,0,0,0,0|0,1,1]=4 935 B11R0.236 COCC(N[C@H](C)C=O)C(=O)O 7981998eb02bdd89bfbb5ea7f034f353 [1,1,0,0,0,0|0,1,1]=4 936 B11R0.236 COC[C@@H](NC(C)C=O)C(=O)O bf024d7ce6b4d8bff9e1ada2d98f7f3e [1,1,0,0,0,0|0,1,1]=4 937 B11R0.236 COC[C@@H](N[C@H](C)C=O)C(=O)O 1d947c329acf74c2c5637e695040350b [1,1,0,0,0,0|0,1,1]=4 938 B11R0.236 COC[C@H](NC(C)C=O)C(=O)O 0690676b6d500d25885ec034dd898fc2 [1,1,0,0,0,0|0,1,1]=4 939 B11R0.236 COC[C@H](N[C@H](C)C=O)C(=O)O 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CSC[C@@H](N[C@H](C)C=O)C(=O)O 66f44b10a54e92469cbf64481cfb7212 [1,1,0,0,0,0|0,0,1]=3 951 B11R0.236 CSC[C@@H](N[C@H](C)CO)C(=O)O f4fd67baab4558c8bc5e20e7113a973f [1,1,0,0,0,0|0,0,2]=4 952 B11R0.236 CSC[C@H](NC(C)C=O)C(=O)O 57721b942a043426d56acbd9c88e69d9 [1,1,0,0,0,0|0,0,1]=3 953 B11R0.236 CSC[C@H](NC(C)CO)C(=O)O c05d4eec03787af1ffd8895ba270d268 [1,1,0,0,0,0|0,0,2]=4 954 B11R0.236 CSC[C@H](N[C@@H](C)CO)C(=O)O 39cf4f00a8e8386c901f06f72ddb0b93 [1,1,0,0,0,0|0,0,2]=4 955 B11R0.236 CSC[C@H](N[C@H](C)C=O)C(=O)O 589fa66d021e1bc6426a487243500b6e [1,1,0,0,0,0|0,0,1]=3 956 B11R0.236 CSC[C@H](N[C@H](C)CO)C(=O)O 5fb22ecfe401ec2b0f3e1c71e364c76d [1,1,0,0,0,0|0,0,2]=4 957 B11R0.236 C[C@@H](CO)NC(CCS)C(=O)O 967c93a4e633704e9b6148242e740d34 [1,1,0,0,0,0|0,0,2]=4 958 B11R0.236 C[C@@H](CO)N[C@@H](CCS)C(=O)O 49a1a626b9f26863b0d91b25339958cc [1,1,0,0,0,0|0,0,2]=4 959 B11R0.236 C[C@@H](CO)N[C@H](CCS)C(=O)O efe4bd24951e996f42298699ef4f5906 [1,1,0,0,0,0|0,0,2]=4 960 B11R0.236 C[C@H](C=O)NC(CCO)C(=O)O 2ccba2601d43c50670ae2454298b3f54 [1,1,0,0,0,0|0,1,1]=4 961 B11R0.236 C[C@H](C=O)NC(CCS)C(=O)O 3b1109bffbe5da2d82291a8aac0c50f2 [1,1,0,0,0,0|0,0,1]=3 962 B11R0.236 C[C@H](C=O)N[C@@H](CCO)C(=O)O 82f0be4c2e35f80867bf26fb3f35affb [1,1,0,0,0,0|0,1,1]=4 963 B11R0.236 C[C@H](C=O)N[C@@H](CCS)C(=O)O a866395766278dee0d0a47770cd2df12 [1,1,0,0,0,0|0,0,1]=3 964 B11R0.236 C[C@H](C=O)N[C@H](CCO)C(=O)O 69fed59dd998c724a6262e171c6b4132 [1,1,0,0,0,0|0,1,1]=4 965 B11R0.236 C[C@H](C=O)N[C@H](CCS)C(=O)O 8d6a6eaf9607e4115bd8618a22ff1823 [1,1,0,0,0,0|0,0,1]=3 966 B11R0.236 C[C@H](CO)NC(CCS)C(=O)O 0c4fec481b0b5af1e4415d48eb404e9d [1,1,0,0,0,0|0,0,2]=4 967 B11R0.236 C[C@H](CO)N[C@@H](CCS)C(=O)O 8bac078d6ca2201ea20d10e7f9a9cc74 [1,1,0,0,0,0|0,0,2]=4 968 B11R0.236 C[C@H](CO)N[C@H](CCS)C(=O)O e2c78027e97d8516aac74fcbf24b3c7d [1,1,0,0,0,0|0,0,2]=4 969 B11R0.77 CC[C@@H](COCSC)NC(=O)C 4c28124eb257eb321817f091562dd410 [1,1,0,0,0,0|1,0,1]=4 970 B11R0.166 C#CC(=O)NC(CO)CCSC fcef64101c31a39e2bd5ec71f86573ec [1,1,0,0,0,0|0,0,2]=4 971 B11R0.166 C#CC(=O)N[C@@H](CO)CCSC 93bc37e121b474396e1389816d861e50 [1,1,0,0,0,0|0,0,2]=4 972 B11R0.166 C#CC(=O)N[C@H](CO)CCSC 1948e43f9d77fa3f4b3fd11befb70b05 [1,1,0,0,0,0|0,0,2]=4 973 B11R0.166 C=CC(=O)NC(CO)CCSC 6a3d9e67f54523694047085518124680 [1,1,0,0,0,0|0,0,2]=4 974 B11R0.166 C=CC(=O)N[C@@H](CO)CCSC 48e5cbfced7725350e9f726dffeaed32 [1,1,0,0,0,0|0,0,2]=4 975 B11R0.166 C=CC(=O)N[C@H](CO)CCSC cbcc754a0e6946c02229cd0cafaac512 [1,1,0,0,0,0|0,0,2]=4 976 B11R0.166 CCC(=O)NC(CO)CCSC 2312395d189581e6fd9708dde6dd3fb9 [1,1,0,0,0,0|0,0,1]=3 977 B11R0.166 CCC(=O)N[C@@H](CO)CCSC 2bfad0324bc5043b622a12954b550945 [1,1,0,0,0,0|0,0,1]=3 978 B11R0.166 CCC(=O)N[C@H](CO)CCSC 28ecfe7a00c51ef72dd2bf5f55da9146 [1,1,0,0,0,0|0,0,1]=3 979 B11R0.166 CCCCC(CO)NC(=O)CC c5530ebaf537e16b830276aeb8f2aaaf [1,1,0,0,0,0|1,0,1]=4 980 B11R0.166 CCCCC(CO)NC(=O)CF 94fd960404d985e75ff15ee85939acf2 [1,1,0,0,0,0|1,0,1]=4 981 B11R0.166 CCCCC(CO)NC(=O)CO 281fd83676d4e8ea7729e86b579f1d5d [1,1,0,0,0,0|1,0,1]=4 982 B11R0.166 CCCCC(CO)NC(=O)CS 0f94907e8b5d0728b8c7c60faf1d08ec [1,1,0,0,0,0|1,0,1]=4 983 B11R0.166 CCCC[C@@H](CO)NC(=O)CC 0fdead6b362da9b59c99859384a0b6ed [1,1,0,0,0,0|1,0,1]=4 984 B11R0.166 CCCC[C@@H](CO)NC(=O)CF 3dc083370213a74123316cb10bcd6cb0 [1,1,0,0,0,0|1,0,1]=4 985 B11R0.166 CCCC[C@@H](CO)NC(=O)CO 6274d7d557ca6deeade4d038cafb8d85 [1,1,0,0,0,0|1,0,1]=4 986 B11R0.166 CCCC[C@@H](CO)NC(=O)CS 253d47299e17dea8ee09f995c45b1c08 [1,1,0,0,0,0|1,0,1]=4 987 B11R0.166 CCCC[C@H](CO)NC(=O)CC 924d12709cd40d77085b1e72a8c0bb56 [1,1,0,0,0,0|1,0,1]=4 988 B11R0.166 CCCC[C@H](CO)NC(=O)CF 996f8432be46b94660cf354a6b598039 [1,1,0,0,0,0|1,0,1]=4 989 B11R0.166 CCCC[C@H](CO)NC(=O)CO a1e7d809044857489eef4ec985eafcf8 [1,1,0,0,0,0|1,0,1]=4 990 B11R0.166 CCCC[C@H](CO)NC(=O)CS 6f2d39cb078309950e1334958a2e6ae5 [1,1,0,0,0,0|1,0,1]=4 991 B11R0.166 COC(=O)CN(C=O)CCSC 7e00dbe71f7f10e4584729c6cd7565a3 [1,1,0,0,0,0|2,0,0]=4 992 B11R0.166 CSCCC(CO)NC(=O)C=O c9064bd6b688d72427c439b7083afd41 [1,1,0,0,0,0|0,0,2]=4 993 B11R0.166 CSCCC(CO)NC(=O)CF 13c1ddb52c6b672b009dc1b5832db6dd [1,1,0,0,0,0|0,0,1]=3 994 B11R0.166 CSCCC(CO)NC(=O)CO e50390d20d24f16dc58f26c317955c4b [1,1,0,0,0,0|0,0,1]=3 995 B11R0.166 CSCCC(CO)NC(=O)CS 75774fb4b68f6a9723264350200defc8 [1,1,0,0,0,0|0,0,1]=3 996 B11R0.166 CSCCC(CO)NC(C)C=O 587129c598813c234d115a4914d2fb93 [1,1,0,0,0,0|0,0,2]=4 997 B11R0.166 CSCCC(CO)N[C@H](C)C=O c2e2bd0d1c008313a68eb196353f9f77 [1,1,0,0,0,0|0,0,2]=4 998 B11R0.166 CSCC[C@@H](CO)NC(=O)C=O 72da21e51273a6cfd3ab0dad7f6a24f5 [1,1,0,0,0,0|0,0,2]=4 999 B11R0.166 CSCC[C@@H](CO)NC(=O)CF 227a3d34a4614b580e0d6b30080f517d [1,1,0,0,0,0|0,0,1]=3 1000 B11R0.166 CSCC[C@@H](CO)NC(=O)CO f78369160b502d4574473aef2c1446e6 [1,1,0,0,0,0|0,0,1]=3 1001 B11R0.166 CSCC[C@@H](CO)NC(=O)CS 2efa7a7557dd648bc6a82a19da00b6fe [1,1,0,0,0,0|0,0,1]=3 1002 B11R0.166 CSCC[C@@H](CO)NC(C)C=O 59117051a19f883f4423a23bdcf5df09 [1,1,0,0,0,0|0,0,2]=4 1003 B11R0.166 CSCC[C@@H](CO)N[C@H](C)C=O 6006e1bea41cc018599d56c4d6dc3c76 [1,1,0,0,0,0|0,0,2]=4 1004 B11R0.166 CSCC[C@H](CO)NC(=O)C=O f10eb91083063fb0f61aa27bb87bbb28 [1,1,0,0,0,0|0,0,2]=4 1005 B11R0.166 CSCC[C@H](CO)NC(=O)CF 7e4979c9ea75ffb421ad9774e3c2b7c0 [1,1,0,0,0,0|0,0,1]=3 1006 B11R0.166 CSCC[C@H](CO)NC(=O)CO e37ac0e08c11c1254d62fb554dd13a29 [1,1,0,0,0,0|0,0,1]=3 1007 B11R0.166 CSCC[C@H](CO)NC(=O)CS 9cf514a9e71a1f6328ef71fd903534fa [1,1,0,0,0,0|0,0,1]=3 1008 B11R0.166 CSCC[C@H](CO)NC(C)C=O 3a804e63df3d96edc61065ed20a88978 [1,1,0,0,0,0|0,0,2]=4 1009 B11R0.166 CSCC[C@H](CO)N[C@H](C)C=O 22ad7b351ca2560adcffcb528974c89b [1,1,0,0,0,0|0,0,2]=4 1010 B11R0.8 CSCC[C@@H](NC=O)C(C)(C)O 01a8934801d80dae459d18188f6b3b2d [1,1,0,0,0,0|1,0,1]=4 1011 B11R0.36 C#CCCC(NCC=O)C(=O)O 9ff15dbf8302a8d5b6ea8a155828b103 [1,1,0,0,0,0|1,0,1]=4 1012 B11R0.36 C#CCC[C@@H](NCC=O)C(=O)O ba76d42463064df21551d2d33dadff65 [1,1,0,0,0,0|1,0,1]=4 1013 B11R0.36 C#CCC[C@H](NCC=O)C(=O)O b516aa370f302787f0c8a4574ada996c [1,1,0,0,0,0|1,0,1]=4 1014 B11R0.36 C#CCNC(CCSC)C(=O)O dee75bd93e7873df5973481bc30d1846 [1,1,0,0,0,0|0,0,2]=4 1015 B11R0.36 C#CCN[C@@H](CCSC)C(=O)O 0d5820be7141028f1f7d801544c29cd7 [1,1,0,0,0,0|0,0,2]=4 1016 B11R0.36 C#CCN[C@H](CCSC)C(=O)O 3511f66d724c5e6aa454194375076da6 [1,1,0,0,0,0|0,0,2]=4 1017 B11R0.36 C=CCCC(NCC=O)C(=O)O 7e8659d5f7b2cb2e3d808e7ffe94e2ee [1,1,0,0,0,0|1,0,1]=4 1018 B11R0.36 C=CCC[C@@H](NCC=O)C(=O)O ca1410abd35a031d465f2e0487e35025 [1,1,0,0,0,0|1,0,1]=4 1019 B11R0.36 C=CCC[C@H](NCC=O)C(=O)O bc8553c07c68b2550892aa50fcf9d334 [1,1,0,0,0,0|1,0,1]=4 1020 B11R0.36 C=CCNC(CCCC)C(=O)O 5d7e60a551c76a4c67bc3f59943d6c7d [1,1,0,0,0,0|1,0,1]=4 1021 B11R0.36 C=CCNC(CCSC)C(=O)O 0d0865baa81c2c9fe1376fd366744aa9 [1,1,0,0,0,0|0,0,1]=3 1022 B11R0.36 C=CCN[C@@H](CCCC)C(=O)O 52322a7d8b6289df39c25ff5a04b7b6d [1,1,0,0,0,0|1,0,1]=4 1023 B11R0.36 C=CCN[C@@H](CCOC)C(=O)O 76833c1cdc6a4e10aa2dfcfe85233731 [1,1,0,0,0,0|0,1,1]=4 1024 B11R0.36 C=CCN[C@@H](CCSC)C(=O)N 0957b8bb40a99669d7ba3a2ce1e4af57 [1,1,0,0,0,0|1,0,1]=4 1025 B11R0.36 C=CCN[C@@H](CCSC)C(=O)O 3e12bf5d4c9198483c77ea94e47e2d0e [1,1,0,0,0,0|0,0,1]=3 1026 B11R0.36 C=CCN[C@H](CCCC)C(=O)O de18af324e65b0692b4630b6137326a8 [1,1,0,0,0,0|1,0,1]=4 1027 B11R0.36 C=CCN[C@H](CCSC)C(=O)O 8a447d227e21ba8c1ceaa87e713f4173 [1,1,0,0,0,0|0,0,1]=3 1028 B11R0.36 C=CCOC(CCSC)C(=O)O 223cd39f32046c19fa900af9856c606d [1,1,0,0,0,0|1,0,1]=4 1029 B11R0.36 CC#CC[C@@H](NCC=O)C(=O)O 4baad3d6c12d11d6b75b3f0f53c5e98a [1,1,0,0,0,0|1,0,1]=4 1030 B11R0.36 CC#CC[C@H](NCC=O)C(=O)O d33f224f25d25da0aa7594e8d2f7e7a3 [1,1,0,0,0,0|1,0,1]=4 1031 B11R0.36 CCCCC(NCC=O)C(=O)N 4046259642c7c24bea3672cbcdf6b10c [1,1,0,0,0,0|2,0,0]=4 1032 B11R0.36 CCCCC(NCC=O)C(=O)O 7a54b884ad27ba7d830d20125aef777c [1,1,0,0,0,0|1,0,0]=3 1033 B11R0.36 CCCCC(NCCC)C(=O)O 07745ad745f82fb418fdb310d8c0c2fb [1,1,0,0,0,0|1,0,1]=4 1034 B11R0.36 CCCCC(NCCF)C(=O)O 4cd40bcf883a6200ad3f9004619538f5 [1,1,0,0,0,0|1,0,1]=4 1035 B11R0.36 CCCCC(NCCI)C(=O)O 56b2026c3fa89f6b24b57d72840c637f [1,1,0,0,0,0|1,0,1]=4 1036 B11R0.36 CCCCC(NCCO)C(=O)O 7968d8500bf604ac53bd53fe064e93b7 [1,1,0,0,0,0|1,0,1]=4 1037 B11R0.36 CCCCC(NCOC)C(=O)O 29abda64b7cb86089156159b72e59f6d [1,1,0,0,0,0|1,0,1]=4 1038 B11R0.36 CCCCC(NCSC)C(=O)O d95287f1fac1a66a70726bec36151f6f [1,1,0,0,0,0|1,0,1]=4 1039 B11R0.36 CCCCC(OCC=O)C(=O)O dd5fa09ccd0878f593556efd411ff268 [1,1,0,0,0,0|2,0,0]=4 1040 B11R0.36 CCCC[C@@H](NCC=O)C(=O)O 9e897ad0ff845a3471953a31b0d2c882 [1,1,0,0,0,0|1,0,0]=3 1041 B11R0.36 CCCC[C@@H](NCCC)C(=O)O 3f08467579db3dc7f36835f120f0ca32 [1,1,0,0,0,0|1,0,1]=4 1042 B11R0.36 CCCC[C@@H](NCCF)C(=O)O 9efe343005fa5b416d066fc67fcd02a2 [1,1,0,0,0,0|1,0,1]=4 1043 B11R0.36 CCCC[C@@H](NCCO)C(=O)O 475875d376e586a00b98dada6db2d5cc [1,1,0,0,0,0|1,0,1]=4 1044 B11R0.36 CCCC[C@@H](NCOC)C(=O)O 5893dfbd03f45a17ddc064ce4c2f9c2f [1,1,0,0,0,0|1,0,1]=4 1045 B11R0.36 CCCC[C@@H](NCSC)C(=O)O d44a78d8f8b449edf796e97c9ba509ff [1,1,0,0,0,0|1,0,1]=4 1046 B11R0.36 CCCC[C@@H](OCC=O)C(=O)O c78a6b056a5e5b03febac651ced2c35d [1,1,0,0,0,0|2,0,0]=4 1047 B11R0.36 CCCC[C@H](NCC=O)C(=O)O 6dcbc735b5fbad1e45489a69df8076c6 [1,1,0,0,0,0|1,0,0]=3 1048 B11R0.36 CCCC[C@H](NCCC)C(=O)O 1d4aa0e17eb2440477b1c3cbff85880c [1,1,0,0,0,0|1,0,1]=4 1049 B11R0.36 CCCC[C@H](NCCF)C(=O)O 993cf0a2638929f4fe7804a5932b72ff [1,1,0,0,0,0|1,0,1]=4 1050 B11R0.36 CCCC[C@H](NCCO)C(=O)O 69bc5327caec27e05382ff1305d09223 [1,1,0,0,0,0|1,0,1]=4 1051 B11R0.36 CCCC[C@H](NCOC)C(=O)O 72558cb11e9ee69134d2880b594b724e [1,1,0,0,0,0|1,0,1]=4 1052 B11R0.36 CCCC[C@H](NCSC)C(=O)O 2db85255d4d8ec10260ea38d28399738 [1,1,0,0,0,0|1,0,1]=4 1053 B11R0.36 CCCC[C@H](OCC=O)C(=O)O d7c228351ed6731b314d15104a1ba2e2 [1,1,0,0,0,0|2,0,0]=4 1054 B11R0.36 CCCNC(CCSC)C(=O)O 18dbe47780ff4936ef263cb86396d653 [1,1,0,0,0,0|0,0,1]=3 1055 B11R0.36 CCCN[C@@H](CCOC)C(=O)O 98e2abb4b3595b1eb80793cce08ae180 [1,1,0,0,0,0|0,1,1]=4 1056 B11R0.36 CCCN[C@@H](CCSC)C(=O)N 1a06da1c2acccc0970bbb6faa1098e50 [1,1,0,0,0,0|1,0,1]=4 1057 B11R0.36 CCCN[C@@H](CCSC)C(=O)O 5b579e381de293aee1444296b9509a79 [1,1,0,0,0,0|0,0,1]=3 1058 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CSCCNC(C(=O)C)C(=O)C 36d6f226c5ae25f926581c782a0dceb5 [0,1,0,0,1,0|1,0,0]=3 1179 B11R0.153 CSCCNC(C(=O)N)C(=O)N 5572e7fc58ff0542fcb8ba7ab6d5ba15 [0,1,0,0,1,0|2,0,0]=4 1180 B11R0.153 CSCCNC(C(=O)O)C(=O)O 5d1d7811947a687a5e3a901b1fe754bc [0,1,0,0,1,0|1,0,0]=3 1181 B11R0.153 CSCCNC(C(=O)O)C(C)C 0fed3351c5cee208ff693e24ffbd5f4e [0,1,0,0,1,0|1,0,1]=4 1182 B11R0.153 CSCCNC(C(=O)O)C(C)F 66a1f3baaaafa4d7e8b6a782912915af [0,1,0,0,1,0|1,0,1]=4 1183 B11R0.153 CSCCNC(C(=O)O)C(C)O ce74ed0c41ebacae1b2ce3053a6fbee4 [0,1,0,0,1,0|0,0,2]=4 1184 B11R0.153 CSCCNC(C(=O)O)[C@H](C)O a16e907039a226400c47510209c9155c [0,1,0,0,1,0|0,0,2]=4 1185 B11R0.153 CSCCN[C@@H](C(=O)O)C(C)C 2e915457d504bf1e8ea1dc7c3881e473 [0,1,0,0,1,0|1,0,1]=4 1186 B11R0.153 CSCCN[C@@H](C(=O)O)[C@@H](C)O f4130bb167f83c1a99c76baf779f8931 [0,1,0,0,1,0|0,0,2]=4 1187 B11R0.153 CSCCN[C@@H](C(=O)O)[C@H](C)O aad949b6b30391a830a6789012a2806c [0,1,0,0,1,0|0,0,2]=4 1188 B11R0.153 CSCCN[C@H](C(=O)O)C(C)C 73c350075e122e970cd1835642b5f8a2 [0,1,0,0,1,0|1,0,1]=4 1189 B11R0.153 CSCCN[C@H](C(=O)O)[C@@H](C)O c075f2bd77c1bac6eac8704dd41212f5 [0,1,0,0,1,0|0,0,2]=4 1190 B11R0.153 CSCCN[C@H](C(=O)O)[C@H](C)O 0b43a57ec08c7351f3241119e0333b7e [0,1,0,0,1,0|0,0,2]=4 1191 B11R0.153 CSCCOC(C(=O)C)C(=O)C c52202e610e9859bb5c347b9b7a6210b [0,1,0,0,1,0|1,0,0]=3 1192 B11R0.153 CSCCOC(C(=O)O)C(=O)O c5d69ceca4b9770a5eebfbc0c9c8cecc [0,1,0,0,1,0|1,0,0]=3 1193 B11R0.153 CSCCOC(C(=O)O)C(C)C 226d8318b7a127b85bce1cd7caf44cfd [0,1,0,0,1,0|1,0,1]=4 1194 B11R0.153 CSCCO[C@@H](C(=O)O)C(C)C a1d56a8964a28753fa39e8ae769e80f2 [0,1,0,0,1,0|1,0,1]=4 1195 B11R0.153 CSCCO[C@H](C(=O)O)C(C)C 6df09626af7e4603b04c5ced7ae85b2c [0,1,0,0,1,0|1,0,1]=4 1196 B11R0.153 CSCNC[C@@H](C(=O)O)C(C)C 5f0a9d63b14c244016584af1287550c2 [0,1,0,0,1,0|1,0,1]=4 1197 B11R0.153 CSCNC[C@H](C(=O)O)C(C)C bb8b485b92ba55e875e6cdf2ba2b9efa [0,1,0,0,1,0|1,0,1]=4 1198 B11R0.153 CSCOCC(C(=O)O)N(C)C cde38c6712a93018557871c1a843e3ad [0,1,0,0,1,0|2,0,0]=4 1199 B11R0.153 CSCOC[C@@H](C(=O)O)N(C)C 904ef8ca292106789d7dea2b3ce5776f [0,1,0,0,1,0|2,0,0]=4 1200 B11R0.153 CSCOC[C@H](C(=O)O)C(C)C 84eb1c62d15949f7078f89e514eb535b [0,1,0,0,1,0|1,0,1]=4 1201 B13R0.13 CCCCC(NCS(=O)(=O)C)C(=O)O da612548525ad94049b9f7610e049179 [0,1,0,0,0,1|2,0,0]=4 1202 B13R0.13 CCCC[C@@H](NCS(=O)(=O)C)C(=O)O 54f4f83a2f042722ee80d9f1c9b53af9 [0,1,0,0,0,1|2,0,0]=4 1203 B13R0.13 CCCC[C@H](NCS(=O)(=O)C)C(=O)O 3184fdc8d6c32bd7ed3591aea49c4035 [0,1,0,0,0,1|2,0,0]=4 1204 B13R0.13 COCC[C@H](NCS(=O)(=O)C)C(=O)O f24df387653d1e8c9b5f716e95ea414e [0,1,0,0,0,1|1,1,0]=4 1205 B13R0.13 CSCCC(NCC(C)(C)C)C(=O)O c04f258ffbfcb504727a65cf737baa59 [0,1,0,0,0,1|1,0,1]=4 1206 B13R0.13 CSCCC(NCC(C)(C)F)C(=O)O 53a33c3cf26162c76143dd42e951f077 [0,1,0,0,0,1|1,0,1]=4 1207 B13R0.13 CSCCC(NCC(C)(C)O)C(=O)O db469c449a9717c48e87ca440a2c2d2c [0,1,0,0,0,1|0,0,2]=4 1208 B13R0.13 CSCCC(NCC(C)(F)F)C(=O)O bc46eaa31183889b5d27f50f51d91d21 [0,1,0,0,0,1|1,0,1]=4 1209 B13R0.13 CSCCC(NCS(=O)(=O)C)C(=O)O 9233852e99e10fc97c8f42ca746e7402 [0,1,0,0,0,1|1,0,0]=3 1210 B13R0.13 CSCCC(NCS(=O)(=O)O)C(=O)O 6c000b1584d148fa868675999eb18eba [0,1,0,0,0,1|2,0,0]=4 1211 B13R0.13 CSCC[C@@H](NCC(C)(C)C)C(=O)O 49f875b0a4f498178f3d0090dbd1c6f0 [0,1,0,0,0,1|1,0,1]=4 1212 B13R0.13 CSCC[C@@H](NCC(C)(C)F)C(=O)O bfb89d4234c49b7c0777c379b51c15cb [0,1,0,0,0,1|1,0,1]=4 1213 B13R0.13 CSCC[C@@H](NCC(C)(C)O)C(=O)O 9b1dba6fa2e014271250e1ed3ca9427b [0,1,0,0,0,1|0,0,2]=4 1214 B13R0.13 CSCC[C@@H](NCC(C)(F)F)C(=O)O 16ecf7e547b72e8e1b06319469969480 [0,1,0,0,0,1|1,0,1]=4 1215 B13R0.13 CSCC[C@@H](NCS(=O)(=O)C)C(=O)O d4c3b4cc7d1653a6053f646002709ad4 [0,1,0,0,0,1|1,0,0]=3 1216 B13R0.13 CSCC[C@@H](NCS(=O)(=O)O)C(=O)O bf242687ce629efdbf98ca50ba595765 [0,1,0,0,0,1|2,0,0]=4 1217 B13R0.13 CSCC[C@H](NCC(C)(C)C)C(=O)O 0891ba1a550d58f7095dcc664b8d4410 [0,1,0,0,0,1|1,0,1]=4 1218 B13R0.13 CSCC[C@H](NCC(C)(C)F)C(=O)O d38c8d4d433e37825c7d86e11639d275 [0,1,0,0,0,1|1,0,1]=4 1219 B13R0.13 CSCC[C@H](NCC(C)(C)O)C(=O)O 0d3c120571ced8951cd060d8f4776690 [0,1,0,0,0,1|0,0,2]=4 1220 B13R0.13 CSCC[C@H](NCC(C)(F)F)C(=O)O 7829564d24f5dafdf3fe774d6e784180 [0,1,0,0,0,1|1,0,1]=4 1221 B13R0.13 CSCC[C@H](NCS(=O)(=O)C)C(=O)N d4afe12a482aa3adb57d387bf331651a [0,1,0,0,0,1|2,0,0]=4 1222 B13R0.13 CSCC[C@H](NCS(=O)(=O)C)C(=O)O c08c8a497fb5163d741bef5b379f7e58 [0,1,0,0,0,1|1,0,0]=3 1223 B13R0.13 CSCC[C@H](NCS(=O)(=O)O)C(=O)O 3c8247d17aca4d9229fe700d9a181b52 [0,1,0,0,0,1|2,0,0]=4 1224 B13R0.53 C=C(C)CC[C@@H](NCC(=C)C)C(=O)O ddda14733e55eeba5f6ffaed55e36be3 [0,1,0,0,0,1|2,0,0]=4 1225 B13R0.53 C=C(C)CC[C@@H](NCC(=O)N)C(=O)O b73b4a99edec2ca12ab8c8a5a2dfe8a4 [0,1,0,0,0,1|2,0,0]=4 1226 B13R0.53 C=C(C)CC[C@H](NCC(=C)C)C(=O)O f666c426443f56466314e2280759c1d1 [0,1,0,0,0,1|2,0,0]=4 1227 B13R0.53 C=C(C)CC[C@H](NCC(=O)N)C(=O)O c3f02253c199f9fdd4d275470b00732b [0,1,0,0,0,1|2,0,0]=4 1228 B13R0.53 C=C(C)CNC(CCC(C)C)C(=O)O 1cffd13b16c759f8f7dccdd1286aa08d [0,1,0,0,0,1|2,0,0]=4 1229 B13R0.53 C=C(C)CNC(CCS(=O)C)C(=O)O ff338b84f43b8b3402528400eb394d3f [0,1,0,0,0,1|1,0,1]=4 1230 B13R0.53 C=C(C)CN[C@@H](CCC(C)C)C(=O)O ec1934c810217ed7523296a4d896b9f6 [0,1,0,0,0,1|2,0,0]=4 1231 B13R0.53 C=C(C)CN[C@@H](CCS(=O)C)C(=O)O cda96da2191cb8725176a252da827bf8 [0,1,0,0,0,1|1,0,1]=4 1232 B13R0.53 C=C(C)CN[C@H](CCC(C)C)C(=O)O 9348e7630dedbbb0369be1fa0265b69a [0,1,0,0,0,1|2,0,0]=4 1233 B13R0.53 C=C(C)CN[C@H](CCS(=O)C)C(=O)O 345f34766f2f26e994af0088b10fba51 [0,1,0,0,0,1|1,0,1]=4 1234 B13R0.53 CC(C)CCC(NCC(=O)N)C(=O)O 01f67c79d89fe3d2c817426698bf2fa3 [0,1,0,0,0,1|2,0,0]=4 1235 B13R0.53 CC(C)CCC(NCC(=O)O)C(=O)O e370777f9aab0426ca9421bf462db53a [0,1,0,0,0,1|2,0,0]=4 1236 B13R0.53 CC(C)CC[C@@H](NCC(=O)N)C(=O)O 8e9766d42ec30e491ad9b094fd03bc73 [0,1,0,0,0,1|2,0,0]=4 1237 B13R0.53 CC(C)CC[C@@H](NCC(=O)O)C(=O)O 657f094bee712a5dcefeb6f0151d8bc6 [0,1,0,0,0,1|2,0,0]=4 1238 B13R0.53 CC(C)CC[C@H](NCC(=O)N)C(=O)O 5a4be9e6706bc61878b9db64dcf7ea8d [0,1,0,0,0,1|2,0,0]=4 1239 B13R0.53 CC(C)CC[C@H](NCC(=O)O)C(=O)O 1fb8fa92ec8ccf349e60cb811936e250 [0,1,0,0,0,1|2,0,0]=4 1240 B13R0.53 CS(=O)CCC(NCC(=O)N)C(=O)O a84ff8dabe7ad0c18d5d17304a160ec1 [0,1,0,0,0,1|1,0,1]=4 1241 B13R0.53 CS(=O)CCC(NCC(=O)O)C(=O)O a279e2e8eb1fd4f8808cedabf0532226 [0,1,0,0,0,1|1,0,1]=4 1242 B13R0.53 CS(=O)CC[C@@H](NCC(=O)N)C(=O)O 0b7008b644aea8cb8c0a3d30256844f3 [0,1,0,0,0,1|1,0,1]=4 1243 B13R0.53 CS(=O)CC[C@@H](NCC(=O)O)C(=O)O cf3214805fbe8841f649a9bd6c9148bc [0,1,0,0,0,1|1,0,1]=4 1244 B13R0.53 CS(=O)CC[C@H](NCC(=O)N)C(=O)O d9e7e8320f93ccaad5dcea5d0ade7b8d [0,1,0,0,0,1|1,0,1]=4 1245 B13R0.53 CS(=O)CC[C@H](NCC(=O)O)C(=O)O 62fc2217f117c4f75e6abadd4df83df4 [0,1,0,0,0,1|1,0,1]=4 1246 B13R0.160 C#CCCC(NC(C)C(=O)C)C(=O)O 12fafe6c21983d7bc62d6bdcd0aba553 [0,1,0,0,0,1|1,0,1]=4 1247 B13R0.160 C#CCC[C@@H](NC(C)C(=O)C)C(=O)O d15e513ece9e7f185177c2bb56ea331a [0,1,0,0,0,1|1,0,1]=4 1248 B13R0.160 C#CCC[C@H](NC(C)C(=O)C)C(=O)O fc44263635b18de713ffba3d60b46263 [0,1,0,0,0,1|1,0,1]=4 1249 B13R0.160 C=C(C)C(=O)N[C@@H](CCSC)C(=O)N f643ee2f7fba8005e6308f41ffe756d6 [0,1,0,0,0,1|2,0,0]=4 1250 B13R0.160 C=CCCC(NC(C)C(=O)C)C(=O)O a483708087b9fd62e833f952829c5a34 [0,1,0,0,0,1|1,0,1]=4 1251 B13R0.160 C=CCC[C@@H](NC(C)C(=O)C)C(=O)O b46e97a3250001349c08e59970ba7db2 [0,1,0,0,0,1|1,0,1]=4 1252 B13R0.160 C=CCC[C@H](NC(C)C(=O)C)C(=O)O 401b11b900f05d282856683dcb413d70 [0,1,0,0,0,1|1,0,1]=4 1253 B13R0.160 CC#CC[C@@H](NC(C)C(=O)C)C(=O)O a11df9512818004d3d77d31ba72aaf95 [0,1,0,0,0,1|1,0,1]=4 1254 B13R0.160 CC#CC[C@H](NC(C)C(=O)C)C(=O)O 5d28a6d9832d5d9b35b299e4e91046ad [0,1,0,0,0,1|1,0,1]=4 1255 B13R0.160 CCCCC(NC(=O)C(=O)C)C(=O)N 314f9cd6fc94e6ac44545f7e651b6ead [0,1,0,0,0,1|2,0,0]=4 1256 B13R0.160 CCCCC(NC(C)C(=O)C)C(=O)N daa692c8ebb3fb6dcc7cebcb65af8778 [0,1,0,0,0,1|2,0,0]=4 1257 B13R0.160 CCCCC(NC(C)C(=O)C)C(=O)O d6c232322b03d070fa72fa425b0e6734 [0,1,0,0,0,1|1,0,0]=3 1258 B13R0.160 CCCCC(NC(C)C(=O)N)C(=O)O d1c91ef5fd928726bc0318494e72e2f5 [0,1,0,0,0,1|2,0,0]=4 1259 B13R0.160 CCCCC(NC(C)C(=O)O)C(=O)O d70c32cc1f156735d536aa2fd9ec0eed [0,1,0,0,0,1|2,0,0]=4 1260 B13R0.160 CCCCC(N[C@@H](C)C(=O)N)C(=O)O 30c17519e5206d377bed852930af09b6 [0,1,0,0,0,1|2,0,0]=4 1261 B13R0.160 CCCCC(N[C@@H](C)C(=O)O)C(=O)O 08e740e68af10d0f6d5bc52ebacd443c [0,1,0,0,0,1|2,0,0]=4 1262 B13R0.160 CCCCC(N[C@H](C)C(=O)N)C(=O)O 386cfb28bbf0c7043fe6977ae2052785 [0,1,0,0,0,1|2,0,0]=4 1263 B13R0.160 CCCCC(N[C@H](C)C(=O)O)C(=O)O 7b65ef0aa4cf02918a7d68c040c1de46 [0,1,0,0,0,1|2,0,0]=4 1264 B13R0.160 CCCC[C@@H](NC(C)C(=O)C)C(=O)O 9d70554533ce437c01356a0526071145 [0,1,0,0,0,1|1,0,0]=3 1265 B13R0.160 CCCC[C@@H](NC(C)C(=O)N)C(=O)O e276999246f683886137aa911bfbb2bd [0,1,0,0,0,1|2,0,0]=4 1266 B13R0.160 CCCC[C@@H](NC(C)C(=O)O)C(=O)O cd316c20b80da54b6a5a157484d07fad [0,1,0,0,0,1|2,0,0]=4 1267 B13R0.160 CCCC[C@@H](N[C@@H](C)C(=O)N)C(=O)O 9d4223d5104d4d9b89140a43ded95a70 [0,1,0,0,0,1|2,0,0]=4 1268 B13R0.160 CCCC[C@@H](N[C@@H](C)C(=O)O)C(=O)O 76becc121304d0fd59f0d441f51f6cb6 [0,1,0,0,0,1|2,0,0]=4 1269 B13R0.160 CCCC[C@@H](N[C@H](C)C(=O)N)C(=O)O abdaacc1ff8eac3540d4477dac5bac94 [0,1,0,0,0,1|2,0,0]=4 1270 B13R0.160 CCCC[C@@H](N[C@H](C)C(=O)O)C(=O)O a06fe942b0bd17c646655217d11b0cb8 [0,1,0,0,0,1|2,0,0]=4 1271 B13R0.160 CCCC[C@H](NC(C)C(=O)C)C(=O)O c7d0c109d4bb6c70b8dd64d94501a107 [0,1,0,0,0,1|1,0,0]=3 1272 B13R0.160 CCCC[C@H](NC(C)C(=O)N)C(=O)O 162eb73301cd97f43b1af8379fa8b732 [0,1,0,0,0,1|2,0,0]=4 1273 B13R0.160 CCCC[C@H](NC(C)C(=O)O)C(=O)O 94e74d0d4098a9548d613ecc5a34e292 [0,1,0,0,0,1|2,0,0]=4 1274 B13R0.160 CCCC[C@H](N[C@@H](C)C(=O)N)C(=O)O afcea5ea3eacaa29cc00e0b3f80651bc [0,1,0,0,0,1|2,0,0]=4 1275 B13R0.160 CCCC[C@H](N[C@@H](C)C(=O)O)C(=O)O b5c6eae7de41847b28ac4a1411673ce6 [0,1,0,0,0,1|2,0,0]=4 1276 B13R0.160 CCCC[C@H](N[C@H](C)C(=O)N)C(=O)O 470d30d8812aa5fc322f2aafee9b1d17 [0,1,0,0,0,1|2,0,0]=4 1277 B13R0.160 CCCC[C@H](N[C@H](C)C(=O)O)C(=O)O 2a7e26c8c4fe7218ccd3889e770c4eb1 [0,1,0,0,0,1|2,0,0]=4 1278 B13R0.160 CSCCC(NC(C)C(=O)C)C(=O)O 16a3f7061fc5d11575e583d9e212e867 [0,1,0,0,0,1|0,0,0]=2 1279 B13R0.160 CSCCC(NC(C)C(C)C)C(=O)O c2088523761086eb54f1e23307b0eaeb [0,1,0,0,0,1|1,0,1]=4 1280 B13R0.160 CSCCC(OC(C)C(=O)C)C(=O)N 364451e43c0475f77f3333e99a7d11cb [0,1,0,0,0,1|2,0,0]=4 1281 B13R0.160 CSCC[C@@H](NC(C)C(=O)C)C(=O)O 66e0ffeefb6881856eda2357860c4fef [0,1,0,0,0,1|0,0,0]=2 1282 B13R0.160 CSCC[C@@H](NC(C)C(C)C)C(=O)O 1c8296fbda6c6b9df4a636990ef75b32 [0,1,0,0,0,1|1,0,1]=4 1283 B13R0.160 CSCC[C@H](NC(=O)C(=O)C)C(=O)N cc782ad10014b6ab697151adf868b68b [0,1,0,0,0,1|1,0,0]=3 1284 B13R0.160 CSCC[C@H](NC(=O)C(=O)N)C(=O)N 124f08dce219df1ed9852c22d00be57c [0,1,0,0,0,1|2,0,0]=4 1285 B13R0.160 CSCC[C@H](NC(C)C(=O)C)C(=O)N 9e01d58d646e0cc2bfcdcbfd3bd60007 [0,1,0,0,0,1|1,0,0]=3 1286 B13R0.160 CSCC[C@H](NC(C)C(=O)C)C(=O)O 2b2aeb0b01cd85bed91e2d1e82e5f3ac [0,1,0,0,0,1|0,0,0]=2 1287 B13R0.160 CSCC[C@H](NC(C)C(=O)N)C(=O)N 6257601401a5eda5e5a4359148b4fd50 [0,1,0,0,0,1|2,0,0]=4 1288 B13R0.160 CSCC[C@H](NC(C)C(C)C)C(=O)O b3a11367e9dd97b576875aa35d7fb4cd [0,1,0,0,0,1|1,0,1]=4 1289 B13R0.160 CSCC[C@H](N[C@@H](C)C(=O)N)C(=O)N 699b62c1b1fe826092895acef2639270 [0,1,0,0,0,1|2,0,0]=4 1290 B13R0.160 CSCC[C@H](N[C@H](C)C(=O)N)C(=O)N 2da283e2dc20034660d820372ec7c2ff [0,1,0,0,0,1|2,0,0]=4 1291 B13R0.256 C=C(C)CNC(CC(C)CC)C(=O)O b9c379f02012e7627baafb19a904a56c [0,1,0,0,0,1|2,0,0]=4 1292 B13R0.256 CCC(C)CC(NCC(=O)N)C(=O)O 88eac8b50252baed625b9d38ca7e290a [0,1,0,0,0,1|2,0,0]=4 1293 B13R0.256 CCC(C)CC(NCC(=O)O)C(=O)O 10dffa9afec076f431df97d94587433c [0,1,0,0,0,1|2,0,0]=4 1294 B13R0.342 C=C(C)CNC(CCCC)C(=O)OC ab67f9aa5cacaf3aeb82629cfdeabcca [0,1,0,0,0,1|2,0,0]=4 1295 B13R0.342 C=C(C)COC(CCSC)C(=O)OC 83a7197ce7a3022d3c40ba0d7cb576c2 [0,1,0,0,0,1|2,0,0]=4 1296 B13R0.342 CCCCC(NCC(=O)C)C(=O)OC 5b1d6b2caa22d7550349cee42cd3ca8d [0,1,0,0,0,1|1,0,0]=3 1297 B13R0.342 CCCCC(OCC(=O)C)C(=O)OC 729507fa52d6c672277ce84a2ca250c6 [0,1,0,0,0,1|2,0,0]=4 1298 B13R0.342 COC(=O)C(CCSC)OCC(=O)N 529b49a84bab0344075ff2bd4821b7b8 [0,1,0,0,0,1|2,0,0]=4 1299 B13R0.342 COC(=O)C(CCSC)OCC(=O)O 536a03a9b364acc0da2308af2b8516c1 [0,1,0,0,0,1|2,0,0]=4 1300 B13R0.346 C=C(Br)CNC(CCCSC)C(=O)O 2d4fe807a9f34a011f0ee42d88afa4fe [0,1,0,0,0,1|1,0,1]=4 1301 B13R0.346 C=C(Br)CNC(CCSCC)C(=O)O 5f7a891d2b7808a24ecb3c1966e5281d [0,1,0,0,0,1|1,0,1]=4 1302 B13R0.346 C=C(Br)CN[C@@H](CCCSC)C(=O)O e54ae9ed4174fc794813fdce9886b67a [0,1,0,0,0,1|1,0,1]=4 1303 B13R0.346 C=C(Br)CN[C@@H](CCSCC)C(=O)O 20ea20fe6ebe0d8f665ed8a95e9c51a9 [0,1,0,0,0,1|1,0,1]=4 1304 B13R0.346 C=C(Br)CN[C@H](CCCSC)C(=O)O bdf7bb3a5bdf939487171356de39f317 [0,1,0,0,0,1|1,0,1]=4 1305 B13R0.346 C=C(Br)CN[C@H](CCSCC)C(=O)O f49d49cd1fccac0c742e2639cf5954ff [0,1,0,0,0,1|1,0,1]=4 1306 B13R0.346 C=C(C)CC[C@@H](NCCSC)C(=O)O 269636194bb86ae6b88920bb996a4924 [0,1,0,0,0,1|2,0,0]=4 1307 B13R0.346 C=C(C)CC[C@H](NCCSC)C(=O)O c1c4e009781a27f2fad5e4e161b783d8 [0,1,0,0,0,1|2,0,0]=4 1308 B13R0.346 C=C(C)CNC(CCCCC)C(=O)O 886b2ed5e2ff0148f10b93628a28b003 [0,1,0,0,0,1|2,0,0]=4 1309 B13R0.346 C=C(C)CNC(CCCSC)C(=O)O 5706962e6c0c756b3c0f88268d779f91 [0,1,0,0,0,1|1,0,0]=3 1310 B13R0.346 C=C(C)CNC(CCSCC)C(=O)O fd6682ee113b38b6b6573d35fd4d47ca [0,1,0,0,0,1|1,0,0]=3 1311 B13R0.346 C=C(C)CNC(CSCCC)C(=O)O 36b57126b8abf3c19e310d18b029e122 [0,1,0,0,0,1|2,0,0]=4 1312 B13R0.346 C=C(C)CN[C@@H](CCCCC)C(=O)O e074cedbc7b7bd8d1d167ecb9a5ed834 [0,1,0,0,0,1|2,0,0]=4 1313 B13R0.346 C=C(C)CN[C@@H](CCCCO)C(=O)O cc1dff12b3ff94d1ac5b4928c5622109 [0,1,0,0,0,1|2,0,0]=4 1314 B13R0.346 C=C(C)CN[C@@H](CCCSC)C(=O)O c143f46cea525706ea469d5710c9bc3e [0,1,0,0,0,1|1,0,0]=3 1315 B13R0.346 C=C(C)CN[C@@H](CCOCC)C(=O)O 2a1a29dc726dc942b74e5d34f2a2f414 [0,1,0,0,0,1|1,1,0]=4 1316 B13R0.346 C=C(C)CN[C@@H](CCSCC)C(=O)O c8af7644684ca2bd34e05da33a5eb968 [0,1,0,0,0,1|1,0,0]=3 1317 B13R0.346 C=C(C)CN[C@H](CCCCC)C(=O)O 1a997286dd38cb6861ebd1370e00f1b7 [0,1,0,0,0,1|2,0,0]=4 1318 B13R0.346 C=C(C)CN[C@H](CCCCO)C(=O)O ce53fbd6411479d64a5e37d42bbb1693 [0,1,0,0,0,1|2,0,0]=4 1319 B13R0.346 C=C(C)CN[C@H](CCCSC)C(=O)O 69fc185aa99b0364a0ccabcde3cb856a [0,1,0,0,0,1|1,0,0]=3 1320 B13R0.346 C=C(C)CN[C@H](CCSCC)C(=O)O a64046ee6a2dcb8f555e6af59b580bfb [0,1,0,0,0,1|1,0,0]=3 1321 B13R0.346 C=C(Cl)CNC(CCCSC)C(=O)O e28c43abaa2cd6ca51cf5e51fa9371ab [0,1,0,0,0,1|1,0,1]=4 1322 B13R0.346 C=C(Cl)CNC(CCSCC)C(=O)O 8eec8985ddcc291cc13bcf24f2ab1e79 [0,1,0,0,0,1|1,0,1]=4 1323 B13R0.346 C=C(Cl)CN[C@@H](CCCSC)C(=O)O ebb6067e804d9128804e7d6da7fcbab4 [0,1,0,0,0,1|1,0,1]=4 1324 B13R0.346 C=C(Cl)CN[C@@H](CCSCC)C(=O)O 01799ccaa6ee1fffb786c1b0d6130881 [0,1,0,0,0,1|1,0,1]=4 1325 B13R0.346 C=C(Cl)CN[C@H](CCCSC)C(=O)O bfee79abd0b6a137a31156ad53ecb86a [0,1,0,0,0,1|1,0,1]=4 1326 B13R0.346 C=C(Cl)CN[C@H](CCSCC)C(=O)O 5e7f5ecfdf6338d7a051553f98b59833 [0,1,0,0,0,1|1,0,1]=4 1327 B13R0.346 C=C(F)CNC(CCCSC)C(=O)O bc3e14e9a9c30da1a24f1ff26a03b9c1 [0,1,0,0,0,1|1,0,1]=4 1328 B13R0.346 C=C(F)CNC(CCSCC)C(=O)O a9c5d6778d212ea617b83694a61b7970 [0,1,0,0,0,1|1,0,1]=4 1329 B13R0.346 C=C(F)CN[C@@H](CCCSC)C(=O)O dd3a35c25071c040fea32a83bc1a431a [0,1,0,0,0,1|1,0,1]=4 1330 B13R0.346 C=C(F)CN[C@@H](CCSCC)C(=O)O 522716523c15042803a2ecb483062841 [0,1,0,0,0,1|1,0,1]=4 1331 B13R0.346 C=C(F)CN[C@H](CCCSC)C(=O)O 2513727efd09d9e46acecb2d88c565ca [0,1,0,0,0,1|1,0,1]=4 1332 B13R0.346 C=C(F)CN[C@H](CCSCC)C(=O)O 62b846ec47c2d0f45c6a2dd9e59503c9 [0,1,0,0,0,1|1,0,1]=4 1333 B13R0.346 CCCCCC(NCC(=O)N)C(=O)O e5a6fba69a5c365d1547a6cdae90a2d0 [0,1,0,0,0,1|2,0,0]=4 1334 B13R0.346 CCCCCC(NCC(=O)O)C(=O)O da5601b975ebacb9f90ffb79b65778fe [0,1,0,0,0,1|2,0,0]=4 1335 B13R0.346 CCCCC[C@@H](NCC(=O)N)C(=O)O d1da0e91095ff5d880683e08ab278281 [0,1,0,0,0,1|2,0,0]=4 1336 B13R0.346 CCCCC[C@@H](NCC(=O)O)C(=O)O b3986006c7c4044e6ba0817dac3577be [0,1,0,0,0,1|2,0,0]=4 1337 B13R0.346 CCCCC[C@H](NCC(=O)N)C(=O)O b2c95e379c5b9196433c95b877092240 [0,1,0,0,0,1|2,0,0]=4 1338 B13R0.346 CCCCC[C@H](NCC(=O)O)C(=O)O d9e6918c87448ffeb4078fe0ff47d048 [0,1,0,0,0,1|2,0,0]=4 1339 B13R0.346 CCCCNC(CNC(=O)N)C(=O)O 390981ad02f2c1e6b63bc8cdeb71341d [0,1,0,0,0,1|2,0,0]=4 1340 B13R0.346 CCCCN[C@@H](CNC(=O)N)C(=O)O 455e6cfab5aee61a3015b43379ea0bd3 [0,1,0,0,0,1|2,0,0]=4 1341 B13R0.346 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3f09c51f55973f443d042e950474628e [0,1,0,0,0,1|1,0,1]=4 1433 B13R0.1300 C#CCC[C@H](NCC(=O)CC)C(=O)O e09a554d7c67698dce90d164fca9bfaf [0,1,0,0,0,1|1,0,1]=4 1434 B13R0.1300 C#CCC[C@H](NCC(=O)CO)C(=O)O 08989556fb302897c5c361779094d220 [0,1,0,0,0,1|1,0,1]=4 1435 B13R0.1300 C#CCC[C@H](NCC(=O)NC)C(=O)O 96f5b43b6a202ca6b1f26dd11027afc1 [0,1,0,0,0,1|1,0,1]=4 1436 B13R0.1300 C#CCC[C@H](NCC(=O)OC)C(=O)O 54ca85ebd9e58b7b42c10b3e13f0b164 [0,1,0,0,0,1|1,0,1]=4 1437 B13R0.1300 C=C(C#N)CNC(CCSC)C(=O)O 23aaf0c30f29b51cd6094f414072e9f0 [0,1,0,0,0,1|1,0,1]=4 1438 B13R0.1300 C=C(C#N)CN[C@@H](CCSC)C(=O)O cf8ecf1ff5f4935ddafb5f5018e43271 [0,1,0,0,0,1|1,0,1]=4 1439 B13R0.1300 C=C(C#N)CN[C@H](CCSC)C(=O)O 95509e2b3072dfbd21227e99d7a614e0 [0,1,0,0,0,1|1,0,1]=4 1440 B13R0.1300 C=C(CC)CNC(CCCC)C(=O)O 7a7e0635858aabc991da3dae2a95b137 [0,1,0,0,0,1|2,0,0]=4 1441 B13R0.1300 C=C(CC)CNC(CCSC)C(=O)O e4d99708bbdd8c6f27bfaba6b01259b7 [0,1,0,0,0,1|1,0,0]=3 1442 B13R0.1300 C=C(CC)CN[C@@H](CCCC)C(=O)O 12bbc237308de8529d6c4ab95fa0e9d1 [0,1,0,0,0,1|2,0,0]=4 1443 B13R0.1300 C=C(CC)CN[C@@H](CCOC)C(=O)O 368e23bf0a327eb3a4a205c38e25c57a [0,1,0,0,0,1|1,1,0]=4 1444 B13R0.1300 C=C(CC)CN[C@@H](CCSC)C(=O)N e18548a7d031c259b1c863916fd7c9d5 [0,1,0,0,0,1|2,0,0]=4 1445 B13R0.1300 C=C(CC)CN[C@@H](CCSC)C(=O)O 3ae678494bcb3942fbf700b3b1d864df [0,1,0,0,0,1|1,0,0]=3 1446 B13R0.1300 C=C(CC)CN[C@H](CCCC)C(=O)O 0a17baa14d21b768903b749890a30cbb [0,1,0,0,0,1|2,0,0]=4 1447 B13R0.1300 C=C(CC)CN[C@H](CCSC)C(=O)O d0bc5e97cb71787c18edd7b2dc7c0c4c [0,1,0,0,0,1|1,0,0]=3 1448 B13R0.1300 C=C(CNC(CCCC)C(=O)O)OC 1d6f0dad9823760d2a8480ff9fc95222 [0,1,0,0,0,1|2,0,0]=4 1449 B13R0.1300 C=C(CNC(CCSC)C(=O)O)OC 3d34d0e3d67c9c45c65e84c1a53ad3b2 [0,1,0,0,0,1|1,0,0]=3 1450 B13R0.1300 C=C(CN[C@@H](CCCC)C(=O)O)OC df1ddd24fa89a57f8bf2c7592f4ef165 [0,1,0,0,0,1|2,0,0]=4 1451 B13R0.1300 C=C(CN[C@@H](CCOC)C(=O)O)OC 7b79878cde660dadff3ef856ef15c2d1 [0,1,0,0,0,1|1,1,0]=4 1452 B13R0.1300 C=C(CN[C@@H](CCSC)C(=O)N)OC 66ee7f9b10ebb278fbed78ccf3c436cd [0,1,0,0,0,1|2,0,0]=4 1453 B13R0.1300 C=C(CN[C@@H](CCSC)C(=O)O)OC 85d06b2b6166c2205e42a081bf24ecc9 [0,1,0,0,0,1|1,0,0]=3 1454 B13R0.1300 C=C(CN[C@H](CCCC)C(=O)O)OC ccac153ebe7fcad7a8e4860d8e3a8721 [0,1,0,0,0,1|2,0,0]=4 1455 B13R0.1300 C=C(CN[C@H](CCSC)C(=O)O)OC eecc24aaa790ff81f46a1bf71d8179bb [0,1,0,0,0,1|1,0,0]=3 1456 B13R0.1300 C=C(CO)CNC(CCSC)C(=O)O 8a4891cd6d68102a8bd56fd9adb1a939 [0,1,0,0,0,1|1,0,0]=3 1457 B13R0.1300 C=C(CO)CN[C@@H](CCOC)C(=O)O 17c1341582dbfbfed38c19a1af96f2bc [0,1,0,0,0,1|1,1,0]=4 1458 B13R0.1300 C=C(CO)CN[C@@H](CCSC)C(=O)N 761c1f0cd367e888209121dbf56ab972 [0,1,0,0,0,1|2,0,0]=4 1459 B13R0.1300 C=C(CO)CN[C@@H](CCSC)C(=O)O 01950d95794b93cf7010315f83da447c [0,1,0,0,0,1|1,0,0]=3 1460 B13R0.1300 C=C(CO)CN[C@H](CCSC)C(=O)O d98fd1c57828e926647abcb2d5486261 [0,1,0,0,0,1|1,0,0]=3 1461 B13R0.1300 C=C(COC(CCSC)C(=O)O)OC df3973675dff4bbb53e2b4d46a8050cc [0,1,0,0,0,1|2,0,0]=4 1462 B13R0.1300 C=CCCC(NCC(=O)CC)C(=O)O f3824207a5ff4b0451097e570bd4aa6b [0,1,0,0,0,1|1,0,1]=4 1463 B13R0.1300 C=CCCC(NCC(=O)CO)C(=O)O 5711b1865d1961a77f51793581cc3079 [0,1,0,0,0,1|1,0,1]=4 1464 B13R0.1300 C=CCCC(NCC(=O)NC)C(=O)O 68278d19d528a48295150f95b461be60 [0,1,0,0,0,1|1,0,1]=4 1465 B13R0.1300 C=CCCC(NCC(=O)OC)C(=O)O 49880044838c77b814c63d42d639f156 [0,1,0,0,0,1|1,0,1]=4 1466 B13R0.1300 C=CCC[C@@H](NCC(=O)CC)C(=O)O ecc1a2557c0e2187e9d10ca4a4c0b760 [0,1,0,0,0,1|1,0,1]=4 1467 B13R0.1300 C=CCC[C@@H](NCC(=O)CO)C(=O)O 075c97fee2cc3c388c2a9bcd527738bd [0,1,0,0,0,1|1,0,1]=4 1468 B13R0.1300 C=CCC[C@@H](NCC(=O)NC)C(=O)O e47a1092ba38f0ee482087659b97592e [0,1,0,0,0,1|1,0,1]=4 1469 B13R0.1300 C=CCC[C@@H](NCC(=O)OC)C(=O)O 98a93cebc7fece52423e393d9942034b [0,1,0,0,0,1|1,0,1]=4 1470 B13R0.1300 C=CCC[C@H](NCC(=O)CC)C(=O)O 963b71f36d6e0698f7d184364b84c444 [0,1,0,0,0,1|1,0,1]=4 1471 B13R0.1300 C=CCC[C@H](NCC(=O)CO)C(=O)O e7fa44e0730ff2f25b84c7e9dd7852ad [0,1,0,0,0,1|1,0,1]=4 1472 B13R0.1300 C=CCC[C@H](NCC(=O)NC)C(=O)O 64b3a5b8cddeb563ec1845c8b785ad96 [0,1,0,0,0,1|1,0,1]=4 1473 B13R0.1300 C=CCC[C@H](NCC(=O)OC)C(=O)O 23d0dbe10c8256da303a0e28357380ee [0,1,0,0,0,1|1,0,1]=4 1474 B13R0.1300 CC#CC[C@@H](NCC(=O)CC)C(=O)O e0afe6ca03faa52edd9c4207bca67001 [0,1,0,0,0,1|1,0,1]=4 1475 B13R0.1300 CC#CC[C@@H](NCC(=O)CO)C(=O)O 0f96f364456341f3eb0a7eefca267773 [0,1,0,0,0,1|1,0,1]=4 1476 B13R0.1300 CC#CC[C@@H](NCC(=O)NC)C(=O)O 7dcc7abfd24f6f40fca9523043fe2b7d [0,1,0,0,0,1|1,0,1]=4 1477 B13R0.1300 CC#CC[C@@H](NCC(=O)OC)C(=O)O 64bf547802c876fe1fb9c7a1bb93a3ef [0,1,0,0,0,1|1,0,1]=4 1478 B13R0.1300 CC#CC[C@H](NCC(=O)CC)C(=O)O 0904d70e98662a1e2f633280d712a9a7 [0,1,0,0,0,1|1,0,1]=4 1479 B13R0.1300 CC#CC[C@H](NCC(=O)CO)C(=O)O 8efdf656d7c64eb713280357319bbd8f [0,1,0,0,0,1|1,0,1]=4 1480 B13R0.1300 CC#CC[C@H](NCC(=O)NC)C(=O)O 8596f7bf67711225bbd7058e6cb1fa2a [0,1,0,0,0,1|1,0,1]=4 1481 B13R0.1300 CC#CC[C@H](NCC(=O)OC)C(=O)O b667f208481af9635b5856a3371e8ad3 [0,1,0,0,0,1|1,0,1]=4 1482 B13R0.1300 CCC(=O)CNC(CCSC)C(=O)O f1309a54b11c3e09aa81df6c3f4e7ff8 [0,1,0,0,0,1|0,0,0]=2 1483 B13R0.1300 CCC(=O)CN[C@@H](CCCO)C(=O)O d3f8e1acaf9239e11cfb2b85feebc1fd [0,1,0,0,0,1|2,0,0]=4 1484 B13R0.1300 CCC(=O)CN[C@@H](CCOC)C(=O)O a07ca55cdda60c01dcbb7c698d379c67 [0,1,0,0,0,1|0,1,0]=3 1485 B13R0.1300 CCC(=O)CN[C@@H](CCSC)C(=O)N 411cca534976eabe70c006fa0941be63 [0,1,0,0,0,1|1,0,0]=3 1486 B13R0.1300 CCC(=O)CN[C@@H](CCSC)C(=O)O 5cb7f973525a0147cf4ba2c01262e92b [0,1,0,0,0,1|0,0,0]=2 1487 B13R0.1300 CCC(=O)CN[C@H](CCCO)C(=O)O 6d2c88336bccd9eb6efbe681bdd667fd [0,1,0,0,0,1|2,0,0]=4 1488 B13R0.1300 CCC(=O)CN[C@H](CCSC)C(=O)O 856207b4a96286fb3f4a4d4b09e07986 [0,1,0,0,0,1|0,0,0]=2 1489 B13R0.1300 CCC(=O)COC(CCSC)C(=O)N 8e93c7518dbdb2e0623a67566631231c [0,1,0,0,0,1|2,0,0]=4 1490 B13R0.1300 CCC(=O)COC(CCSC)C(=O)O 0865184baae8cdbc14d3d116fd20f64f [0,1,0,0,0,1|1,0,0]=3 1491 B13R0.1300 CCC(C)CNC(CCSC)C(=O)O d7701a441cb2231e17069a4bf50b1671 [0,1,0,0,0,1|1,0,1]=4 1492 B13R0.1300 CCC(C)CN[C@@H](CCSC)C(=O)O 2ae8eb4abf40e0288a450903192c0273 [0,1,0,0,0,1|1,0,1]=4 1493 B13R0.1300 CCC(C)CN[C@H](CCSC)C(=O)O d23fcf9fef9b71eba140f16cf1a1cf32 [0,1,0,0,0,1|1,0,1]=4 1494 B13R0.1300 CCC(O)CNC(CCSC)C(=O)O 03440b29323e167dae6ac5b7c9f46072 [0,1,0,0,0,1|0,0,2]=4 1495 B13R0.1300 CCC(O)CN[C@@H](CCSC)C(=O)O e4f65920b171004eb3dc7f66aba76c71 [0,1,0,0,0,1|0,0,2]=4 1496 B13R0.1300 CCC(O)CN[C@H](CCSC)C(=O)O 36edade3cb21cfd788af849b5f96d976 [0,1,0,0,0,1|0,0,2]=4 1497 B13R0.1300 CCCCC(NCC(=O)CC)C(=O)N 8fb14fb63264975102c490b9ad6650fa [0,1,0,0,0,1|2,0,0]=4 1498 B13R0.1300 CCCCC(NCC(=O)CC)C(=O)O 5a52af87cdb60dc31fd914c195b8cba4 [0,1,0,0,0,1|1,0,0]=3 1499 B13R0.1300 CCCCC(NCC(=O)CO)C(=O)N 384d137bb5a9754588efc410982fca70 [0,1,0,0,0,1|2,0,0]=4 1500 B13R0.1300 CCCCC(NCC(=O)CO)C(=O)O 3b48953065855e106acee7b0c3e104df [0,1,0,0,0,1|1,0,0]=3 1501 B13R0.1300 CCCCC(NCC(=O)NC)C(=O)N d36badec46610413486884877120e04d [0,1,0,0,0,1|2,0,0]=4 1502 B13R0.1300 CCCCC(NCC(=O)NC)C(=O)O 6f7853e9fbca39c6b58f31e8db68244c [0,1,0,0,0,1|1,0,0]=3 1503 B13R0.1300 CCCCC(NCC(=O)OC)C(=O)N 741a550a4d1b07bbfaf01578dbf07c03 [0,1,0,0,0,1|2,0,0]=4 1504 B13R0.1300 CCCCC(NCC(=O)OC)C(=O)O 06e3b458e7c85807248cdde06cdf1fe3 [0,1,0,0,0,1|1,0,0]=3 1505 B13R0.1300 CCCCC(OCC(=O)CC)C(=O)O ac66b785d7a5303df45bcba9d010be7f [0,1,0,0,0,1|2,0,0]=4 1506 B13R0.1300 CCCCC(OCC(=O)NC)C(=O)O 96e3b01beaa0f7a9c85ee15a0167436a [0,1,0,0,0,1|2,0,0]=4 1507 B13R0.1300 CCCC[C@@H](NCC(=O)CC)C(=O)O 0ca56dc9ce607262f0c517ec62cf35ac [0,1,0,0,0,1|1,0,0]=3 1508 B13R0.1300 CCCC[C@@H](NCC(=O)CO)C(=O)O d2f4470594b4a95bda76b97105c07a59 [0,1,0,0,0,1|1,0,0]=3 1509 B13R0.1300 CCCC[C@@H](NCC(=O)NC)C(=O)O a610a20df79d0fff5c66c1c837cda3b3 [0,1,0,0,0,1|1,0,0]=3 1510 B13R0.1300 CCCC[C@@H](NCC(=O)OC)C(=O)O 117ed06c5e0c390fd40e864edca5e275 [0,1,0,0,0,1|1,0,0]=3 1511 B13R0.1300 CCCC[C@@H](OCC(=O)CC)C(=O)O 972b90b86c65082434706dc386df5bf6 [0,1,0,0,0,1|2,0,0]=4 1512 B13R0.1300 CCCC[C@@H](OCC(=O)NC)C(=O)O bde24415aaa1b0d5fc94cf2e8d0990ab [0,1,0,0,0,1|2,0,0]=4 1513 B13R0.1300 CCCC[C@H](NCC(=O)CC)C(=O)O 9cafb2e60543a919add9907bcc08863a [0,1,0,0,0,1|1,0,0]=3 1514 B13R0.1300 CCCC[C@H](NCC(=O)CO)C(=O)O dba30d30fd3772ea868982c7f96cee18 [0,1,0,0,0,1|1,0,0]=3 1515 B13R0.1300 CCCC[C@H](NCC(=O)NC)C(=O)O 27113ae0a78cc5a958fddfc062122325 [0,1,0,0,0,1|1,0,0]=3 1516 B13R0.1300 CCCC[C@H](NCC(=O)OC)C(=O)O 2826c4f803ede99f9345339abb6e48cd [0,1,0,0,0,1|1,0,0]=3 1517 B13R0.1300 CCCC[C@H](OCC(=O)CC)C(=O)O 4b3a107d9f24b2610490b4c62a2fbb91 [0,1,0,0,0,1|2,0,0]=4 1518 B13R0.1300 CCCC[C@H](OCC(=O)NC)C(=O)O f00cd67c49cd306b17e0d8033ec0d121 [0,1,0,0,0,1|2,0,0]=4 1519 B13R0.1300 CC[C@@H](C)CNC(CCSC)C(=O)O 3e22e51549e8f5ffdc14872de76b5f69 [0,1,0,0,0,1|1,0,1]=4 1520 B13R0.1300 CC[C@@H](C)CN[C@@H](CCSC)C(=O)O 8a6efb3b8bb26c2405a94298431e3451 [0,1,0,0,0,1|1,0,1]=4 1521 B13R0.1300 CC[C@@H](C)CN[C@H](CCSC)C(=O)O d68abe92a0b1166a088fb3481cbcf77b [0,1,0,0,0,1|1,0,1]=4 1522 B13R0.1300 CC[C@H](C)CNC(CCSC)C(=O)O c25e923deaf692aac1a92375dcf0b67c [0,1,0,0,0,1|1,0,1]=4 1523 B13R0.1300 CC[C@H](C)CN[C@@H](CCSC)C(=O)O cf2471527c0c494f894801185e35ad0a [0,1,0,0,0,1|1,0,1]=4 1524 B13R0.1300 CC[C@H](C)CN[C@H](CCSC)C(=O)O c6f703e54e6530d32e3fc4fbbe8152d6 [0,1,0,0,0,1|1,0,1]=4 1525 B13R0.1300 CNC(=O)CCC(NCSC)C(=O)O c7d65f13fd115e8f55f5c9fb50c0df01 [0,1,0,0,0,1|2,0,0]=4 1526 B13R0.1300 CNC(=O)CC[C@H](NCSC)C(=O)O 34aed3cf8d3a9383d3e83a3058709268 [0,1,0,0,0,1|2,0,0]=4 1527 B13R0.1300 CNC(=O)CNC(CCSC)C(=O)O 374e4da1990997cf1cc7baca89eb24d0 [0,1,0,0,0,1|0,0,0]=2 1528 B13R0.1300 CNC(=O)CN[C@@H](CCCO)C(=O)O 561e2aa6ceda8d648f2a106eeb9280d0 [0,1,0,0,0,1|2,0,0]=4 1529 B13R0.1300 CNC(=O)CN[C@@H](CCOC)C(=O)O 6c764ad805508a9e1b207b97e518f6ab [0,1,0,0,0,1|0,1,0]=3 1530 B13R0.1300 CNC(=O)CN[C@@H](CCSC)C(=O)N 375d03995f265ee252bb086208222d3a [0,1,0,0,0,1|1,0,0]=3 1531 B13R0.1300 CNC(=O)CN[C@@H](CCSC)C(=O)O 1d12333e8fb2f0c0cfe881e502d950e2 [0,1,0,0,0,1|0,0,0]=2 1532 B13R0.1300 CNC(=O)CN[C@H](CCCO)C(=O)O 11341464a72e04fd295b393b3dccb675 [0,1,0,0,0,1|2,0,0]=4 1533 B13R0.1300 CNC(=O)CN[C@H](CCSC)C(=O)O e7f483cafebc23e4a213dc4680d1a8cf [0,1,0,0,0,1|0,0,0]=2 1534 B13R0.1300 CNC(=O)COC(CCSC)C(=O)N 9e013d67989009d3a250661d20a6e781 [0,1,0,0,0,1|2,0,0]=4 1535 B13R0.1300 CNC(=O)COC(CCSC)C(=O)O 10b682c8cb4537bf4cc07f641d1e0485 [0,1,0,0,0,1|1,0,0]=3 1536 B13R0.1300 COC(=O)CCC(NCSC)C(=O)O 6fae23d42c6a5b75b279227507ff5429 [0,1,0,0,0,1|2,0,0]=4 1537 B13R0.1300 COC(=O)CC[C@@H](NCSC)C(=O)O c5e01d0f08d26a093db00fba563f49cf [0,1,0,0,0,1|2,0,0]=4 1538 B13R0.1300 COC(=O)CC[C@H](NCSC)C(=O)O 61450ee209034c08237dda8970650021 [0,1,0,0,0,1|2,0,0]=4 1539 B13R0.1300 COC(=O)CNC(CCSC)C(=O)O fd8c0000965779f193594157ab01daba [0,1,0,0,0,1|0,0,0]=2 1540 B13R0.1300 COC(=O)CN[C@@H](CCCO)C(=O)O f4c2d05834e35b8dd728302ddfe02876 [0,1,0,0,0,1|2,0,0]=4 1541 B13R0.1300 COC(=O)CN[C@@H](CCSC)C(=O)N ddfe0dacc34d1c0b064a498acd019277 [0,1,0,0,0,1|1,0,0]=3 1542 B13R0.1300 COC(=O)CN[C@@H](CCSC)C(=O)O 42cf58dcb426c81caecd7e8de079018d [0,1,0,0,0,1|0,0,0]=2 1543 B13R0.1300 COC(=O)CN[C@H](CCCO)C(=O)O 61231af6c3f0c647b250af1abc67c820 [0,1,0,0,0,1|2,0,0]=4 1544 B13R0.1300 COC(=O)CN[C@H](CCSC)C(=O)O 431ab79a5c7be790d23518f29918e648 [0,1,0,0,0,1|0,0,0]=2 1545 B13R0.1300 COC(=O)COC(CCSC)C(=O)N 710f6ccc8a7c454a70df2b0ee1bfa102 [0,1,0,0,0,1|2,0,0]=4 1546 B13R0.1300 COC(=O)COC(CCSC)C(=O)O 709cf3592014eabbadddf75d0141516e [0,1,0,0,0,1|1,0,0]=3 1547 B13R0.1300 COC(C)CNC(CCSC)C(=O)O fc8787af60ace02dbea2be377e3e05ab [0,1,0,0,0,1|0,0,2]=4 1548 B13R0.1300 COC(C)CN[C@@H](CCSC)C(=O)O ca8592ccb22d5438ea53ff4b20defd37 [0,1,0,0,0,1|0,0,2]=4 1549 B13R0.1300 COC(C)CN[C@H](CCSC)C(=O)O a9aae65485d944924f049e90a2472fb8 [0,1,0,0,0,1|0,0,2]=4 1550 B13R0.1300 COCC[C@H](NCC(=O)CO)C(=O)O 6b21aa80b20a1244644e8cab502a927e [0,1,0,0,0,1|0,1,0]=3 1551 B13R0.1300 COCC[C@H](NCC(=O)OC)C(=O)O 6fe893583ba70a8100e2be22afe11d9a [0,1,0,0,0,1|0,1,0]=3 1552 B13R0.1300 CO[C@@H](C)CNC(CCSC)C(=O)O 2723f11637efa3769cc549f434cf69c3 [0,1,0,0,0,1|0,0,2]=4 1553 B13R0.1300 CO[C@@H](C)CN[C@@H](CCSC)C(=O)O d7efe56592d1e5fe33bfbe03483909f6 [0,1,0,0,0,1|0,0,2]=4 1554 B13R0.1300 CO[C@@H](C)CN[C@H](CCSC)C(=O)O 8df34c5a34268881339bc742d23edde2 [0,1,0,0,0,1|0,0,2]=4 1555 B13R0.1300 CO[C@H](C)CNC(CCSC)C(=O)O 0612db8d09a3a09da083e9c25bd0d826 [0,1,0,0,0,1|0,0,2]=4 1556 B13R0.1300 CO[C@H](C)CN[C@@H](CCSC)C(=O)O ce85ba893266427de1bfbf5f08fb8909 [0,1,0,0,0,1|0,0,2]=4 1557 B13R0.1300 CO[C@H](C)CN[C@H](CCSC)C(=O)O b550ae554e3e5f02d7fa478d089e1851 [0,1,0,0,0,1|0,0,2]=4 1558 B13R0.1300 CSCCC(NC/C(=C/Cl)/Cl)C(=O)O e9963bd0d5344104c689ea0fd554c50a [0,1,0,0,0,1|1,0,1]=4 1559 B13R0.1300 CSCCC(NCC(=O)CO)C(=O)O 81b2f00affddc221d63283746de01691 [0,1,0,0,0,1|0,0,0]=2 1560 B13R0.1300 CSCCC(NCC(C)C#N)C(=O)O 4e6ebb9e66c351ec0ab573dcf3d24fb0 [0,1,0,0,0,1|1,0,1]=4 1561 B13R0.1300 CSCCC(NCC(C)CO)C(=O)O 3ebad1d91cc6ede0338ccfc984e7cea0 [0,1,0,0,0,1|0,0,2]=4 1562 B13R0.1300 CSCCC(NCC(O)CF)C(=O)O ca7f6c37ef0ffc41f15338d3f927984f [0,1,0,0,0,1|0,0,2]=4 1563 B13R0.1300 CSCCC(NCC(O)CO)C(=O)O 56fad4d54de5796e26f7631ef266f093 [0,1,0,0,0,1|0,0,2]=4 1564 B13R0.1300 CSCCC(NC[C@@H](C)CO)C(=O)O c82b0830c7e1936710378a64b9442e8d [0,1,0,0,0,1|0,0,2]=4 1565 B13R0.1300 CSCCC(NC[C@@H](O)CO)C(=O)O 6abb987edf2374bb8bed394a24824d72 [0,1,0,0,0,1|0,0,2]=4 1566 B13R0.1300 CSCCC(NC[C@H](C)CO)C(=O)O 216a7b64f579716702c9ce16986b7ae7 [0,1,0,0,0,1|0,0,2]=4 1567 B13R0.1300 CSCCC(NC[C@H](O)CO)C(=O)O f6dc3811169e6cbc7473c42928573bf9 [0,1,0,0,0,1|0,0,2]=4 1568 B13R0.1300 CSCC[C@@H](NC/C(=C/Cl)/Cl)C(=O)O 3b92d28cc5f72773db21b520ad4d45a2 [0,1,0,0,0,1|1,0,1]=4 1569 B13R0.1300 CSCC[C@@H](NCC(=O)CO)C(=O)O 9218f777b4a0a4048e57844cb3410b09 [0,1,0,0,0,1|0,0,0]=2 1570 B13R0.1300 CSCC[C@@H](NCC(C)C#N)C(=O)O 967992d65fb91643859e20cb6088d82a [0,1,0,0,0,1|1,0,1]=4 1571 B13R0.1300 CSCC[C@@H](NCC(C)CO)C(=O)O 5cd8e5d6043eb0f021f43af910500920 [0,1,0,0,0,1|0,0,2]=4 1572 B13R0.1300 CSCC[C@@H](NCC(O)CF)C(=O)O 615180c47e992b2ce8d19ed631f8613e [0,1,0,0,0,1|0,0,2]=4 1573 B13R0.1300 CSCC[C@@H](NCC(O)CO)C(=O)O 960f9ff1b01889d8b81a0d6353fa39e8 [0,1,0,0,0,1|0,0,2]=4 1574 B13R0.1300 CSCC[C@@H](NC[C@@H](C)CO)C(=O)O bfa8adee2f89e978d0d49b68dff91990 [0,1,0,0,0,1|0,0,2]=4 1575 B13R0.1300 CSCC[C@@H](NC[C@@H](O)CO)C(=O)O 5ee069ac82ca71b4d70792e125576835 [0,1,0,0,0,1|0,0,2]=4 1576 B13R0.1300 CSCC[C@@H](NC[C@H](C)CO)C(=O)O a4bef9e88c6b808c4c20f77437eebfe0 [0,1,0,0,0,1|0,0,2]=4 1577 B13R0.1300 CSCC[C@@H](NC[C@H](O)CO)C(=O)O 157ef421ff49cc618020716d4270d7ce [0,1,0,0,0,1|0,0,2]=4 1578 B13R0.1300 CSCC[C@H](NC/C(=C/Cl)/Cl)C(=O)O 4507f260f68622669fbb91f0b552bb2c [0,1,0,0,0,1|1,0,1]=4 1579 B13R0.1300 CSCC[C@H](NCC(=O)CO)C(=O)N 6f9980499b23e962058d8f1380fad6ef [0,1,0,0,0,1|1,0,0]=3 1580 B13R0.1300 CSCC[C@H](NCC(=O)CO)C(=O)O b673fac29dd2c1a128671a86133ccc24 [0,1,0,0,0,1|0,0,0]=2 1581 B13R0.1300 CSCC[C@H](NCC(C)C#N)C(=O)O 8f08aaadbfa8fb43831bb1edc9a03055 [0,1,0,0,0,1|1,0,1]=4 1582 B13R0.1300 CSCC[C@H](NCC(C)CO)C(=O)O 28b90cd54bd7bf8039c3cd5dd9ca0959 [0,1,0,0,0,1|0,0,2]=4 1583 B13R0.1300 CSCC[C@H](NCC(O)CF)C(=O)O b9a92a982f1bf686472791fa08ecf9ec [0,1,0,0,0,1|0,0,2]=4 1584 B13R0.1300 CSCC[C@H](NCC(O)CO)C(=O)O c24a457e533cd821d7494f6e416a6a2f [0,1,0,0,0,1|0,0,2]=4 1585 B13R0.1300 CSCC[C@H](NC[C@@H](C)CO)C(=O)O ec97ee5a0c1f6c85afddbd007ef6ccde [0,1,0,0,0,1|0,0,2]=4 1586 B13R0.1300 CSCC[C@H](NC[C@@H](O)CO)C(=O)O b9146dff6f0e80a01c5600217dc73685 [0,1,0,0,0,1|0,0,2]=4 1587 B13R0.1300 CSCC[C@H](NC[C@H](C)CO)C(=O)O 70f972e7e87ec3cb153d01c5bc8b6b5c [0,1,0,0,0,1|0,0,2]=4 1588 B13R0.1300 CSCC[C@H](NC[C@H](O)CO)C(=O)O aacd02e9b9c1ae98440177ecf8c75ade [0,1,0,0,0,1|0,0,2]=4 1589 B13R0.1300 O=C(CO)CN[C@@H](CCCO)C(=O)O e27dcb701e3322ad13f27a2322df2ef5 [0,1,0,0,0,1|2,0,0]=4 1590 B13R0.1300 O=C(CO)CN[C@H](CCCO)C(=O)O 9569be18f2d426082729720081134cb4 [0,1,0,0,0,1|2,0,0]=4 1591 B13R0.1310 C=C(Br)CN(C)[C@@H](CCSC)C(=O)O 12818a5dc047c92269d74272b961b680 [0,1,0,0,0,1|1,0,1]=4 1592 B13R0.1310 C=C(Br)CN(C)[C@H](CCSC)C(=O)O 7718badb6f52867852466531ac6b604a [0,1,0,0,0,1|1,0,1]=4 1593 B13R0.1310 C=C(C)CN(C)C(CCCC)C(=O)O a9eda352118ffb21221242cbac7b7985 [0,1,0,0,0,1|2,0,0]=4 1594 B13R0.1310 C=C(C)CN(C)C(CCSC)C(=O)N 03abdc760c1335d815d13cc535a218df [0,1,0,0,0,1|2,0,0]=4 1595 B13R0.1310 C=C(C)CN(C)[C@@H](CCCC)C(=O)O a4a43541874c6dcfd4c1375646adc37e [0,1,0,0,0,1|2,0,0]=4 1596 B13R0.1310 C=C(C)CN(C)[C@@H](CCOC)C(=O)O 64558dad2b03a3d7f76fd339af78e94f [0,1,0,0,0,1|1,1,0]=4 1597 B13R0.1310 C=C(C)CN(C)[C@@H](CCSC)C(=O)O c45a92f5354996f8d5846a93c126d1ea [0,1,0,0,0,1|1,0,0]=3 1598 B13R0.1310 C=C(C)CN(C)[C@H](CCSC)C(=O)O a34c257a559a8081ee1e0790b5fb5186 [0,1,0,0,0,1|1,0,0]=3 1599 B13R0.1310 C=C(F)CN(C)[C@@H](CCSC)C(=O)O cc5d9559f1e988cabadb364fe1f3f9c1 [0,1,0,0,0,1|1,0,1]=4 1600 B13R0.1310 C=C(F)CN(C)[C@H](CCSC)C(=O)O 41256a71b73ef132ec9576087f8c18d3 [0,1,0,0,0,1|1,0,1]=4 1601 B13R0.1310 CCCCC(C(=O)O)N(C)CC(=O)N 9aa3e8b21aa92776f160f5c3ec17362e [0,1,0,0,0,1|2,0,0]=4 1602 B13R0.1310 CCCCC(C(=O)O)N(C)CC(=O)O 946570677b1b34d3f73691e6fff669b9 [0,1,0,0,0,1|2,0,0]=4 1603 B13R0.1310 CCCC[C@@H](C(=O)O)N(C)CC(=O)N 260c3819e29ee278b02141f6de0a0944 [0,1,0,0,0,1|2,0,0]=4 1604 B13R0.1310 CCCC[C@@H](C(=O)O)N(C)CC(=O)O 55d418bf67738591e31fde609fed4e81 [0,1,0,0,0,1|2,0,0]=4 1605 B13R0.1310 COCC[C@@H](C(=O)O)N(C)CC(=O)N f99cf6ee9ec42d671d62c093dfdca39d [0,1,0,0,0,1|1,1,0]=4 1606 B13R0.1310 COCC[C@@H](C(=O)O)N(C)CC(=O)O d6e52a03526cb19864f369cb3aded832 [0,1,0,0,0,1|1,1,0]=4 1607 B13R0.1310 CSCCC(C(=O)N)N(C)CC(=O)N 7e24331e5fd93288cdcb4f472fc820b0 [0,1,0,0,0,1|2,0,0]=4 1608 B13R0.1310 CSCCC(C(=O)N)N(C)CC(=O)O 5d6724a69497aec68bfd58811aba486d [0,1,0,0,0,1|2,0,0]=4 1609 B13R0.1310 CSCC[C@@H](C(=O)O)N(C)CC(=O)N 8063051e64a769c6bf524f2f00722934 [0,1,0,0,0,1|1,0,0]=3 1610 B13R0.1310 CSCC[C@@H](C(=O)O)N(C)CC(=O)O ae7fa53b7a6c08ff9470c9cfcee4d37c [0,1,0,0,0,1|1,0,0]=3 1611 B13R0.1310 CSCC[C@@H](C(=O)O)N(C)CC(C)C 270a57f3de4bf7b2fb0bf32ae10a4516 [0,1,0,0,0,1|1,0,1]=4 1612 B13R0.1310 CSCC[C@@H](C(=O)O)N(C)CC(C)O 5cac4692039bdb0fa423c53cf434a88f [0,1,0,0,0,1|0,0,2]=4 1613 B13R0.1310 CSCC[C@@H](C(=O)O)N(C)CN(C)C 15e7657eef0a3e06258ec60eba09ab59 [0,1,0,0,0,1|2,0,0]=4 1614 B13R0.1310 CSCC[C@@H](C(=O)O)N(C)C[C@@H](C)O 303c930fd99237d62a9b137bf74e311b [0,1,0,0,0,1|0,0,2]=4 1615 B13R0.1310 CSCC[C@@H](C(=O)O)N(C)C[C@H](C)O e58bdb7cdfeede566a2c8d937d465cf4 [0,1,0,0,0,1|0,0,2]=4 1616 B13R0.1310 CSCC[C@@H](C(=O)O)N(C)C[N+](=O)[O-] 1e9ac7b73cf283243306cf0570233014 [0,1,0,0,0,1|2,0,0]=4 1617 B13R0.1310 CSCC[C@H](C(=O)O)N(C)CC(=O)N bc01d82904d4977c989429d34f22965c [0,1,0,0,0,1|1,0,0]=3 1618 B13R0.1310 CSCC[C@H](C(=O)O)N(C)CC(=O)O added7716c33c0a1ab1a35f095b31003 [0,1,0,0,0,1|1,0,0]=3 1619 B13R0.1310 CSCC[C@H](C(=O)O)N(C)CC(C)C be828a7f8dd26690bfb73a440889660e [0,1,0,0,0,1|1,0,1]=4 1620 B13R0.1310 CSCC[C@H](C(=O)O)N(C)CC(C)O c3f507bbb9e9ce1b435a2410215e26cb [0,1,0,0,0,1|0,0,2]=4 1621 B13R0.1310 CSCC[C@H](C(=O)O)N(C)CN(C)C 9c1d07cf81e010cdd32ad2b21eb15fe1 [0,1,0,0,0,1|2,0,0]=4 1622 B13R0.1310 CSCC[C@H](C(=O)O)N(C)C[C@@H](C)O b729b625f86195706e1e55dbade9ccd7 [0,1,0,0,0,1|0,0,2]=4 1623 B13R0.1310 CSCC[C@H](C(=O)O)N(C)C[C@H](C)O 35bb72bc74fa5b1ad179260043149049 [0,1,0,0,0,1|0,0,2]=4 1624 B13R0.1310 CSCC[C@H](C(=O)O)N(C)C[N+](=O)[O-] 546413655fd699c1940b0df7abf30b19 [0,1,0,0,0,1|2,0,0]=4 1625 B13R0.1310 CSCN[C@H](C(=O)O)[C@@H](C)OC(=O)C 41ef1b9e5e47ba649cb8b213a70b58a3 [0,1,0,0,0,1|2,0,0]=4 1626 B13R0.1677 C=C(Br)CN[C@@](C)(CCSC)C(=O)O e0694281812d8bc6811a43032652ab92 [0,1,0,0,0,1|1,0,1]=4 1627 B13R0.1677 C=C(C)CN[C@@](C)(CCSC)C(=O)O b16181cbce28fc5d06357c9b8e632052 [0,1,0,0,0,1|1,0,0]=3 1628 B13R0.1677 C=C(Cl)CN[C@@](C)(CCSC)C(=O)O 12f056e4d4c7cdbd897530af55faf495 [0,1,0,0,0,1|1,0,1]=4 1629 B13R0.1677 C=C(F)CN[C@@](C)(CCSC)C(=O)O 3b215972fc353f7dde70dcaee41abbe0 [0,1,0,0,0,1|1,0,1]=4 1630 B13R0.1677 CSCC[C@](C)(NCC(=O)N)C(=O)O 31feddf463700a52b28b607d17138bd0 [0,1,0,0,0,1|1,0,0]=3 1631 B13R0.1677 CSCC[C@](C)(NCC(=O)O)C(=O)O abaf38b3db10ff209640a34d889b97e5 [0,1,0,0,0,1|1,0,0]=3 1632 B13R0.1677 CSCC[C@](C)(NCC(C)C)C(=O)O f406f635c7c1352bd010d613bcb42027 [0,1,0,0,0,1|1,0,1]=4 1633 B13R0.1677 CSCC[C@](C)(NCC(C)O)C(=O)O 79597ba48fae162abd3a959ddeb7c816 [0,1,0,0,0,1|0,0,2]=4 1634 B13R0.1677 CSCC[C@](C)(NCN(C)C)C(=O)O 9d08cc5dd86662cf47e788ca1eb6c964 [0,1,0,0,0,1|2,0,0]=4 1635 B13R0.1677 CSCC[C@](C)(NC[C@@H](C)O)C(=O)O 2f1e0ed06396c746603f6daab894f81d [0,1,0,0,0,1|0,0,2]=4 1636 B13R0.1677 CSCC[C@](C)(NC[C@H](C)O)C(=O)O 26ca3a2bac71212cbd416341ca4cefd2 [0,1,0,0,0,1|0,0,2]=4 1637 B13R0.1677 CSCC[C@](C)(NC[N+](=O)[O-])C(=O)O 5b1bd4c9a930eb92b8f926d91a7116b5 [0,1,0,0,0,1|2,0,0]=4 1638 B13R0.141 CSCCNC(CC(=O)O)CC(=O)O e3296f0250aa41c1c86876f8bcc4bdb5 [0,1,0,0,0,1|2,0,0]=4 1639 B13R0.141 CSCCOC(CC(=O)O)CC(=O)O 508703f620f3b6ba0f55e6ebc05991e3 [0,1,0,0,0,1|2,0,0]=4 1640 B13R0.158 C=CC(C)NC(CCSC)CC(=O)O 8d16a37958b6d0dce02f34d93b16e541 [0,1,0,0,0,1|1,0,1]=4 1641 B13R0.158 C=CC(C)N[C@@H](CCSC)CC(=O)O 0613cb4f84e59d099f9cf12ba14135c2 [0,1,0,0,0,1|1,0,1]=4 1642 B13R0.158 C=CC(C)N[C@H](CCSC)CC(=O)O 8ebe6627a25d361fcd699d3ef11f6018 [0,1,0,0,0,1|1,0,1]=4 1643 B13R0.158 CCC(C)NC(CCSC)CC(=O)O ad7e21aef7b604f150c42761dd516866 [0,1,0,0,0,1|1,0,1]=4 1644 B13R0.158 CCC(C)N[C@@H](CCSC)CC(=O)O 2f39d5d549c4993b192037bc13766900 [0,1,0,0,0,1|1,0,1]=4 1645 B13R0.158 CCC(C)N[C@H](CCSC)CC(=O)O 69fb5c21d02a09b8ff3a4aa7413ac6e7 [0,1,0,0,0,1|1,0,1]=4 1646 B13R0.158 CCCCC(CC(=O)O)NC(C)C=O e5db188e09c2a5c802648b09bc15b745 [0,1,0,0,0,1|1,0,1]=4 1647 B13R0.158 CCCCC(CC(=O)O)N[C@H](C)C=O 3f6b209aabc21f0a145a304435af9f2b [0,1,0,0,0,1|1,0,1]=4 1648 B13R0.158 COC(=O)CN(CCSC)CC(=O)O 7501c4621e983ad8fd1e55ddb87ab830 [0,1,0,0,0,1|2,0,0]=4 1649 B13R0.158 CSCCC(CC(=O)O)NC(C)C=O 3cc0c9f9921b9b49b198237bd6aa4899 [0,1,0,0,0,1|0,0,1]=3 1650 B13R0.158 CSCCC(CC(=O)O)NC(C)CO 73a6a51030bcc90108b322e110ecd953 [0,1,0,0,0,1|0,0,2]=4 1651 B13R0.158 CSCCC(CC(=O)O)N[C@@H](C)CO 7d8d26ea0bd0b9ffa4949ae22c0881f0 [0,1,0,0,0,1|0,0,2]=4 1652 B13R0.158 CSCCC(CC(=O)O)N[C@H](C)C=O 95e2b5e0cced131a1f98857e1da4ac66 [0,1,0,0,0,1|0,0,1]=3 1653 B13R0.158 CSCCC(CC(=O)O)N[C@H](C)CO 2d07517b7eb036127b56547a36dd0670 [0,1,0,0,0,1|0,0,2]=4 1654 B13R0.158 CSCC[C@@H](CC(=O)O)NC(C)C=O c97c9f1393f3bcef747b438a11fdfa59 [0,1,0,0,0,1|0,0,1]=3 1655 B13R0.158 CSCC[C@@H](CC(=O)O)NC(C)CO fba6e19cd83aedf931d9735aefb1fb31 [0,1,0,0,0,1|0,0,2]=4 1656 B13R0.158 CSCC[C@@H](CC(=O)O)N[C@@H](C)CO c876018a366b67e1047bbc16b1954230 [0,1,0,0,0,1|0,0,2]=4 1657 B13R0.158 CSCC[C@@H](CC(=O)O)N[C@H](C)C=O 3a1c2059e548548ef32690fc797c0730 [0,1,0,0,0,1|0,0,1]=3 1658 B13R0.158 CSCC[C@@H](CC(=O)O)N[C@H](C)CO b2c899ff1e1295f45e2d742062b63259 [0,1,0,0,0,1|0,0,2]=4 1659 B13R0.158 CSCC[C@H](CC(=O)O)NC(C)C=O 5fde43be9646a0fe157d0049d06cdc91 [0,1,0,0,0,1|0,0,1]=3 1660 B13R0.158 CSCC[C@H](CC(=O)O)NC(C)CO a15f581dfe1180cc4000f6538c2d3166 [0,1,0,0,0,1|0,0,2]=4 1661 B13R0.158 CSCC[C@H](CC(=O)O)N[C@@H](C)CO bd1b58e2ec41c5de2816265e8045231b [0,1,0,0,0,1|0,0,2]=4 1662 B13R0.158 CSCC[C@H](CC(=O)O)N[C@H](C)C=O 8089fe2892304de6f95b8dfc4ac3f907 [0,1,0,0,0,1|0,0,1]=3 1663 B13R0.158 CSCC[C@H](CC(=O)O)N[C@H](C)CO ccaae3e7b2c11b73107cefd511eb5194 [0,1,0,0,0,1|0,0,2]=4 1664 B13R0.80 CC(=O)NC(C(=O)O)C(C)OC(C)C 31d61ef0ac480dfea9961e7708131512 [0,2,0,0,0,0|2,0,0]=4 1665 B13R0.80 CC(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)C 417041f3ba7bcb141593931967a1f401 [0,2,0,0,0,0|2,0,0]=4 1666 B13R0.86 CCC[C@@H](O)[C@H](NC(=O)C)C(=O)OC 5b90527640bff0cd0222b14e8554ef5e [0,2,0,0,0,0|1,0,0]=3 1667 B13R0.86 CCC[C@H](O)[C@@H](NC(=O)C)C(=O)OC 031e3828af0df6e124cb9049ccf2757f [0,2,0,0,0,0|1,0,0]=3 1668 B13R0.86 CCOC(C)C(NC(=O)C)C(=O)OC 37adadda1883353599a3a6890a42ba24 [0,2,0,0,0,0|2,0,0]=4 1669 B13R0.86 CCO[C@H](C)[C@H](NC(=O)C)C(=O)OC 6d46941f0e153f9a5c38d3bf98f55552 [0,2,0,0,0,0|2,0,0]=4 1670 B13R0.125 C#CCOC(C)C(NC(=O)C)C(=O)O cdcc140aaaadaada7733ca7805a6b6fe [0,2,0,0,0,0|1,0,1]=4 1671 B13R0.125 C#CCO[C@H](C)[C@H](NC(=O)C)C(=O)O 69e44f27be12f839a0bee4c8bd9bf952 [0,2,0,0,0,0|1,0,1]=4 1672 B13R0.125 C=CCOC(C)C(NC(=O)C)C(=O)O 5f5f088767030d23c01e15dbb923c652 [0,2,0,0,0,0|1,0,1]=4 1673 B13R0.125 C=CCO[C@H](C)[C@H](NC(=O)C)C(=O)O adcd364142c699ec0148ac5cdd2cd8a1 [0,2,0,0,0,0|1,0,1]=4 1674 B13R0.125 CC(=O)NC(C(=O)O)C(C)OCC#N 92ea23d581c9c7b390c215474219e262 [0,2,0,0,0,0|2,0,0]=4 1675 B13R0.125 CC(=O)NC(C(=O)O)C(C)OCC=O 5141016e2adb6fd31d5cc4fcedf52aee [0,2,0,0,0,0|2,0,0]=4 1676 B13R0.125 CC(=O)NC(C(=O)O)C(C)OCCF f93d7d8b5aa639177def707255d7914a [0,2,0,0,0,0|2,0,0]=4 1677 B13R0.125 CC(=O)NC(C(=O)O)C(C)OCCS 3abbfd1e299320fbdda9a6577023aa4e [0,2,0,0,0,0|2,0,0]=4 1678 B13R0.125 CC(=O)N[C@H](C(=O)O)[C@@H](C)OCC#N b8ced53d3f7b2444d6622201f897b33a [0,2,0,0,0,0|2,0,0]=4 1679 B13R0.125 CC(=O)N[C@H](C(=O)O)[C@@H](C)OCC=O af0a3d4b3b3f7e9a463fe3587e6bb32b [0,2,0,0,0,0|2,0,0]=4 1680 B13R0.125 CC(=O)N[C@H](C(=O)O)[C@@H](C)OCCF e8ef48e83231e6114c4d8b267e8b7a16 [0,2,0,0,0,0|2,0,0]=4 1681 B13R0.125 CC(=O)N[C@H](C(=O)O)[C@@H](C)OCCS e8509c704a01c0354c76bf7c8e78e201 [0,2,0,0,0,0|2,0,0]=4 1682 B13R0.125 CCCOC(C)C(NC(=O)C)C(=O)O 07ff12d28d7d7a60bde1137047ab375e [0,2,0,0,0,0|1,0,0]=3 1683 B13R0.125 CCCO[C@H](C)[C@H](NC(=O)C)C(=O)O 193ef87ac403c7168abf39534bbab885 [0,2,0,0,0,0|1,0,0]=3 1684 B13R0.125 CSCCN(C)C(CC(=O)O)C(=O)O ad60614404721f8ac106bd8d28448a07 [0,2,0,0,0,0|2,0,0]=4 1685 B13R0.125 CSCCN(C)[C@@H](CC(=O)O)C(=O)O 28369ac69c0bc77c984630ffb3da37de [0,2,0,0,0,0|2,0,0]=4 1686 B13R0.125 CSCCN(C)[C@H](CC(=O)N)C(=O)O ab8486763b24d31c01eb5f1e6b62c4b2 [0,2,0,0,0,0|2,0,0]=4 1687 B13R0.125 CSCCN(C)[C@H](CC(=O)O)C(=O)O cb65c2669057c2eb69c942aaf1b18a51 [0,2,0,0,0,0|2,0,0]=4 1688 B13R0.125 CSCOC(C)C(NC(=O)C)C(=O)O 2f72f0821a18cd522a00458e1bb59bf9 [0,2,0,0,0,0|0,0,0]=2 1689 B13R0.125 CSCO[C@H](C)[C@H](NC(=O)C)C(=O)O 7da9a49a1616923b16b765736a22229f [0,2,0,0,0,0|0,0,0]=2 1690 B13R0.730 CCCC(C)C(NC(C)C=O)C(=O)O 64135e2e57140103b269bc60f6c864c8 [0,2,0,0,0,0|1,0,1]=4 1691 B13R0.730 CCCC(C)C(N[C@H](C)C=O)C(=O)O 99f6ce97ef0db64866c878cc499a155d [0,2,0,0,0,0|1,0,1]=4 1692 B13R0.22 C#CCN(C)CC(NC(=O)C)C(=O)O b1e80f25a0128729691c9598188decb8 [0,2,0,0,0,0|1,0,1]=4 1693 B13R0.22 C#CCN(C)C[C@@H](NC(=O)C)C(=O)O 83d7d647d158a17856dd68bb9195cd57 [0,2,0,0,0,0|1,0,1]=4 1694 B13R0.22 C#CCN(C)C[C@H](NC(=O)C)C(=O)O 128bd18e4bf3120fb895224b1a846bd4 [0,2,0,0,0,0|1,0,1]=4 1695 B13R0.22 C=CCN(C)CC(NC(=O)C)C(=O)O bbb596b3688753901caa65af6ba15dc9 [0,2,0,0,0,0|1,0,1]=4 1696 B13R0.22 C=CCN(C)C[C@@H](NC(=O)C)C(=O)O 6db783c8cf8647cebcdd02e244e4c0b3 [0,2,0,0,0,0|1,0,1]=4 1697 B13R0.22 C=CCN(C)C[C@H](NC(=O)C)C(=O)O ad843d3a26d8206f4f9131b4baf6fe2b [0,2,0,0,0,0|1,0,1]=4 1698 B13R0.22 CC(=O)NC(CN(C)CC#N)C(=O)O 2b33f700d4a6b992512a1071225566af [0,2,0,0,0,0|2,0,0]=4 1699 B13R0.22 CC(=O)NC(CN(C)CC=O)C(=O)O a72689152155432b43e975e04ae9a324 [0,2,0,0,0,0|2,0,0]=4 1700 B13R0.22 CC(=O)NC(CN(C)CCF)C(=O)O 7ebbf4cdb184f453006ff75e02b23af9 [0,2,0,0,0,0|2,0,0]=4 1701 B13R0.22 CC(=O)NC(CN(C)CCO)C(=O)O e961af31d9fcd94ab56fe24a30537741 [0,2,0,0,0,0|2,0,0]=4 1702 B13R0.22 CC(=O)NC(CN(C)CCS)C(=O)O 4bee50bc3db87e3d86634d7ba2ba4ad3 [0,2,0,0,0,0|2,0,0]=4 1703 B13R0.22 CC(=O)N[C@@H](CN(C)CC#N)C(=O)O be274702b8983974abcf685b58c63a61 [0,2,0,0,0,0|2,0,0]=4 1704 B13R0.22 CC(=O)N[C@@H](CN(C)CCF)C(=O)O 5f8786e53dab3e91f238d665a0abe535 [0,2,0,0,0,0|2,0,0]=4 1705 B13R0.22 CC(=O)N[C@@H](CN(C)CCO)C(=O)O 671e43e1633223f99cd0614e8fb43d30 [0,2,0,0,0,0|2,0,0]=4 1706 B13R0.22 CC(=O)N[C@H](CN(C)CC#N)C(=O)O cd70149315bdbbeabe0912aa3e29b373 [0,2,0,0,0,0|2,0,0]=4 1707 B13R0.22 CC(=O)N[C@H](CN(C)CCF)C(=O)O 1e88f3220e061377b2cef73ef8bb8366 [0,2,0,0,0,0|2,0,0]=4 1708 B13R0.22 CC(=O)N[C@H](CN(C)CCO)C(=O)O 809ac2cd323ccc4800a8c74a7b53915d [0,2,0,0,0,0|2,0,0]=4 1709 B13R0.22 CCCN(C)CC(NC(=O)C)C(=O)O f4d55177f9bdab97e4f487bb42167591 [0,2,0,0,0,0|1,0,0]=3 1710 B13R0.22 CCCN(C)C[C@@H](NC(=O)C)C(=O)O f1b3454b0e985410333c53e992de6712 [0,2,0,0,0,0|1,0,0]=3 1711 B13R0.22 CCCN(C)C[C@H](NC(=O)C)C(=O)O 99d70f43676dc43c3fd2a11332146f3d [0,2,0,0,0,0|1,0,0]=3 1712 B13R0.22 COCN(C)CC(NC(=O)C)C(=O)O ae70fc8e8fdfd9f6cfaf721bc4b4685d [0,2,0,0,0,0|0,1,0]=3 1713 B13R0.22 CSCC(C)OC(CC(=O)O)C(=O)O 3e153abf7e5d640c4cdca8b15e41fd98 [0,2,0,0,0,0|2,0,0]=4 1714 B13R0.22 CSCN(C)CC(NC(=O)C)C(=O)O 80b347463a59c5725b2984951ad61146 [0,2,0,0,0,0|0,0,0]=2 1715 B13R0.146 C#CCNCC(NC(=O)C)C(=O)OC 0fb942894a7e1c13e985ea9664ba272d [0,2,0,0,0,0|1,0,1]=4 1716 B13R0.146 C#CCNC[C@H](NC(=O)C)C(=O)OC 22a2a8d3a1a699280752107eb2eabaa8 [0,2,0,0,0,0|1,0,1]=4 1717 B13R0.146 C#CCOCC(NC(=O)C)C(=O)OC bf589d37ae0557d27115dd783b1a2ada [0,2,0,0,0,0|1,0,1]=4 1718 B13R0.146 C#CCOC[C@H](NC(=O)C)C(=O)OC d2f32285ab07fdf4e997aaf292fb50f8 [0,2,0,0,0,0|1,0,1]=4 1719 B13R0.146 C=CCOCC(NC(=O)C)C(=O)OC b888aced7280389f13c34279faa1a337 [0,2,0,0,0,0|1,0,1]=4 1720 B13R0.146 C=CCOC[C@H](NC(=O)C)C(=O)OC 8c86b0fcf7b4a694046fc44af44b1923 [0,2,0,0,0,0|1,0,1]=4 1721 B13R0.146 CCCCCC(NC(=O)C)C(=O)NC 9370e8e3f540492d0c405ac24713c805 [0,2,0,0,0,0|2,0,0]=4 1722 B13R0.146 CCCNCC(NC(=O)C)C(=O)OC 9eae611bfea1b7f422c5e05c1be84fcb [0,2,0,0,0,0|1,0,0]=3 1723 B13R0.146 CCCNC[C@H](NC(=O)C)C(=O)OC 5e97c6a554a21c7cc550331214b38735 [0,2,0,0,0,0|1,0,0]=3 1724 B13R0.146 CCCOCC(NC(=O)C)C(=O)OC bd4324da8e9876c8925b30bb495f03a1 [0,2,0,0,0,0|1,0,0]=3 1725 B13R0.146 CCCOC[C@H](NC(=O)C)C(=O)OC aac4bb8ab234e4332a1307c51eab8da6 [0,2,0,0,0,0|1,0,0]=3 1726 B13R0.146 CCCSC[C@H](NC(=O)C)C(=O)OC d798b36bce47c4ff6bc44b91d4ae9f32 [0,2,0,0,0,0|1,0,0]=3 1727 B13R0.146 COC(=O)C(CC(=O)O)NCCSC 4e7ee084c3c68c7b12f0c3efa59944ba [0,2,0,0,0,0|2,0,0]=4 1728 B13R0.146 COC(=O)C(CNCC#N)NC(=O)C 6c76545883d67e51a6c7caf8b337f8b0 [0,2,0,0,0,0|2,0,0]=4 1729 B13R0.146 COC(=O)C(CNCCBr)NC(=O)C 80e068f18bd501f512f195a23a632f4a [0,2,0,0,0,0|2,0,0]=4 1730 B13R0.146 COC(=O)C(CNCCF)NC(=O)C 7b5392a395880d8d11813d619aa4e1a3 [0,2,0,0,0,0|2,0,0]=4 1731 B13R0.146 COC(=O)C(CNCCI)NC(=O)C 8360df1fd12c558452e39e6d264f578e [0,2,0,0,0,0|2,0,0]=4 1732 B13R0.146 COC(=O)C(CNCCO)NC(=O)C e35e9c48766d44668abc93ed8aae5aaf [0,2,0,0,0,0|2,0,0]=4 1733 B13R0.146 COC(=O)C(CNCCS)NC(=O)C 08a7fe370f12b61cc7fb84b662b7dd77 [0,2,0,0,0,0|2,0,0]=4 1734 B13R0.146 COC(=O)C(COCC#N)NC(=O)C 5b4608a39b5eeddc73ccefb92d781e00 [0,2,0,0,0,0|2,0,0]=4 1735 B13R0.146 COC(=O)C(COCC=O)NC(=O)C 59e9fc04aa3c79fb5792e0d75d93bf7b [0,2,0,0,0,0|2,0,0]=4 1736 B13R0.146 COC(=O)C(COCCF)NC(=O)C 745eebad671b558e3d30e0433034056f [0,2,0,0,0,0|2,0,0]=4 1737 B13R0.146 COC(=O)C(COCCS)NC(=O)C 5db80611357046aa66d518748f9f2fe2 [0,2,0,0,0,0|2,0,0]=4 1738 B13R0.146 COC(=O)C(COCSC)NC(=O)C 4bf3db14f4863b413356dff2a4fec5fd [0,2,0,0,0,0|0,0,0]=2 1739 B13R0.146 COC(=O)[C@@H](CC(=O)O)NCCSC 49857440c6c6a4c5e7303c4b4f4b6e38 [0,2,0,0,0,0|2,0,0]=4 1740 B13R0.146 COC(=O)[C@H](CC(=O)O)NCCSC 1aa7fda17de3b5e138ebaed25f6eb47d [0,2,0,0,0,0|2,0,0]=4 1741 B13R0.146 COC(=O)[C@H](CNCC#N)NC(=O)C 0c24b0c1473a6e1bc23dba19316bc97a [0,2,0,0,0,0|2,0,0]=4 1742 B13R0.146 COC(=O)[C@H](CNCCBr)NC(=O)C 6a2113bc041ff604f9a1cfed6d3359d9 [0,2,0,0,0,0|2,0,0]=4 1743 B13R0.146 COC(=O)[C@H](CNCCF)NC(=O)C a9b3a6acaf865d69879023da4c4bd599 [0,2,0,0,0,0|2,0,0]=4 1744 B13R0.146 COC(=O)[C@H](CNCCI)NC(=O)C a2c27e13891a524a0c498339e74cc683 [0,2,0,0,0,0|2,0,0]=4 1745 B13R0.146 COC(=O)[C@H](CNCCO)NC(=O)C 93eb4205d3ff578d7f7819e467bd17f1 [0,2,0,0,0,0|2,0,0]=4 1746 B13R0.146 COC(=O)[C@H](CNCCS)NC(=O)C d1ec531c8ddd0c1fa7fc489c889ff903 [0,2,0,0,0,0|2,0,0]=4 1747 B13R0.146 COC(=O)[C@H](COCC#N)NC(=O)C 7092049270319f4333b5798b86edbfce [0,2,0,0,0,0|2,0,0]=4 1748 B13R0.146 COC(=O)[C@H](COCC=O)NC(=O)C 8a3dd740666d472a994e8d8e7cbd0f63 [0,2,0,0,0,0|2,0,0]=4 1749 B13R0.146 COC(=O)[C@H](COCCF)NC(=O)C 1a0b36e526a1da9fd68ac5eb0076afdd [0,2,0,0,0,0|2,0,0]=4 1750 B13R0.146 COC(=O)[C@H](COCCS)NC(=O)C 3411d24da93d2a1a0b51e2bafb33f906 [0,2,0,0,0,0|2,0,0]=4 1751 B13R0.146 COC(=O)[C@H](COCSC)NC(=O)C cd7a8f40eab9631f5dd4e1786a83025b [0,2,0,0,0,0|0,0,0]=2 1752 B13R0.146 COCOCC(NC(=O)C)C(=O)OC 611f43b24323dc8e39188cd0c4055a50 [0,2,0,0,0,0|0,1,0]=3 1753 B13R0.146 COCOC[C@H](NC(=O)C)C(=O)OC 89b309e38956732ffd233eaebf80c59d [0,2,0,0,0,0|0,1,0]=3 1754 B13R0.152 CSCCNC(C(=O)O)C(C)C(=O)O a4476f206b1ee5700482bf755dcba6ec [0,2,0,0,0,0|2,0,0]=4 1755 B13R0.152 CSCCNC(C(=O)O)C(O)C(=O)O 9cfe9be27542319cf0a5e5d3915a650a [0,2,0,0,0,0|2,0,0]=4 1756 B13R0.152 CSCCN[C@@H](C(=O)O)[C@@H](O)C(=O)O e0c7a8f4590f9205fcd124e94c919c9b [0,2,0,0,0,0|2,0,0]=4 1757 B13R0.152 CSCCN[C@H](C(=O)O)[C@H](O)C(=O)O 74fa870b76092d5c5863223ff8cc8b63 [0,2,0,0,0,0|2,0,0]=4 1758 B13R0.152 CSCCOC(C(=O)O)C(C)C(=O)O f22af358f547f83cd47f59cfcfa9e2a4 [0,2,0,0,0,0|2,0,0]=4 1759 B13R0.211 C#CC(C)NC(CCCSC)C(=O)O 0d57754b976dd0076479a0ff044e9071 [0,2,0,0,0,0|1,0,1]=4 1760 B13R0.211 C#CC(C)NC(CCSCC)C(=O)O c3ec3d8cdb78cb940c393ddc4ddfbe45 [0,2,0,0,0,0|1,0,1]=4 1761 B13R0.211 C#CC(C)N[C@@H](CCCSC)C(=O)O 3e2a42a7a64e3fd1bcc9aa957c4eb03d [0,2,0,0,0,0|1,0,1]=4 1762 B13R0.211 C#CC(C)N[C@@H](CCSCC)C(=O)O 4f7b94c82dea6b1f335420c53b39a1db [0,2,0,0,0,0|1,0,1]=4 1763 B13R0.211 C#CC(C)N[C@H](CCCSC)C(=O)O d815d9048a01e22a8afc43cad9089e9a [0,2,0,0,0,0|1,0,1]=4 1764 B13R0.211 C#CC(C)N[C@H](CCSCC)C(=O)O 7ac7dace62d0f14b997cd03bb6d00cce [0,2,0,0,0,0|1,0,1]=4 1765 B13R0.211 C=CC(C)NC(CCCSC)C(=O)O 385ad70e6fe0c9ec108971eeef664010 [0,2,0,0,0,0|1,0,1]=4 1766 B13R0.211 C=CC(C)NC(CCSCC)C(=O)O e8c476d122846cb243a022c1047867d2 [0,2,0,0,0,0|1,0,1]=4 1767 B13R0.211 C=CC(C)N[C@@H](CCCSC)C(=O)O cd2688f4b104f6bcdce4f2cce842e376 [0,2,0,0,0,0|1,0,1]=4 1768 B13R0.211 C=CC(C)N[C@@H](CCSCC)C(=O)O 2a3537b5204f384de316be5cfbcd1fcd [0,2,0,0,0,0|1,0,1]=4 1769 B13R0.211 C=CC(C)N[C@H](CCCSC)C(=O)O 74e35d5434c19652b4efedffc1a84214 [0,2,0,0,0,0|1,0,1]=4 1770 B13R0.211 C=CC(C)N[C@H](CCSCC)C(=O)O 30bd57c6670025ada662bfef939500f9 [0,2,0,0,0,0|1,0,1]=4 1771 B13R0.211 CC(C=O)N[C@@H](CCCCO)C(=O)O 7a27cf50c308c02a409a8959b70ee970 [0,2,0,0,0,0|1,0,1]=4 1772 B13R0.211 CC(C=O)N[C@H](CCCCO)C(=O)O 80ac269b355d99c03a49ea93bc997438 [0,2,0,0,0,0|1,0,1]=4 1773 B13R0.211 CCC(C)NC(CCCSC)C(=O)O 5e94aa7e4da948d9bc64a4ce20ea7370 [0,2,0,0,0,0|1,0,1]=4 1774 B13R0.211 CCC(C)N[C@@H](CCCSC)C(=O)O 3b9efa05a49733191a4f233ae5d9c900 [0,2,0,0,0,0|1,0,1]=4 1775 B13R0.211 CCC(C)N[C@H](CCCSC)C(=O)O 1c20c06435a3a02d9ea17f72acc4bbea [0,2,0,0,0,0|1,0,1]=4 1776 B13R0.211 CCCCCC(NC(C)C=O)C(=O)O e9c0a7d6d172512f6967b8fc54eef87b [0,2,0,0,0,0|1,0,1]=4 1777 B13R0.211 CCCCCC(N[C@H](C)C=O)C(=O)O 3e7931bec7f057afd0f5524ad9653587 [0,2,0,0,0,0|1,0,1]=4 1778 B13R0.211 CCCCC[C@@H](NC(C)C=O)C(=O)O 41f9ad38270f471713e11dab7f3384ba [0,2,0,0,0,0|1,0,1]=4 1779 B13R0.211 CCCCC[C@@H](N[C@H](C)C=O)C(=O)O 178c290316b6e9721b61d55e7d87fb3f [0,2,0,0,0,0|1,0,1]=4 1780 B13R0.211 CCCCC[C@H](NC(C)C=O)C(=O)O dd78ccc03bbc41b50615a7925fd2e9da [0,2,0,0,0,0|1,0,1]=4 1781 B13R0.211 CCCCC[C@H](N[C@H](C)C=O)C(=O)O 3de24a6ba62cf0eef2ffba35be0a85f4 [0,2,0,0,0,0|1,0,1]=4 1782 B13R0.211 CCCCNC(CC(=O)NC)C(=O)O 2b5d6ceb1a0a1bed5b541aedccd00f2b [0,2,0,0,0,0|2,0,0]=4 1783 B13R0.211 CCCCNC(CC(=O)OC)C(=O)O f4f83df987d6ff8ab05a53e0143d3ffa [0,2,0,0,0,0|2,0,0]=4 1784 B13R0.211 CCCCN[C@@H](CC(=O)NC)C(=O)O ae916dab958364b7787ebbfcc6631e6e [0,2,0,0,0,0|2,0,0]=4 1785 B13R0.211 CCCCN[C@@H](CC(=O)OC)C(=O)O 4ca1df098fd738a7653d4fa364e912fb [0,2,0,0,0,0|2,0,0]=4 1786 B13R0.211 CCCCN[C@H](CC(=O)NC)C(=O)O 91d179409015f6e5211b1f6af44e468a [0,2,0,0,0,0|2,0,0]=4 1787 B13R0.211 CCCCN[C@H](CC(=O)OC)C(=O)O f9d991df6cd84895ef381a0f5f8b296e [0,2,0,0,0,0|2,0,0]=4 1788 B13R0.211 CCCCO[C@H](CC(=O)OC)C(=O)O 2244e53558a462f8eae1520947d7d692 [0,2,0,0,0,0|2,0,0]=4 1789 B13R0.211 CCCSCC(NC(C)C=O)C(=O)O 5e0ebd986dd65aeb203f5c6fe7d9579d [0,2,0,0,0,0|1,0,1]=4 1790 B13R0.211 CCCSCC(N[C@H](C)C=O)C(=O)O e3148162a4c185dcdb66e4f577d77ff2 [0,2,0,0,0,0|1,0,1]=4 1791 B13R0.211 CCOCC[C@H](NC(C)C=O)C(=O)O 844554e567735475437b7dfcf9fc7d68 [0,2,0,0,0,0|0,1,1]=4 1792 B13R0.211 CCOCC[C@H](N[C@H](C)C=O)C(=O)O 481d6f0108dd3951430e7a204ae64767 [0,2,0,0,0,0|0,1,1]=4 1793 B13R0.211 CCSCCC(NC(C)C=O)C(=O)O d0d82849f3d0599b5f2db5de8b96fa19 [0,2,0,0,0,0|0,0,1]=3 1794 B13R0.211 CCSCCC(NC(C)CC)C(=O)O f24408eadb67019857656c9895013ba3 [0,2,0,0,0,0|1,0,1]=4 1795 B13R0.211 CCSCCC(NC(C)CO)C(=O)O e93484b11605173073c6eaaa8a0f30b8 [0,2,0,0,0,0|0,0,2]=4 1796 B13R0.211 CCSCCC(N[C@@H](C)CO)C(=O)O 38fbb7224f87065ddf6efc196a43adb4 [0,2,0,0,0,0|0,0,2]=4 1797 B13R0.211 CCSCCC(N[C@H](C)C=O)C(=O)O ee6bbc3bfa50e83a0025fcc6d993d71b [0,2,0,0,0,0|0,0,1]=3 1798 B13R0.211 CCSCCC(N[C@H](C)CO)C(=O)O c592b0cdfe92043a460b703525404f97 [0,2,0,0,0,0|0,0,2]=4 1799 B13R0.211 CCSCC[C@@H](NC(C)C=O)C(=O)O 7562bd14ed891a1f1ea04988150c0431 [0,2,0,0,0,0|0,0,1]=3 1800 B13R0.211 CCSCC[C@@H](NC(C)CC)C(=O)O 9e1533621faee31580b07990c587e604 [0,2,0,0,0,0|1,0,1]=4 1801 B13R0.211 CCSCC[C@@H](NC(C)CO)C(=O)O 73337a371a0babfc535c4828df5fdc43 [0,2,0,0,0,0|0,0,2]=4 1802 B13R0.211 CCSCC[C@@H](N[C@@H](C)CO)C(=O)O 40e3272ba319dd066f49d3e65cd6d319 [0,2,0,0,0,0|0,0,2]=4 1803 B13R0.211 CCSCC[C@@H](N[C@H](C)C=O)C(=O)O a9abd29bc872b188f1c40fc91610590a [0,2,0,0,0,0|0,0,1]=3 1804 B13R0.211 CCSCC[C@@H](N[C@H](C)CO)C(=O)O 23fb8789db3dd9f030c5b217beb206c3 [0,2,0,0,0,0|0,0,2]=4 1805 B13R0.211 CCSCC[C@H](NC(C)C=O)C(=O)O 8eb36f78cb4a9971cef23f7eae3c519f [0,2,0,0,0,0|0,0,1]=3 1806 B13R0.211 CCSCC[C@H](NC(C)CC)C(=O)O 0a7bc6070a40abc571ee58876666ef91 [0,2,0,0,0,0|1,0,1]=4 1807 B13R0.211 CCSCC[C@H](NC(C)CO)C(=O)O bc95eb6a646a8022147b7dc14ccbfc81 [0,2,0,0,0,0|0,0,2]=4 1808 B13R0.211 CCSCC[C@H](N[C@@H](C)CO)C(=O)O d92d88b736e90c98495aa665b3056050 [0,2,0,0,0,0|0,0,2]=4 1809 B13R0.211 CCSCC[C@H](N[C@H](C)C=O)C(=O)O e36f32191ffebbe60fc5c76c98f0ceb8 [0,2,0,0,0,0|0,0,1]=3 1810 B13R0.211 CCSCC[C@H](N[C@H](C)CO)C(=O)O eac221c9c0784766d9873266a69f5cb2 [0,2,0,0,0,0|0,0,2]=4 1811 B13R0.211 CNC(=O)CC(NCCOC)C(=O)O 7d65befa4475f52a9c694d689c5ee219 [0,2,0,0,0,0|1,1,0]=4 1812 B13R0.211 CNC(=O)CC(NCCSC)C(=O)O bfec68cabc5accd20ff707e28168fcd6 [0,2,0,0,0,0|1,0,0]=3 1813 B13R0.211 CNC(=O)C[C@@H](NCCOC)C(=O)O 54bb18db2199ae96be6d60ed54220f4b [0,2,0,0,0,0|1,1,0]=4 1814 B13R0.211 CNC(=O)C[C@@H](NCCSC)C(=O)O c8fcb816710339ef4a28bb9649fb6a01 [0,2,0,0,0,0|1,0,0]=3 1815 B13R0.211 CNC(=O)C[C@H](NCCOC)C(=O)O 1ac2cee140b3f7bd6bf8171761f190c6 [0,2,0,0,0,0|1,1,0]=4 1816 B13R0.211 CNC(=O)C[C@H](NCCSC)C(=O)O ec231f38d36669c5aa86f3921292985a [0,2,0,0,0,0|1,0,0]=3 1817 B13R0.211 COC(=O)CC(NCCSC)C(=O)C 1fef323ce03cf3fd1fb3f25e6d951f87 [0,2,0,0,0,0|2,0,0]=4 1818 B13R0.211 COC(=O)CC(NCCSC)C(=O)O 0e10ce55ba12d9bbb1ec66aaf59c17a9 [0,2,0,0,0,0|1,0,0]=3 1819 B13R0.211 COC(=O)CC(OCCSC)C(=O)C 5dad36c58e4350032d1d76e32b821f88 [0,2,0,0,0,0|2,0,0]=4 1820 B13R0.211 COC(=O)C[C@@H](NCCSC)C(=O)O 28dabe9bf6ac385bb1e18223958d5de3 [0,2,0,0,0,0|1,0,0]=3 1821 B13R0.211 COC(=O)C[C@@H](OCCSC)C(=O)O 4fb1877a589dd7fd74ad6d16f6b94dad [0,2,0,0,0,0|1,0,0]=3 1822 B13R0.211 COC(=O)C[C@H](NCCSC)C(=O)O 27b3f9afec1871d7dc8438371ebea0dd [0,2,0,0,0,0|1,0,0]=3 1823 B13R0.211 COCCNC(CC(=O)OC)C(=O)O 1b9e28b05d592de1e1fe348ad08f4a4a [0,2,0,0,0,0|1,1,0]=4 1824 B13R0.211 COCCN[C@@H](CC(=O)OC)C(=O)O 0ea9e17bc3da9a90977c8e3411ed6066 [0,2,0,0,0,0|1,1,0]=4 1825 B13R0.211 COCCN[C@H](CC(=O)OC)C(=O)O 150c310b669fb7a29619e69aa378ba36 [0,2,0,0,0,0|1,1,0]=4 1826 B13R0.211 COCCO[C@H](CC(=O)OC)C(=O)O 66fea0ad535d213431ae546974a79c71 [0,2,0,0,0,0|1,1,0]=4 1827 B13R0.211 CSCCCC(NC(C)C#N)C(=O)O fe6fb47b25ea9096f79671cc1521c006 [0,2,0,0,0,0|1,0,1]=4 1828 B13R0.211 CSCCCC(NC(C)C=O)C(=O)O be7bdcef9e418bf4713138c39a4b845f [0,2,0,0,0,0|0,0,1]=3 1829 B13R0.211 CSCCCC(NC(C)CO)C(=O)O 95c15989a9a623ae403ff916d74da553 [0,2,0,0,0,0|0,0,2]=4 1830 B13R0.211 CSCCCC(N[C@@H](C)CO)C(=O)O 23f7c9ecdacbaee8944274ccee9843a0 [0,2,0,0,0,0|0,0,2]=4 1831 B13R0.211 CSCCCC(N[C@H](C)C=O)C(=O)O c6ef7dfff2bdc6d02144646f94c4e5ff [0,2,0,0,0,0|0,0,1]=3 1832 B13R0.211 CSCCCC(N[C@H](C)CO)C(=O)O e28853c6a5e419e8b1172a6c16bbd667 [0,2,0,0,0,0|0,0,2]=4 1833 B13R0.211 CSCCC[C@@H](NC(C)C#N)C(=O)O 059d55a371b2dd8afd062edb2d49902d [0,2,0,0,0,0|1,0,1]=4 1834 B13R0.211 CSCCC[C@@H](NC(C)C=O)C(=O)O 5aff26f32054243da893b7350a5b700d [0,2,0,0,0,0|0,0,1]=3 1835 B13R0.211 CSCCC[C@@H](NC(C)CO)C(=O)O 3a132817fad46e8119f72ad766d081a8 [0,2,0,0,0,0|0,0,2]=4 1836 B13R0.211 CSCCC[C@@H](N[C@@H](C)CO)C(=O)O 73ed6997edf722cec094acb70a194f6b [0,2,0,0,0,0|0,0,2]=4 1837 B13R0.211 CSCCC[C@@H](N[C@H](C)C=O)C(=O)O bc6844303eb857f8e278f31c6d642600 [0,2,0,0,0,0|0,0,1]=3 1838 B13R0.211 CSCCC[C@@H](N[C@H](C)CO)C(=O)O c6fd40338ffad2d4a346558d052e27cf [0,2,0,0,0,0|0,0,2]=4 1839 B13R0.211 CSCCC[C@H](NC(C)C#N)C(=O)O e8a5b79a918ba8191de50e4234970d25 [0,2,0,0,0,0|1,0,1]=4 1840 B13R0.211 CSCCC[C@H](NC(C)C=O)C(=O)O 736a36bd70009f33c8b5c83784579b64 [0,2,0,0,0,0|0,0,1]=3 1841 B13R0.211 CSCCC[C@H](NC(C)CO)C(=O)O 4f65f008e818198e7069c6c01e20e822 [0,2,0,0,0,0|0,0,2]=4 1842 B13R0.211 CSCCC[C@H](N[C@@H](C)CO)C(=O)O 6a334f9b0309fa0fc0085a559f2fb6a7 [0,2,0,0,0,0|0,0,2]=4 1843 B13R0.211 CSCCC[C@H](N[C@H](C)C=O)C(=O)O ab2eea33bac746e96e9be244316cf252 [0,2,0,0,0,0|0,0,1]=3 1844 B13R0.211 CSCCC[C@H](N[C@H](C)CO)C(=O)O c9e387ae2472c61da1a207f7520832a3 [0,2,0,0,0,0|0,0,2]=4 1845 B13R0.211 CSCCN[C@@H](CC(=O)NO)C(=O)O 69ec583c2faa311b9a4c507632399552 [0,2,0,0,0,0|2,0,0]=4 1846 B13R0.211 C[C@H](C=O)N[C@@H](CCCCO)C(=O)O 0aa897df050305bd52178431aca34664 [0,2,0,0,0,0|1,0,1]=4 1847 B13R0.211 C[C@H](C=O)N[C@H](CCCCO)C(=O)O d3d894442adec38925912d42cdb151fe [0,2,0,0,0,0|1,0,1]=4 1848 B13R0.281 C#CCCNC[C@@H](NC(=O)C)C(=O)O d39f7c997819fc77ab64dc0b2c8e2046 [0,2,0,0,0,0|1,0,1]=4 1849 B13R0.281 C#CCCNC[C@H](NC(=O)C)C(=O)O 2c2c6df9a23fdbb92e3c82abc8bff58b [0,2,0,0,0,0|1,0,1]=4 1850 B13R0.281 C#CCCOCC(NC(=O)C)C(=O)O 7340b301a2fb50dcc5bb821de5e37f79 [0,2,0,0,0,0|1,0,1]=4 1851 B13R0.281 C#CCCOC[C@@H](NC(=O)C)C(=O)O 565a2b792813a9c3e0012eac9fb8cc71 [0,2,0,0,0,0|1,0,1]=4 1852 B13R0.281 C#CCCOC[C@H](NC(=O)C)C(=O)O 54c47acf17d4697749bae31c7a7142b8 [0,2,0,0,0,0|1,0,1]=4 1853 B13R0.281 C#CCOCCC(NC(=O)C)C(=O)O 196a37e8e15384b10ea801ef3185d4eb [0,2,0,0,0,0|0,1,0]=3 1854 B13R0.281 C/C=C/COCC(NC(=O)C)C(=O)O 9c14d3e11d02630e1da8798f30f9abdb [0,2,0,0,0,0|1,0,0]=3 1855 B13R0.281 C/C=C/COC[C@@H](NC(=O)C)C(=O)O 8e4d5fa13b176ff10b6b4c75610263e6 [0,2,0,0,0,0|1,0,0]=3 1856 B13R0.281 C/C=C/COC[C@H](NC(=O)C)C(=O)O 9aa806b42a2b48a0e8669fa1cf2714e1 [0,2,0,0,0,0|1,0,0]=3 1857 B13R0.281 C/C=C\COCC(NC(=O)C)C(=O)O beb5306378c700a7430e691659d11c78 [0,2,0,0,0,0|1,0,0]=3 1858 B13R0.281 C/C=C\COC[C@@H](NC(=O)C)C(=O)O cf4e70ab1745365b74b3faed5d3761cb [0,2,0,0,0,0|1,0,0]=3 1859 B13R0.281 C/C=C\COC[C@H](NC(=O)C)C(=O)O 29aca707e613cd9c4d7887f3755e7e92 [0,2,0,0,0,0|1,0,0]=3 1860 B13R0.281 C=C(C)CC(NCCCSC)C(=O)O f8769b98ad9b219fc82550299064e4d7 [0,2,0,0,0,0|2,0,0]=4 1861 B13R0.281 C=C(C)CC(NCCSCC)C(=O)O f93a5371866436592007b44f91af7365 [0,2,0,0,0,0|2,0,0]=4 1862 B13R0.281 C=C(C)C[C@@H](NCCCSC)C(=O)O 442175cd225734e55e08c2b0f0066f5f [0,2,0,0,0,0|2,0,0]=4 1863 B13R0.281 C=C(C)C[C@@H](NCCSCC)C(=O)O 55b1a849f71c5a3e1054cacfa4c39357 [0,2,0,0,0,0|2,0,0]=4 1864 B13R0.281 C=C(C)C[C@H](NCCCSC)C(=O)O 5b5c78fa086436b477002ac80d511332 [0,2,0,0,0,0|2,0,0]=4 1865 B13R0.281 C=C(C)C[C@H](NCCSCC)C(=O)O 811e090bf17171058b5be8146fe5548b [0,2,0,0,0,0|2,0,0]=4 1866 B13R0.281 C=CCCNC[C@@H](NC(=O)C)C(=O)O 95a983543719508d692e6f9fd104a848 [0,2,0,0,0,0|1,0,1]=4 1867 B13R0.281 C=CCCNC[C@H](NC(=O)C)C(=O)O d4fc1f3f704cb0bb3a45c10b51adbe32 [0,2,0,0,0,0|1,0,1]=4 1868 B13R0.281 C=CCCOCC(NC(=O)C)C(=O)O 4e8ae7beba5c97abdec23936f3cff0dd [0,2,0,0,0,0|1,0,1]=4 1869 B13R0.281 C=CCCOC[C@@H](NC(=O)C)C(=O)O 767e97a4386689dc65a7aa0e26637ae9 [0,2,0,0,0,0|1,0,1]=4 1870 B13R0.281 C=CCCOC[C@H](NC(=O)C)C(=O)O ddae175b19a9556848329b300a851b9e [0,2,0,0,0,0|1,0,1]=4 1871 B13R0.281 C=CCOCCC(NC(=O)C)C(=O)O 4e016c6a978388777ce794c200164f3e [0,2,0,0,0,0|0,1,0]=3 1872 B13R0.281 CC#CCNC[C@@H](NC(=O)C)C(=O)O de1d2545bba2a6262c8a8eadc2505e6a [0,2,0,0,0,0|1,0,0]=3 1873 B13R0.281 CC#CCNC[C@H](NC(=O)C)C(=O)O 268497a4a802dc29ff7e57c2b0e83454 [0,2,0,0,0,0|1,0,0]=3 1874 B13R0.281 CC#CCOC[C@@H](NC(=O)C)C(=O)O 0a10c37c2fcd4258871cf4213a6885f2 [0,2,0,0,0,0|1,0,0]=3 1875 B13R0.281 CC#CCOC[C@H](NC(=O)C)C(=O)O 6a79ce62bbe5e30d90a4035609f08fe5 [0,2,0,0,0,0|1,0,0]=3 1876 B13R0.281 CC(=O)NC(CCCNCF)C(=O)O ddd74dfb52463979b7bf4e28c77a9394 [0,2,0,0,0,0|1,0,0]=3 1877 B13R0.281 CC(=O)NC(CCCNCO)C(=O)O df96dc6f7223e405110ff2852687c7b4 [0,2,0,0,0,0|1,0,0]=3 1878 B13R0.281 CC(=O)NC(CCOCC#N)C(=O)O 0950c77ec2adc75ee67974276957208d [0,2,0,0,0,0|0,1,0]=3 1879 B13R0.281 CC(=O)NC(CCOCC=O)C(=O)O 89e787f18346ee552069d3dbf41dc21e [0,2,0,0,0,0|0,1,0]=3 1880 B13R0.281 CC(=O)NC(CCOCCF)C(=O)O a01ce03496da00f24dc9f437b3ad7fbf [0,2,0,0,0,0|0,1,0]=3 1881 B13R0.281 CC(=O)NC(CCOCCS)C(=O)O 015a6796c20b7723f481af458e96211b [0,2,0,0,0,0|0,1,0]=3 1882 B13R0.281 CC(=O)NC(COC/C=C/Cl)C(=O)O 2f3a09c31dfa1de89534618ff51c8b87 [0,2,0,0,0,0|1,0,1]=4 1883 B13R0.281 CC(=O)NC(COC/C=C\Cl)C(=O)O 92290208aeaf03f0624bb47e33c7c16d [0,2,0,0,0,0|1,0,1]=4 1884 B13R0.281 CC(=O)NC(COCCC#N)C(=O)O e0dcd0e6e88413bfd770d9c1b7570063 [0,2,0,0,0,0|1,0,1]=4 1885 B13R0.281 CC(=O)NC(COCCC=O)C(=O)O 8d0aa12174dc038a99444e580a1a23a5 [0,2,0,0,0,0|1,0,1]=4 1886 B13R0.281 CC(=O)NC(COCCCF)C(=O)O 095786566d7d23a9bad4ee95ff13d88e [0,2,0,0,0,0|1,0,0]=3 1887 B13R0.281 CC(=O)NC(COCCCS)C(=O)O 583b74cd520daac31eab8360544dbd51 [0,2,0,0,0,0|1,0,0]=3 1888 B13R0.281 CC(=O)NC(COCSC#N)C(=O)O b25ab2a00c8a12f28148da40439283cf [0,2,0,0,0,0|0,0,1]=3 1889 B13R0.281 CC(=O)N[C@@H](CCCNCF)C(=O)O 86c5677d58fe81c1a594516be9cdc66d [0,2,0,0,0,0|1,0,0]=3 1890 B13R0.281 CC(=O)N[C@@H](CCCNCO)C(=O)O 07403c1d2cb4f07a99f4ad6e71b951b4 [0,2,0,0,0,0|1,0,0]=3 1891 B13R0.281 CC(=O)N[C@@H](CNCCC#N)C(=O)O 469dbc1145086da1519e26b156053b2a [0,2,0,0,0,0|1,0,1]=4 1892 B13R0.281 CC(=O)N[C@@H](CNCCCCl)C(=O)O 4bece23d5dd4163efd9be7db189dba77 [0,2,0,0,0,0|1,0,0]=3 1893 B13R0.281 CC(=O)N[C@@H](CNCCCO)C(=O)O 3ca3ffc81bba56460c6899cb28025929 [0,2,0,0,0,0|1,0,0]=3 1894 B13R0.281 CC(=O)N[C@@H](CNCCON)C(=O)O d4de657545734d74ae7e2fda318eee6d [0,2,0,0,0,0|1,1,0]=4 1895 B13R0.281 CC(=O)N[C@@H](COC/C=C/Cl)C(=O)O 0bac60d2c14ffdccd5c893c1dd09a4a7 [0,2,0,0,0,0|1,0,1]=4 1896 B13R0.281 CC(=O)N[C@@H](COC/C=C\Cl)C(=O)O bb7f82bddf19ca5ec9b13257eaed8efe [0,2,0,0,0,0|1,0,1]=4 1897 B13R0.281 CC(=O)N[C@@H](COCC#CI)C(=O)O 66de53f12188bcf498bc214301e46f45 [0,2,0,0,0,0|1,0,1]=4 1898 B13R0.281 CC(=O)N[C@@H](COCC=CCl)C(=O)O 165391d328fa7d6d0fcd63d0ea8c3ae2 [0,2,0,0,0,0|1,0,1]=4 1899 B13R0.281 CC(=O)N[C@@H](COCCC#N)C(=O)O 9b55ba19a831875ea562ad5ff965e042 [0,2,0,0,0,0|1,0,1]=4 1900 B13R0.281 CC(=O)N[C@@H](COCCC=O)C(=O)O da53cf799150336886b0ad7d4cc38d5d [0,2,0,0,0,0|1,0,1]=4 1901 B13R0.281 CC(=O)N[C@@H](COCCCF)C(=O)O 5dd375456c572b4fd0e05b8f93ac3c64 [0,2,0,0,0,0|1,0,0]=3 1902 B13R0.281 CC(=O)N[C@@H](COCCCS)C(=O)O 0ab94276b50ed055c350cbbf8478ef99 [0,2,0,0,0,0|1,0,0]=3 1903 B13R0.281 CC(=O)N[C@@H](COCSC#N)C(=O)O 84ab5a46c3c329db01865b1c732f58d8 [0,2,0,0,0,0|0,0,1]=3 1904 B13R0.281 CC(=O)N[C@H](CNCCC#N)C(=O)O af53733e07a2653f67ae2d679b4f5336 [0,2,0,0,0,0|1,0,1]=4 1905 B13R0.281 CC(=O)N[C@H](CNCCCCl)C(=O)O 25d89117d51c23b9cdbb3e89f78c05c0 [0,2,0,0,0,0|1,0,0]=3 1906 B13R0.281 CC(=O)N[C@H](CNCCCO)C(=O)O 9f0658c17087c310b63ef5c9a7b6bae8 [0,2,0,0,0,0|1,0,0]=3 1907 B13R0.281 CC(=O)N[C@H](CNCCON)C(=O)O 9bb1128ee7386050d4da07e24d1e2d9a [0,2,0,0,0,0|1,1,0]=4 1908 B13R0.281 CC(=O)N[C@H](COC/C=C/Cl)C(=O)O cd728b00e1000a8f29da88700d9e7467 [0,2,0,0,0,0|1,0,1]=4 1909 B13R0.281 CC(=O)N[C@H](COC/C=C\Cl)C(=O)O 332e6a4466a1cda61998a76243ee40d3 [0,2,0,0,0,0|1,0,1]=4 1910 B13R0.281 CC(=O)N[C@H](COCC#CI)C(=O)O 1612a136eaec5b2b9af9902480812cb7 [0,2,0,0,0,0|1,0,1]=4 1911 B13R0.281 CC(=O)N[C@H](COCC=CCl)C(=O)O 5620d310fe71cf6e8a714310c7cf6da8 [0,2,0,0,0,0|1,0,1]=4 1912 B13R0.281 CC(=O)N[C@H](COCCC#N)C(=O)O 71d1850a964310eca5d80b3494592f3e [0,2,0,0,0,0|1,0,1]=4 1913 B13R0.281 CC(=O)N[C@H](COCCC=O)C(=O)O efb221059ffd0f36b097386adcc9c689 [0,2,0,0,0,0|1,0,1]=4 1914 B13R0.281 CC(=O)N[C@H](COCCCF)C(=O)O 4cddc846f3bf559990829e6e508d6bda [0,2,0,0,0,0|1,0,0]=3 1915 B13R0.281 CC(=O)N[C@H](COCCCS)C(=O)O 701b9fb2d1d3e899626245224a4b6899 [0,2,0,0,0,0|1,0,0]=3 1916 B13R0.281 CC(=O)N[C@H](COCSC#N)C(=O)O 6022f6e3ff429cf451223471821eaa48 [0,2,0,0,0,0|0,0,1]=3 1917 B13R0.281 CC=CCNC[C@@H](NC(=O)C)C(=O)O f676d78a7ae078d768836df18278dcb1 [0,2,0,0,0,0|1,0,0]=3 1918 B13R0.281 CC=CCNC[C@H](NC(=O)C)C(=O)O 334526378e266a1f4183e86656c59f6a [0,2,0,0,0,0|1,0,0]=3 1919 B13R0.281 CC=CCOC[C@@H](NC(=O)C)C(=O)O 5a154f0a494a654bbe58e4f363f23d32 [0,2,0,0,0,0|1,0,0]=3 1920 B13R0.281 CC=CCOC[C@H](NC(=O)C)C(=O)O aaedfc4325f1d20b735a5445ffbebc2b [0,2,0,0,0,0|1,0,0]=3 1921 B13R0.281 CCCCNC[C@@H](NC(=O)C)C(=O)O e98ff0b76f06f49c810dcd078d043624 [0,2,0,0,0,0|1,0,0]=3 1922 B13R0.281 CCCCNC[C@H](NC(=O)C)C(=O)O 6b1a2f10d0b5460881becb54573cd789 [0,2,0,0,0,0|1,0,0]=3 1923 B13R0.281 CCCCOCC(NC(=O)C)C(=O)O cefa08bc9d22576e3f76d6b348c0a5fd [0,2,0,0,0,0|1,0,0]=3 1924 B13R0.281 CCCCOC[C@@H](NC(=O)C)C(=O)O e5f7f259fbb5ce1b5ed0cf4db483df94 [0,2,0,0,0,0|1,0,0]=3 1925 B13R0.281 CCCCOC[C@H](NC(=O)C)C(=O)O 60b1cb193018b185bd0ebf6a984f049d [0,2,0,0,0,0|1,0,0]=3 1926 B13R0.281 CCCOCCC(NC(=O)C)C(=O)O 1d34706ebad20cb9a11efdaf6d31c16a [0,2,0,0,0,0|0,1,0]=3 1927 B13R0.281 CCNCCCC(NC(=O)C)C(=O)O bc17b43ef34f62a26ce8d7e22fb4d7b0 [0,2,0,0,0,0|1,0,0]=3 1928 B13R0.281 CCNCCC[C@H](NC(=O)C)C(=O)O b3e218d8b2af25a4ea147bb61d6bfea1 [0,2,0,0,0,0|1,0,0]=3 1929 B13R0.281 CCOCOCC(NC(=O)C)C(=O)O 130ac1f6f865bb1bdf8dd96dea323454 [0,2,0,0,0,0|0,1,0]=3 1930 B13R0.281 CCOCOC[C@@H](NC(=O)C)C(=O)O 0423d2522c422bda466915e235faff0c [0,2,0,0,0,0|0,1,0]=3 1931 B13R0.281 CCOCOC[C@H](NC(=O)C)C(=O)O 4c9955fd2fee3a099058d3b2b2958a42 [0,2,0,0,0,0|0,1,0]=3 1932 B13R0.281 CCSCCNC(CC(=O)N)C(=O)O 4efc54be8fbd888bc23e89759128e266 [0,2,0,0,0,0|2,0,0]=4 1933 B13R0.281 CCSCCNC(CC(=O)O)C(=O)O b9a9d4811cebc2be193fa83c8e50185e [0,2,0,0,0,0|2,0,0]=4 1934 B13R0.281 CCSCCN[C@@H](CC(=O)N)C(=O)O 1b88c499825c15e06770967e15f8e952 [0,2,0,0,0,0|2,0,0]=4 1935 B13R0.281 CCSCCN[C@@H](CC(=O)O)C(=O)O a3ac9a83d4778b4d6590f41c5c802111 [0,2,0,0,0,0|2,0,0]=4 1936 B13R0.281 CCSCCN[C@@H](CS(=O)C)C(=O)O ba94ebbeae0dcc4bc51172405ac42a48 [0,2,0,0,0,0|2,0,0]=4 1937 B13R0.281 CCSCCN[C@H](CC(=O)N)C(=O)O 9d971828160787150850594dc8ebe247 [0,2,0,0,0,0|2,0,0]=4 1938 B13R0.281 CCSCCN[C@H](CC(=O)O)C(=O)O 04070c423b7aee65df93fc5b424377ba [0,2,0,0,0,0|2,0,0]=4 1939 B13R0.281 CCSCCOC(CC(=O)C)C(=O)C b68da51247045ce900eae40ba705eead [0,2,0,0,0,0|2,0,0]=4 1940 B13R0.281 CCSCCOC(CC(=O)O)C(=O)O b8b272c97a724a928eb8a1cbc41dd921 [0,2,0,0,0,0|2,0,0]=4 1941 B13R0.281 CCSCCO[C@@H](CC(=O)O)C(=O)O 9421e6e8e03ae98ba1c535262cbb3e3f [0,2,0,0,0,0|2,0,0]=4 1942 B13R0.281 CCSCCO[C@H](CC(=O)O)C(=O)O 7b453c3fcc020f92d3b079344b54f909 [0,2,0,0,0,0|2,0,0]=4 1943 B13R0.281 COCCNC[C@@H](NC(=O)C)C(=O)O 3a3685191b7b759f84afe8014debc939 [0,2,0,0,0,0|0,1,0]=3 1944 B13R0.281 COCCNC[C@H](NC(=O)C)C(=O)O e27727c8faa1ccdd636fb6ee8e53b233 [0,2,0,0,0,0|0,1,0]=3 1945 B13R0.281 COCCOCC(NC(=O)C)C(=O)O 7891e40b3b928b9c6cf158e53959b4d1 [0,2,0,0,0,0|0,1,0]=3 1946 B13R0.281 COCCOC[C@@H](NC(=O)C)C(=O)O 0f81039fc7533098be2a21da5ae05a6e [0,2,0,0,0,0|0,1,0]=3 1947 B13R0.281 COCCOC[C@H](NC(=O)C)C(=O)O ce1649d23c7c04fbe1f3d6c6d08f84d1 [0,2,0,0,0,0|0,1,0]=3 1948 B13R0.281 COCOCCC(NC(=O)C)C(=O)O b318c376046462ab2eefcdd3337271c2 [0,2,0,0,0,0|0,1,0]=3 1949 B13R0.281 CSCCCNC(CC(=O)N)C(=O)O d0526b683e789a0a7348658716be025d [0,2,0,0,0,0|2,0,0]=4 1950 B13R0.281 CSCCCNC(CC(=O)O)C(=O)O dbfd080c45ea0e6f3f97dfef4a2f704e [0,2,0,0,0,0|2,0,0]=4 1951 B13R0.281 CSCCCN[C@@H](CC(=O)N)C(=O)O c9d0a7f22292e55f048b49561cdeb9a8 [0,2,0,0,0,0|2,0,0]=4 1952 B13R0.281 CSCCCN[C@@H](CC(=O)O)C(=O)O d372d7dd770e529971c6d65e67e2db20 [0,2,0,0,0,0|2,0,0]=4 1953 B13R0.281 CSCCCN[C@@H](CS(=O)C)C(=O)O cfca194235b1e4030879393769d2477c [0,2,0,0,0,0|2,0,0]=4 1954 B13R0.281 CSCCCN[C@H](CC(=O)N)C(=O)O 2ad85390de8a4be725759ba24ac36c2b [0,2,0,0,0,0|2,0,0]=4 1955 B13R0.281 CSCCCN[C@H](CC(=O)O)C(=O)O 32aa6f57e2cc6c7b47b702b81b01f4a2 [0,2,0,0,0,0|2,0,0]=4 1956 B13R0.281 CSCCCOC(CC(=O)C)C(=O)C 6b11b460a204b981555e39d280d48662 [0,2,0,0,0,0|2,0,0]=4 1957 B13R0.281 CSCCCOC(CC(=O)O)C(=O)O 02988afd268325f33d726e73bd8cd0fb [0,2,0,0,0,0|2,0,0]=4 1958 B13R0.281 CSCCCO[C@@H](CC(=O)O)C(=O)O 6d4ed500204e1eb820bf85044186a8bd [0,2,0,0,0,0|2,0,0]=4 1959 B13R0.281 CSCCCO[C@H](CC(=O)O)C(=O)O 68789b7bc60ed3a1f87e3feaff316a56 [0,2,0,0,0,0|2,0,0]=4 1960 B13R0.281 CSCCNC[C@@H](NC(=O)C)C(=O)O db5f70e84dfac16dd784996b2dd595fc [0,2,0,0,0,0|0,0,0]=2 1961 B13R0.281 CSCCNC[C@H](NC(=O)C)C(=O)O d1646fb8d6d46d05c2a00eaac0812720 [0,2,0,0,0,0|0,0,0]=2 1962 B13R0.281 CSCCOCC(NC(=O)C)C(=O)O acac98abcbd6eb4e4a5285dd2a624d3b [0,2,0,0,0,0|0,0,0]=2 1963 B13R0.281 CSCCOC[C@@H](NC(=O)C)C(=O)O e3024277cb7b8c380a20753ffa4e90c5 [0,2,0,0,0,0|0,0,0]=2 1964 B13R0.281 CSCCOC[C@H](NC(=O)C)C(=O)O c70f0d436c0ef1d268d8c02df93746c3 [0,2,0,0,0,0|0,0,0]=2 1965 B13R0.281 CSCOCCC(NC(=O)C)C(=O)O 42d83372fba1eadf12f415f1ce8024ef [0,2,0,0,0,0|0,0,0]=2 1966 B13R0.432 C#CC(C)NC[C@@H](NC(=O)C)C(=O)O 940627bf8ebe889c349fcf02fe9d2d67 [0,2,0,0,0,0|1,0,1]=4 1967 B13R0.432 C#CC(C)NC[C@H](NC(=O)C)C(=O)O ca422afa0d8119bfe22e037070bae9d8 [0,2,0,0,0,0|1,0,1]=4 1968 B13R0.432 C#CC(C)OC[C@@H](NC(=O)C)C(=O)O 18cb95106d2f6459d545d62f2dbffdb2 [0,2,0,0,0,0|1,0,1]=4 1969 B13R0.432 C#CC(C)OC[C@H](NC(=O)C)C(=O)O 6ae164166216f4e2c0a5d18a8c068b2b [0,2,0,0,0,0|1,0,1]=4 1970 B13R0.432 C#C[C@@H](C)NC[C@@H](NC(=O)C)C(=O)O 578b44e5f09de533d774995b476e6029 [0,2,0,0,0,0|1,0,1]=4 1971 B13R0.432 C#C[C@@H](C)NC[C@H](NC(=O)C)C(=O)O 6d3ffe3cc28e1d7648d0c868190b4240 [0,2,0,0,0,0|1,0,1]=4 1972 B13R0.432 C#C[C@@H](C)OC[C@@H](NC(=O)C)C(=O)O 7539448b4bee81cbf44e9da349040a50 [0,2,0,0,0,0|1,0,1]=4 1973 B13R0.432 C#C[C@@H](C)OC[C@H](NC(=O)C)C(=O)O f95c396b04d42b036ea781b10dea3f34 [0,2,0,0,0,0|1,0,1]=4 1974 B13R0.432 C#C[C@H](C)NC[C@@H](NC(=O)C)C(=O)O 1d6a50733a415343d66258a0ea538106 [0,2,0,0,0,0|1,0,1]=4 1975 B13R0.432 C#C[C@H](C)NC[C@H](NC(=O)C)C(=O)O 66d07dbd239fdedc42179401a3fe7256 [0,2,0,0,0,0|1,0,1]=4 1976 B13R0.432 C#C[C@H](C)OC[C@@H](NC(=O)C)C(=O)O 052958fc2b2e25d6fd1d61ec370d90f7 [0,2,0,0,0,0|1,0,1]=4 1977 B13R0.432 C#C[C@H](C)OC[C@H](NC(=O)C)C(=O)O 615691413191431b2daa224c86562dd2 [0,2,0,0,0,0|1,0,1]=4 1978 B13R0.432 C=CC(C)NC[C@@H](NC(=O)C)C(=O)O 82142688303ee7075428c9571cf310e8 [0,2,0,0,0,0|1,0,1]=4 1979 B13R0.432 C=CC(C)NC[C@H](NC(=O)C)C(=O)O 8a161716d8b3b9eefd7e34f2e7b42499 [0,2,0,0,0,0|1,0,1]=4 1980 B13R0.432 C=CC(C)OCC(NC(=O)C)C(=O)O c631bf83a5c3b221279f1536d5877c70 [0,2,0,0,0,0|1,0,1]=4 1981 B13R0.432 C=CC(C)OC[C@@H](NC(=O)C)C(=O)O 29a0686d2cd8e11446501fc66d43b79a [0,2,0,0,0,0|1,0,1]=4 1982 B13R0.432 C=CC(C)OC[C@H](NC(=O)C)C(=O)O abbbc5602689f3e8d32035110152556b [0,2,0,0,0,0|1,0,1]=4 1983 B13R0.432 C=C[C@H](C)OC[C@@H](NC(=O)C)C(=O)O 7aed1c97b4c353efc6f854fc5cedd05d [0,2,0,0,0,0|1,0,1]=4 1984 B13R0.432 C=C[C@H](C)OC[C@H](NC(=O)C)C(=O)O 816ee6ad81ea32be770291c423d46f15 [0,2,0,0,0,0|1,0,1]=4 1985 B13R0.432 CC(=O)NC(COC(C)C=O)C(=O)O f7b2b5217ca408aeed29dde1811cd1dc [0,2,0,0,0,0|2,0,0]=4 1986 B13R0.432 CC(=O)NC(CO[C@H](C)C=O)C(=O)O 5bf71b44881e27be2be480b079c452b3 [0,2,0,0,0,0|2,0,0]=4 1987 B13R0.432 CC(=O)N[C@@H](CNC(C)C#N)C(=O)O fae151f4b2142e37977718ed516ae141 [0,2,0,0,0,0|2,0,0]=4 1988 B13R0.432 CC(=O)N[C@@H](CNC(C)CO)C(=O)O 51024cce51810f230ce1fea524494c9d [0,2,0,0,0,0|2,0,0]=4 1989 B13R0.432 CC(=O)N[C@@H](CN[C@@H](C)CO)C(=O)O 97f37669ee0a210b77730f6586a82dc7 [0,2,0,0,0,0|2,0,0]=4 1990 B13R0.432 CC(=O)N[C@@H](CN[C@H](C)CO)C(=O)O beb8000c7a185e23d39408d923091dec [0,2,0,0,0,0|2,0,0]=4 1991 B13R0.432 CC(=O)N[C@@H](COC(C)C=O)C(=O)O ec3a0b329e30a2c2e778968301e7d673 [0,2,0,0,0,0|2,0,0]=4 1992 B13R0.432 CC(=O)N[C@@H](COC(C)CF)C(=O)O dd4d125f6c6661d3232366af48b2d946 [0,2,0,0,0,0|2,0,0]=4 1993 B13R0.432 CC(=O)N[C@@H](COC(C)CS)C(=O)O c0851e28a0e1f3e74123a44694e9ab27 [0,2,0,0,0,0|2,0,0]=4 1994 B13R0.432 CC(=O)N[C@@H](CO[C@H](C)C=O)C(=O)O 5455d4cfde951b5c2f601cb3d24a59f7 [0,2,0,0,0,0|2,0,0]=4 1995 B13R0.432 CC(=O)N[C@@H](CO[C@H](C)CS)C(=O)O 65590ca0b8cb2a4bb47bf9207bf243c5 [0,2,0,0,0,0|2,0,0]=4 1996 B13R0.432 CC(=O)N[C@H](CNC(C)C#N)C(=O)O ba71124243c83e29776c632803ee542a [0,2,0,0,0,0|2,0,0]=4 1997 B13R0.432 CC(=O)N[C@H](CNC(C)CO)C(=O)O e2a6bb233456c87c043416a21a5b0ee6 [0,2,0,0,0,0|2,0,0]=4 1998 B13R0.432 CC(=O)N[C@H](CN[C@@H](C)CO)C(=O)O 0cc8c60636ab6c3278471ccd60e42712 [0,2,0,0,0,0|2,0,0]=4 1999 B13R0.432 CC(=O)N[C@H](CN[C@H](C)CO)C(=O)O 0af93e0e0ad0bfdcccf92818177d7f6c [0,2,0,0,0,0|2,0,0]=4 2000 B13R0.432 CC(=O)N[C@H](COC(C)C=O)C(=O)O 6e6776f1ef4056ec203e3d01728e15bf [0,2,0,0,0,0|2,0,0]=4 2001 B13R0.432 CC(=O)N[C@H](COC(C)CF)C(=O)O 860eed10d7e1f9de2bf0221fa9e30196 [0,2,0,0,0,0|2,0,0]=4 2002 B13R0.432 CC(=O)N[C@H](COC(C)CS)C(=O)O 80dc997481b34a12d542b473420b4eae [0,2,0,0,0,0|2,0,0]=4 2003 B13R0.432 CC(=O)N[C@H](CO[C@H](C)C=O)C(=O)O 2a4c215f086d4518115357ffe858672b [0,2,0,0,0,0|2,0,0]=4 2004 B13R0.432 CC(=O)N[C@H](CO[C@H](C)CS)C(=O)O 50d5b6d3742bdb9a3232c150ba2cdaca [0,2,0,0,0,0|2,0,0]=4 2005 B13R0.432 CCC(C)NC[C@@H](NC(=O)C)C(=O)O 009fdba828a39cc05b734c94f0291c4e [0,2,0,0,0,0|1,0,0]=3 2006 B13R0.432 CCC(C)NC[C@H](NC(=O)C)C(=O)O 074892c3f0a4b5f6281efcaa62cf30b0 [0,2,0,0,0,0|1,0,0]=3 2007 B13R0.432 CCC(C)OCC(NC(=O)C)C(=O)O 7c61a52799910a6090304395cd1b6969 [0,2,0,0,0,0|1,0,0]=3 2008 B13R0.432 CCC(C)OC[C@@H](NC(=O)C)C(=O)O e4af7a27ca9f588dbda9438921445314 [0,2,0,0,0,0|1,0,0]=3 2009 B13R0.432 CCC(C)OC[C@H](NC(=O)C)C(=O)O 7bcad4e93d99a1b3bc8eefa28bf6e8e3 [0,2,0,0,0,0|1,0,0]=3 2010 B13R0.432 CC[C@@H](C)NC[C@@H](NC(=O)C)C(=O)O 7f4b698ee962eecf8b44b4206c13cb83 [0,2,0,0,0,0|1,0,0]=3 2011 B13R0.432 CC[C@@H](C)NC[C@H](NC(=O)C)C(=O)O ea87788f5acdc08f7edf866d8fd6c01c [0,2,0,0,0,0|1,0,0]=3 2012 B13R0.432 CC[C@@H](C)OC[C@@H](NC(=O)C)C(=O)O 48ec95550faafe93d9f5293fc672af0e [0,2,0,0,0,0|1,0,0]=3 2013 B13R0.432 CC[C@@H](C)OC[C@H](NC(=O)C)C(=O)O 800094785ff8ef995ba82ecf39898ec3 [0,2,0,0,0,0|1,0,0]=3 2014 B13R0.432 CC[C@H](C)NC[C@@H](NC(=O)C)C(=O)O 3015e1d9f64a83b1631943a474ea7b31 [0,2,0,0,0,0|1,0,0]=3 2015 B13R0.432 CC[C@H](C)NC[C@H](NC(=O)C)C(=O)O 70b02a6d9bcd9ebfc192906cdaa78a68 [0,2,0,0,0,0|1,0,0]=3 2016 B13R0.432 CC[C@H](C)OC[C@@H](NC(=O)C)C(=O)O 165d91dd05fd985b5b0a1cfb61fbdc08 [0,2,0,0,0,0|1,0,0]=3 2017 B13R0.432 CC[C@H](C)OC[C@H](NC(=O)C)C(=O)O 9795cd539a3e0572e5cbc9cac58fc4cb [0,2,0,0,0,0|1,0,0]=3 2018 B13R0.432 COC(=O)CC[C@H](NC(=O)C)C(=O)N 8f8628cdd21c7b8e235cfa003bc9baee [0,2,0,0,0,0|1,1,0]=4 2019 B13R0.443 C=C(Br)CNC[C@@H](NC(=O)C)C(=O)O bc94745fcf846f6b6ae1446dde1b475a [0,2,0,0,0,0|1,0,1]=4 2020 B13R0.443 C=C(Br)CNC[C@H](NC(=O)C)C(=O)O 48fbc4ca453b25ba525d53b3b9337887 [0,2,0,0,0,0|1,0,1]=4 2021 B13R0.443 C=C(Br)COCC(NC(=O)C)C(=O)O 51691773266a81ab431fc30e26556308 [0,2,0,0,0,0|1,0,1]=4 2022 B13R0.443 C=C(Br)COC[C@@H](NC(=O)C)C(=O)O f9fc205498de787410eb170fc52d70ab [0,2,0,0,0,0|1,0,1]=4 2023 B13R0.443 C=C(Br)COC[C@H](NC(=O)C)C(=O)O 009f4a898f19800ba39b929c0b02fdd0 [0,2,0,0,0,0|1,0,1]=4 2024 B13R0.443 C=C(C)CNC[C@@H](NC(=O)C)C(=O)O c5d3946f74c0621f762d40508b0c1264 [0,2,0,0,0,0|1,0,0]=3 2025 B13R0.443 C=C(C)CNC[C@H](NC(=O)C)C(=O)O 15c3eb9ec67889aafd44ff9cb2a30305 [0,2,0,0,0,0|1,0,0]=3 2026 B13R0.443 C=C(C)COCC(NC(=O)C)C(=O)O bc10e0a2515c3b8567dae6f01dfe351b [0,2,0,0,0,0|1,0,0]=3 2027 B13R0.443 C=C(C)COC[C@@H](NC(=O)C)C(=O)O e602f1010556865198c1780b2c2fd24b [0,2,0,0,0,0|1,0,0]=3 2028 B13R0.443 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CSCC[C@@H](NC(=O)CF)C(C)(C)O b21ec78f0eec73120eac99df5b0a23b7 [0,2,0,0,0,0|1,0,1]=4 2088 B13R0.1304 CSCC[C@@H](NC(=O)CO)C(C)(C)O 5be476033d700b2e7e7f386b1733e525 [0,2,0,0,0,0|1,0,1]=4 2089 B13R0.1304 CSCC[C@@H](NC(=O)CS)C(C)(C)O ef382a89b8466addd978629630410ab9 [0,2,0,0,0,0|1,0,1]=4 2090 B13R0.377 CCC(C=O)NC(CCSC)C(=O)O 4df82ce269b755c7fd674754123e2e25 [0,2,0,0,0,0|0,0,1]=3 2091 B13R0.377 CCC(C=O)N[C@@H](CCOC)C(=O)O 9a8189a71ed82c131eb31b083557d228 [0,2,0,0,0,0|0,1,1]=4 2092 B13R0.377 CCC(C=O)N[C@@H](CCSC)C(=O)N 7674e5068d69bce7e53b543f6832cb47 [0,2,0,0,0,0|1,0,1]=4 2093 B13R0.377 CCC(C=O)N[C@@H](CCSC)C(=O)O 0da0c2eb131ebd42e86c48bf19478712 [0,2,0,0,0,0|0,0,1]=3 2094 B13R0.377 CCC(C=O)N[C@H](CCSC)C(=O)O aa50e2060db92f532b63aa3d1249cd4b [0,2,0,0,0,0|0,0,1]=3 2095 B13R0.377 CCC(C=O)OC(CCSC)C(=O)O a37f1c0527c472f35f3ef323de0e36bc [0,2,0,0,0,0|1,0,1]=4 2096 B13R0.377 CCC(CO)NC(CCSC)C(=O)O bf438d0c4b03d104251658b43a105297 [0,2,0,0,0,0|0,0,2]=4 2097 B13R0.377 CCC(CO)N[C@@H](CCSC)C(=O)O a7fdec5b8e5c45e6a1a225dfb091e3a7 [0,2,0,0,0,0|0,0,2]=4 2098 B13R0.377 CCC(CO)N[C@H](CCSC)C(=O)O e8384a29c6c2d85ecb7e25b7f031d863 [0,2,0,0,0,0|0,0,2]=4 2099 B13R0.377 CCCCC(NC(C=O)CC)C(=O)O d705309c095698313573f69cba8bc9ba [0,2,0,0,0,0|1,0,1]=4 2100 B13R0.377 CCCC[C@@H](NC(C=O)CC)C(=O)O eec0d6e051328545f6bd122d65beac8b [0,2,0,0,0,0|1,0,1]=4 2101 B13R0.377 CCCC[C@H](NC(C=O)CC)C(=O)O a7a5f5703ef0ca8cc6551b478a861481 [0,2,0,0,0,0|1,0,1]=4 2102 B13R0.377 CSCCC(NC(C#N)C=O)C(=O)O 31cabb116d7495ac6470832d6b5520b7 [0,2,0,0,0,0|0,0,2]=4 2103 B13R0.377 CSCCC(NC(C=O)C=O)C(=O)O fe18b5385b647acea7a00657c631062e [0,2,0,0,0,0|0,0,2]=4 2104 B13R0.377 CSCCC(NC(CO)CO)C(=O)O 98a68e42aee1fde210aa91f687b1f79a [0,2,0,0,0,0|0,0,2]=4 2105 B13R0.377 CSCC[C@@H](NC(C#N)C=O)C(=O)O 4796f2a36698fa6104ed599ad11b87f8 [0,2,0,0,0,0|0,0,2]=4 2106 B13R0.377 CSCC[C@@H](NC(C=O)C=O)C(=O)O db0d94e41cea10804c8aaab515e88a4d [0,2,0,0,0,0|0,0,2]=4 2107 B13R0.377 CSCC[C@@H](NC(CO)CO)C(=O)O 308674abd416703ea8bd9ece378aa780 [0,2,0,0,0,0|0,0,2]=4 2108 B13R0.377 CSCC[C@H](NC(C#N)C=O)C(=O)O 06a4be1511bcec0c9e4be9e79366e76e [0,2,0,0,0,0|0,0,2]=4 2109 B13R0.377 CSCC[C@H](NC(C=O)C=O)C(=O)O cbfcdc77d28912c6a8ddfdf22656c31e [0,2,0,0,0,0|0,0,2]=4 2110 B13R0.377 CSCC[C@H](NC(CO)CO)C(=O)O 644844ddc658ab35a3c553b4ba4e8fc4 [0,2,0,0,0,0|0,0,2]=4 2111 B13R0.477 C#CC(=O)N(C)C(CCSC)C(=O)N 6e14053930fa0b1e83205b8c5b964d1d [0,2,0,0,0,0|1,0,1]=4 2112 B13R0.477 C#CC(C)N(C)[C@@H](CCSC)C(=O)O 31e3f97e6d63b575bb5501ff67ded9dc [0,2,0,0,0,0|1,0,1]=4 2113 B13R0.477 C#CC(C)N(C)[C@H](CCSC)C(=O)O 61846e1ef6ecbd54fbb28848bef13e26 [0,2,0,0,0,0|1,0,1]=4 2114 B13R0.477 C=CC(=O)N(C)C(CCSC)C(=O)N 35954283d9f7696ad6357e1a59a8505b [0,2,0,0,0,0|1,0,1]=4 2115 B13R0.477 C=CC(C)N(C)[C@@H](CCSC)C(=O)O 8de24434a91f2607064131095e0c9b4b [0,2,0,0,0,0|1,0,1]=4 2116 B13R0.477 C=CC(C)N(C)[C@H](CCSC)C(=O)O 90a2fdc63c8536ad4f575d0d804f4218 [0,2,0,0,0,0|1,0,1]=4 2117 B13R0.477 CCC(=O)N(C)C(CCSC)C(=O)N 78bf8f6d03db05a65bb5aa3aa17cf72f [0,2,0,0,0,0|1,0,0]=3 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B13R0.477 CSCCC(C(=O)N)N(C)C(=O)CO 240131f274f8a6b582a615a5cd753306 [0,2,0,0,0,0|1,0,0]=3 2129 B13R0.477 CSCCC(C(=O)N)N(C)C(=O)CS 54731bf7eafe67f0461d3a581e52da7a [0,2,0,0,0,0|1,0,0]=3 2130 B13R0.477 CSCCC(C(=O)N)N(C)C(C)C=O efc1e60e5be2bb4f8fe6789d80360de4 [0,2,0,0,0,0|1,0,1]=4 2131 B13R0.477 CSCCC(C(=O)N)N(C)[C@H](C)C=O b029d6e0e7e4a958bf4b1addaec71dde [0,2,0,0,0,0|1,0,1]=4 2132 B13R0.477 CSCC[C@@H](C(=O)O)N(C)C(C)C=O d13b1de16924a37e76d48352032e0514 [0,2,0,0,0,0|0,0,1]=3 2133 B13R0.477 CSCC[C@@H](C(=O)O)N(C)C(C)CO b73819ec61a5895eb2635ce6ae920f27 [0,2,0,0,0,0|0,0,2]=4 2134 B13R0.477 CSCC[C@@H](C(=O)O)N(C)[C@@H](C)CO 5d31063ca548df7228553c6909c4d27a [0,2,0,0,0,0|0,0,2]=4 2135 B13R0.477 CSCC[C@@H](C(=O)O)N(C)[C@H](C)C=O 67325571f6d66b5c61ad3d5233393a5d [0,2,0,0,0,0|0,0,1]=3 2136 B13R0.477 CSCC[C@@H](C(=O)O)N(C)[C@H](C)CO f96283f38dc13d36cc5885c3dffd9bcd [0,2,0,0,0,0|0,0,2]=4 2137 B13R0.477 CSCC[C@H](C(=O)O)N(C)C(C)C=O 4defe382654ecf8e6a498550f1e62971 [0,2,0,0,0,0|0,0,1]=3 2138 B13R0.477 CSCC[C@H](C(=O)O)N(C)C(C)CO 15c7eeea53936370e345d87d6f44f0ef [0,2,0,0,0,0|0,0,2]=4 2139 B13R0.477 CSCC[C@H](C(=O)O)N(C)[C@@H](C)CO 24f577515c6e47df499743f7e699a635 [0,2,0,0,0,0|0,0,2]=4 2140 B13R0.477 CSCC[C@H](C(=O)O)N(C)[C@H](C)C=O c6aa0b7b9b0e0775e6d20755b5e66356 [0,2,0,0,0,0|0,0,1]=3 2141 B13R0.477 CSCC[C@H](C(=O)O)N(C)[C@H](C)CO c42b4f227d2700b2706c4102df577f24 [0,2,0,0,0,0|0,0,2]=4 2142 B13R0.829 CCC(C)CC(NC(C)C=O)C(=O)O 3c77a21a006417020cf82abfd03c1b9a [0,2,0,0,0,0|1,0,1]=4 2143 B13R0.829 CCC(C)CC(N[C@H](C)C=O)C(=O)O 3c45504388bbf2af3a43297e93327376 [0,2,0,0,0,0|1,0,1]=4 2144 B13R0.1305 COC(=O)C(CCSC)OC(C)C=O 719be4352833c335c525d2ef3db4983b [0,2,0,0,0,0|1,0,1]=4 2145 B13R0.1305 COC(=O)C(CCSC)O[C@H](C)C=O af48c48aeb81c96e290d2568ccd82855 [0,2,0,0,0,0|1,0,1]=4 2146 B13R0.1305 COC(=O)CC(OCSC)C(=O)OC 1080cd89f87342b09df146f77fd5f54e [0,2,0,0,0,0|2,0,0]=4 2147 B13R0.1305 COC(=O)CN(CCSC)C(=O)CO 48f4abd41a72587f54d4ae31cadcc021 [0,2,0,0,0,0|2,0,0]=4 2148 B13R0.1305 COC(=O)C[C@@H](OCSC)C(=O)OC 7a56b0b4bb64921b3a0620eaf284f040 [0,2,0,0,0,0|2,0,0]=4 2149 B13R0.1305 COC(=O)C[C@H](OCSC)C(=O)OC 1201f31b8a36b91d565004e840382ef8 [0,2,0,0,0,0|2,0,0]=4 2150 B13R0.1306 C#CCC(=O)NC(CCCC)C(=O)N f0829d56fe2ed60bd8397a5cf653c621 [0,2,0,0,0,0|2,0,0]=4 2151 B13R0.1306 C#CCC(=O)N[C@@H](CCSC)C(=O)N a1194dc2e1d6a3fd40aced58ee4d21f8 [0,2,0,0,0,0|1,0,0]=3 2152 B13R0.1306 C/C=C/C(=O)NC(CCCC)C(=O)N 96cfc2d3a16256474056a886d1dee033 [0,2,0,0,0,0|2,0,0]=4 2153 B13R0.1306 C/C=C/C(=O)N[C@@H](CCSC)C(=O)N deb4c7093bac9ca5127d636cc4a94edd [0,2,0,0,0,0|1,0,0]=3 2154 B13R0.1306 C=CCC(=O)NC(CCCC)C(=O)N 120b462f72c37fca83f2c62ee9c10781 [0,2,0,0,0,0|2,0,0]=4 2155 B13R0.1306 C=CCC(=O)N[C@@H](CCSC)C(=O)N 7a79266ef3b65aec881a86468ffdecce [0,2,0,0,0,0|1,0,0]=3 2156 B13R0.1306 CC#CC(=O)NC(CCCC)C(=O)N 1f0bcf06987e1e50c92e26d827bf973a [0,2,0,0,0,0|2,0,0]=4 2157 B13R0.1306 CC#CC(=O)N[C@@H](CCSC)C(=O)N 82de21c4a386b38dc2dd9d2faf864374 [0,2,0,0,0,0|1,0,0]=3 2158 B13R0.1306 CCCC(=O)N[C@@H](CCSC)C(=O)N 5e193f85523ab14dead423a8bf750623 [0,2,0,0,0,0|1,0,0]=3 2159 B13R0.1306 CCCC(C)NC(CCSC)C(=O)O 09f0d3e649c2483454d24476bdb67d54 [0,2,0,0,0,0|1,0,1]=4 2160 B13R0.1306 CCCC(C)N[C@@H](CCSC)C(=O)O ee322649e0551ddb24718f0364897283 [0,2,0,0,0,0|1,0,1]=4 2161 B13R0.1306 CCCC(C)N[C@H](CCSC)C(=O)O 1e7fba2717a5f92e165ff66cb51da9ad [0,2,0,0,0,0|1,0,1]=4 2162 B13R0.1306 CCCCC(NC(=O)CC#N)C(=O)N f173c6cfc253ce05461f398355d4b49a [0,2,0,0,0,0|2,0,0]=4 2163 B13R0.1306 CCCCC(NC(=O)CC=O)C(=O)N dfcc130a6a0a029e5af3750e9caf91bb [0,2,0,0,0,0|2,0,0]=4 2164 B13R0.1306 CCCCC(NC(=O)CCC)C(=O)N d84178a91634411f22aecee0c79a0092 [0,2,0,0,0,0|2,0,0]=4 2165 B13R0.1306 CCCCC(NC(=O)CCF)C(=O)N b52c3c52ad72c70912964ed3e0f628e7 [0,2,0,0,0,0|2,0,0]=4 2166 B13R0.1306 CCCCC(NC(=O)CCO)C(=O)N efc068447d8aea13f44586e3a13b69e4 [0,2,0,0,0,0|2,0,0]=4 2167 B13R0.1306 CCCCC(NC(=O)CCS)C(=O)N c162cc72574c118e162a0e2dbe291550 [0,2,0,0,0,0|2,0,0]=4 2168 B13R0.1306 CCCCC(NC(=O)COC)C(=O)N 0f5be5c7efe46d5745d2fc63053381c9 [0,2,0,0,0,0|2,0,0]=4 2169 B13R0.1306 CCCCC(NC(=O)CON)C(=O)N 3677759e70253a09828b08bda30679d6 [0,2,0,0,0,0|2,0,0]=4 2170 B13R0.1306 CCCCC(NC(=O)CSC)C(=O)N 239072e1cc0be78e050f42fe043eb6ce [0,2,0,0,0,0|2,0,0]=4 2171 B13R0.1306 COCC(=O)N[C@@H](CCSC)C(=O)N 36b5024fc703324010966fc9dbc0f229 [0,2,0,0,0,0|1,0,0]=3 2172 B13R0.1306 COCC(C)NC(CCSC)C(=O)O 639e3c95db7913c873071b9478dc6931 [0,2,0,0,0,0|0,0,2]=4 2173 B13R0.1306 COCC(C)N[C@@H](CCSC)C(=O)O a0564fbba664f93829a0b2d6d2ff6915 [0,2,0,0,0,0|0,0,2]=4 2174 B13R0.1306 COCC(C)N[C@H](CCSC)C(=O)O 1d9d40ae57cdfe8252dfc584cfded19c [0,2,0,0,0,0|0,0,2]=4 2175 B13R0.1306 COCC[C@H](NC(=O)NC#N)C(=O)O 9a9495aa7d61ec2e876ba91d10702e6f [0,2,0,0,0,0|0,1,1]=4 2176 B13R0.1306 CSCCC(NC(=O)NC#N)C(=O)O cb3cddfd01da221710a9a0e9ed45787f [0,2,0,0,0,0|0,0,1]=3 2177 B13R0.1306 CSCCC(NC(=S)NC#N)C(=O)O 6ac6ee0203c1b88faa803a86274251d2 [0,2,0,0,0,0|0,1,1]=4 2178 B13R0.1306 CSCCC(NC(C)CC#N)C(=O)O 2c7e8d69975382c7a1d3b49e7720d18f [0,2,0,0,0,0|1,0,1]=4 2179 B13R0.1306 CSCCC(NC(C)CCO)C(=O)O 692326f0d860bb08523dc24535cabc84 [0,2,0,0,0,0|0,0,2]=4 2180 B13R0.1306 CSCC[C@@H](NC(=O)NC#N)C(=O)O 499c7476da0238f7655da92aa7a9670e [0,2,0,0,0,0|0,0,1]=3 2181 B13R0.1306 CSCC[C@@H](NC(=S)NC#N)C(=O)O 8e0c4b59f9ebbcdb8356f34becf10547 [0,2,0,0,0,0|0,1,1]=4 2182 B13R0.1306 CSCC[C@@H](NC(C)CC#N)C(=O)O e3dad6c7adc3516e5c95eef231df9466 [0,2,0,0,0,0|1,0,1]=4 2183 B13R0.1306 CSCC[C@@H](NC(C)CCO)C(=O)O 77ae030cba897f07daa8bef5d496f2c2 [0,2,0,0,0,0|0,0,2]=4 2184 B13R0.1306 CSCC[C@H](NC(=O)/C=C/Br)C(=O)N 6f8b17ff1884970f54957a07f6d45dcd [0,2,0,0,0,0|1,0,1]=4 2185 B13R0.1306 CSCC[C@H](NC(=O)/C=C/Cl)C(=O)N 40c7a6f4ca4a11636b00d97ad3b13012 [0,2,0,0,0,0|1,0,1]=4 2186 B13R0.1306 CSCC[C@H](NC(=O)/C=C/I)C(=O)N 2229cda41e3310e48974bcfec31ecbbb [0,2,0,0,0,0|1,0,1]=4 2187 B13R0.1306 CSCC[C@H](NC(=O)/C=C\Br)C(=O)N 87b7d97f98e7e146fc76fabf5a749bd8 [0,2,0,0,0,0|1,0,1]=4 2188 B13R0.1306 CSCC[C@H](NC(=O)/C=C\Cl)C(=O)N fe88be48a30e785deb12d14d8c8444df [0,2,0,0,0,0|1,0,1]=4 2189 B13R0.1306 CSCC[C@H](NC(=O)/C=C\I)C(=O)N 679d26a2222affda2d78ede28b8ec22e [0,2,0,0,0,0|1,0,1]=4 2190 B13R0.1306 CSCC[C@H](NC(=O)C#CBr)C(=O)N 423088ac8217f52ff3ad56bc6781a7c1 [0,2,0,0,0,0|1,0,1]=4 2191 B13R0.1306 CSCC[C@H](NC(=O)C=CBr)C(=O)N eb02507e180a3a7d121d43ac0f28056f [0,2,0,0,0,0|1,0,1]=4 2192 B13R0.1306 CSCC[C@H](NC(=O)C=CI)C(=O)N abe2225d9ac52dbb849553e8a59db72e [0,2,0,0,0,0|1,0,1]=4 2193 B13R0.1306 CSCC[C@H](NC(=O)CC#N)C(=O)N 210132e1189de435e666480aa5858778 [0,2,0,0,0,0|1,0,0]=3 2194 B13R0.1306 CSCC[C@H](NC(=O)CC=O)C(=O)N 2d6ac7e4cdb9ce93ec746d23df3dab88 [0,2,0,0,0,0|1,0,0]=3 2195 B13R0.1306 CSCC[C@H](NC(=O)CCF)C(=O)N e29b988b9373dc7bcbb162c4e387f571 [0,2,0,0,0,0|1,0,0]=3 2196 B13R0.1306 CSCC[C@H](NC(=O)CCO)C(=O)N c35b5fa986867e749a1c8fba8c0fbc64 [0,2,0,0,0,0|1,0,0]=3 2197 B13R0.1306 CSCC[C@H](NC(=O)CCS)C(=O)N 2bee76d82d9860be42bab48c18261127 [0,2,0,0,0,0|1,0,0]=3 2198 B13R0.1306 CSCC[C@H](NC(=O)CON)C(=O)N 115299c5306ca59dbd79a210937aba35 [0,2,0,0,0,0|1,0,0]=3 2199 B13R0.1306 CSCC[C@H](NC(=O)CSC)C(=O)N dd82772686fdcd5b15992ebba88920b2 [0,2,0,0,0,0|1,0,0]=3 2200 B13R0.1306 CSCC[C@H](NC(=O)NC#N)C(=O)O 8c37f2e2bf18146c3bccd3cdb2529aa0 [0,2,0,0,0,0|0,0,1]=3 2201 B13R0.1306 CSCC[C@H](NC(=S)NC#N)C(=O)O 829ca4bcac0f06dd832027288eadbd46 [0,2,0,0,0,0|0,1,1]=4 2202 B13R0.1306 CSCC[C@H](NC(C)CC#N)C(=O)O 7601098a45136f6ae899d4e43e8872ba [0,2,0,0,0,0|1,0,1]=4 2203 B13R0.1306 CSCC[C@H](NC(C)CCO)C(=O)O 1d9ee12d3c15359215fda951728eff1b [0,2,0,0,0,0|0,0,2]=4 2204 B13R0.1642 C=CC(C)N[C@@](C)(CCSC)C(=O)O 99cce12e72d8d666dab725b591a626e9 [0,2,0,0,0,0|1,0,1]=4 2205 B13R0.1642 CCC(C)N[C@@](C)(CCSC)C(=O)O 53315ecdc96eb940c0b855c26c7667df [0,2,0,0,0,0|1,0,1]=4 2206 B13R0.1642 CSCC[C@](C)(NC(C)C=O)C(=O)O 1a5c1cc763bdf2a612681f4f44a5e817 [0,2,0,0,0,0|0,0,1]=3 2207 B13R0.1642 CSCC[C@](C)(NC(C)CO)C(=O)O a234d153d4af19298f36d11201263d80 [0,2,0,0,0,0|0,0,2]=4 2208 B13R0.1642 CSCC[C@](C)(N[C@@H](C)CO)C(=O)O b1218974089cd3027b3f58b8f2150061 [0,2,0,0,0,0|0,0,2]=4 2209 B13R0.1642 CSCC[C@](C)(N[C@H](C)C=O)C(=O)O 9107a2cde346894aa94e441e39dc83ce [0,2,0,0,0,0|0,0,1]=3 2210 B13R0.1642 CSCC[C@](C)(N[C@H](C)CO)C(=O)O 1a94728be68c7ad038581a84cb3e217e [0,2,0,0,0,0|0,0,2]=4 2211 B13R0.253 COC(=O)C(COC(C)C)NC(=O)C 94e8e80ba8c94b49e0eda6757a5dade6 [0,2,0,0,0,0|2,0,0]=4 2212 B13R0.253 COC(=O)[C@H](COC(C)C)NC(=O)C 55828dfc40003fc2229d6aa3b95f93b6 [0,2,0,0,0,0|2,0,0]=4 2213 B13R0.613 CC(=O)NC(CN(C)C(C)C)C(=O)O ca3103ed1f32b50324d589d7584e0d32 [0,2,0,0,0,0|2,0,0]=4 2214 B13R0.613 CC(=O)N[C@@H](CN(C)C(C)C)C(=O)O 147a8f913848daeb19ffc4eb652e5b46 [0,2,0,0,0,0|2,0,0]=4 2215 B13R0.613 CC(=O)N[C@H](CN(C)C(C)C)C(=O)O 4927ec6bbbc464103f591bed853b2d1b [0,2,0,0,0,0|2,0,0]=4 2216 B13R0.630 CC(=O)N[C@@H](CNC(C)(C)C)C(=O)O 461db4dea1931049de1a7d8b34599437 [0,2,0,0,0,0|2,0,0]=4 2217 B13R0.630 CC(=O)N[C@H](CNC(C)(C)C)C(=O)O 315ed4951b88b9d8fa90f64db55337ea [0,2,0,0,0,0|2,0,0]=4 2218 B13R0.200 CCN(C)CC(NC(=O)C)C(=O)OC ce863ed069172686d538c0510d799c66 [0,2,0,0,0,0|2,0,0]=4 2219 B13R0.200 CCN(C)C[C@H](NC(=O)C)C(=O)OC 72c7d1e564c54dc6d0260e284ab8bd45 [0,2,0,0,0,0|2,0,0]=4 2220 B13R0.159 C=CCCC(NC(=O)C)C(=O)OCC 2869b3bb0e38d72a01df07b3fe13d92a [0,2,0,0,0,0|1,0,1]=4 2221 B13R0.159 CCCCC(NC(=O)C)C(=O)NC#N 6981f83396bb0967282be5845f1a28ae [0,2,0,0,0,0|2,0,0]=4 2222 B13R0.159 CCCC[C@@H](NC(=O)C)C(=O)NC#N e80ad36af5abd741fd51356e42f2c51c [0,2,0,0,0,0|2,0,0]=4 2223 B13R0.159 CCCC[C@H](NC(=O)C)C(=O)NC#N 38988df5abf291e0efec9e2cbcbd3372 [0,2,0,0,0,0|2,0,0]=4 2224 B13R0.159 CCCOC(NC(=O)C)C(=O)OCC 998ae40489a0ecc502785f5b23786852 [0,2,0,0,0,0|2,0,0]=4 2225 B13R0.159 CCOC(=O)C(NC(=O)C)OCOC 0ffefd07719ad0cde22f5e2038d67633 [0,2,0,0,0,0|1,1,0]=4 2226 B13R0.159 CCOC(=O)C(NC(=O)C)OCSC e6eacc5af50c98d430480b54050e6fbb [0,2,0,0,0,0|1,0,0]=3 2227 B13R0.159 CSCCC(NC(=O)C)C(=O)NC#N b38cc9cbf97e11f8b2c1f82ea3bb2f5a [0,2,0,0,0,0|1,0,0]=3 2228 B13R0.159 CSCCC(NC(=O)N)C(=O)NC#N c74c5905aeb26b2cd7934e0db66bed5f [0,2,0,0,0,0|2,0,0]=4 2229 B13R0.159 CSCC[C@@H](NC(=O)C)C(=O)NC#N 5c8813a23dda15b60615798198ce89a8 [0,2,0,0,0,0|1,0,0]=3 2230 B13R0.159 CSCC[C@H](NC(=O)C)C(=O)NC#N 248ec5f3414cfd03ca947063a91cf24f [0,2,0,0,0,0|1,0,0]=3 2231 B13R0.159 CSCC[C@H](NC(=O)N)C(=O)NC#N 2e857e3d333ba4a61a4056bcc02b31bc [0,2,0,0,0,0|2,0,0]=4 2232 B11R1.49 CCN1CC(=O)C[C@@H]1C(=O)O 595159ac670d3ac4fb6e555c3d0c5d6e [1,0,0,1,0,0|2,0,0]=4 2233 B11R1.49 CCN1CC(=O)C[C@H]1C(=O)O e93a971333f8c0f03e40ad63c74beec8 [1,0,0,1,0,0|2,0,0]=4 2234 B11R1.86 CC(=O)NC1CCCCC1O bc79a4a57827afa3a4fa640017043055 [1,0,0,1,0,0|1,0,1]=4 2235 B11R1.86 CC(=O)NC1CCCNC1=O 30fe4880dd193b9f9946d2a31d533b7e [1,0,0,1,0,0|1,0,0]=3 2236 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1O db67c1bdd3ca05ff8229e30fa13e50d9 [1,0,0,1,0,0|1,0,1]=4 2237 B11R1.86 CC(=O)N[C@@H]1CCCNC1=O 53da49ae1dae7a05a99f36bb4616f1e2 [1,0,0,1,0,0|1,0,0]=3 2238 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1O cd06a0c7fdec32c28b7b1670c804df5a [1,0,0,1,0,0|1,0,1]=4 2239 B11R1.86 CC(=O)N[C@H]1CCCC[C@H]1O 3d7a6b45c93e0f7c67e70ae3e747c43c [1,0,0,1,0,0|1,0,1]=4 2240 B11R1.86 CC(=O)N[C@H]1CCCNC1=O a2c0f773932cb3bec301f87f047199a8 [1,0,0,1,0,0|1,0,0]=3 2241 B11R1.108 CC(C)N1[C@@H](C[C@H]1C(=O)O)C b532117ec759b713edbffec0b683d591 [1,0,0,1,0,0|1,0,1]=4 2242 B11R1.108 CC(C)N1[C@H](C[C@H]1C(=O)O)C 04caf581d599ec8eb8f0394b7d22bc6a [1,0,0,1,0,0|1,0,1]=4 2243 B11R1.178 CC(=O)N1CCCC1C(=O)N 65cddadaaf8b5687deba156c2b4039c3 [1,0,0,1,0,0|1,0,0]=3 2244 B11R1.178 CC(=O)N1CCCC1C(C)O 9f8e94851b1373bc70952c43a1f4d7dd [1,0,0,1,0,0|1,0,1]=4 2245 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)N 4089b5e09bd21db9789bb6b808368267 [1,0,0,1,0,0|1,0,0]=3 2246 B11R1.178 CC(=O)N1CCC[C@@H]1C(C)O b6a441c711cebecc18681a5553488a28 [1,0,0,1,0,0|1,0,1]=4 2247 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 9993ea56215caea89e174b2ea246bd69 [1,0,0,1,0,0|1,0,0]=3 2248 B11R1.178 CC(=O)N1CCC[C@H]1[C@H](C)O d5e83cec14aa1ac18979f6a5e58e48e1 [1,0,0,1,0,0|1,0,1]=4 2249 B11R1.178 CC(C)N1CCCC1C(=O)O dca2facd5d723d340de769a76483186c [1,0,0,1,0,0|1,0,1]=4 2250 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O 5f937897216410dc2051de69b28f3c79 [1,0,0,1,0,0|1,0,1]=4 2251 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 481938a3ddc2dbb397617125e3724a6f [1,0,0,1,0,0|1,0,1]=4 2252 B11R1.234 CC(=O)NC1CCCC1(C)O 50eba4a2a50b10ff405e1bfc79290142 [1,0,0,1,0,0|1,0,1]=4 2253 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O a4c092125a8d95704297a3706fd2a41b [1,0,0,1,0,0|1,0,1]=4 2254 B11R1.234 CC(=O)N[C@H]1CCC[C@]1(C)O a48953122923c9d75a9ad10e7cea04d4 [1,0,0,1,0,0|1,0,1]=4 2255 B11R1.806 CCCC(NC1CC1)C(=O)O 6cc565d75f070b327fd2cab6cd3e16d3 [1,0,0,1,0,0|1,0,1]=4 2256 B11R1.806 CCC[C@@H](NC1CC1)C(=O)O 957e985d2dd6de24e4e133ab8858e4ff [1,0,0,1,0,0|1,0,1]=4 2257 B11R1.806 CCC[C@H](NC1CC1)C(=O)O 8bc1de672d84fe0ddb8fca24a7747066 [1,0,0,1,0,0|1,0,1]=4 2258 B11R1.806 CSCC(NC1CC1)C(=O)O a28b2889690147f0c31812cadba677e3 [1,0,0,1,0,0|1,0,1]=4 2259 B11R1.806 CSC[C@@H](NC1CC1)C(=O)O c2f0bf4916c16ea6daeaa49ff562ba1d [1,0,0,1,0,0|1,0,1]=4 2260 B11R1.806 CSC[C@H](NC1CC1)C(=O)O f5e0872fdf0b4efa33514d068ddf0bbc [1,0,0,1,0,0|1,0,1]=4 2261 B11R1.806 O=C(O)C(CCS)NC1CC1 5dccf15d403753782ca72b9d736ae354 [1,0,0,1,0,0|1,0,1]=4 2262 B11R1.806 O=C(O)[C@@H](CCS)NC1CC1 1788035dfd1aaf7f01469d23891602fe [1,0,0,1,0,0|1,0,1]=4 2263 B11R1.806 O=C(O)[C@H](CCS)NC1CC1 7b0c35a26ddcc250dd8abeab1a78d5b9 [1,0,0,1,0,0|1,0,1]=4 2264 B11R1.925 CC(=O)NC(C(=O)N)C1CC1 6178521e2e24fb8557a5ce0acde38382 [1,0,0,1,0,0|1,0,0]=3 2265 B11R1.925 CC(=O)N[C@@H](C(=O)N)C1CC1 2f57dad305a61805d12f51042c256f3e [1,0,0,1,0,0|1,0,0]=3 2266 B11R1.925 CC(=O)N[C@H](C(=O)N)C1CC1 59aedc20b71cee7cac2b484808ac1fba [1,0,0,1,0,0|1,0,0]=3 2267 B11R1.925 CC(C)NC(C(=O)O)C1CC1 217727cb48bb5ccb6eff2ea4e8a7766d [1,0,0,1,0,0|1,0,1]=4 2268 B11R1.925 CC(C)N[C@@H](C(=O)O)C1CC1 805d77ee0a0de452caecd7d25b46604c [1,0,0,1,0,0|1,0,1]=4 2269 B11R1.925 CC(C)N[C@H](C(=O)O)C1CC1 0a0426748147e568e3ea00e0b5d023d4 [1,0,0,1,0,0|1,0,1]=4 2270 B11R1.929 CC(=O)NC1(CCC1)C(=O)N ef133445a6a255d9c17beb981357894e [1,0,0,1,0,0|1,0,0]=3 2271 B11R1.929 CC(=O)NC1(CCC1)C(=S)N 4e2880c46961fdf067803606809c2b84 [1,0,0,1,0,0|1,1,0]=4 2272 B11R1.929 CC(C)NC1(CCC1)C(=O)O e53085d2d81b19ec6229f1f64540a55b [1,0,0,1,0,0|1,0,1]=4 2273 B11R1.53 CC(=O)N1CCCCC1C=O 1e508aada5a544ca995ccc3fdcbb7586 [1,0,0,1,0,0|1,0,0]=3 2274 B11R1.53 CC(=O)N1CCCCC1CO 6e3fc41016db309df2c9bb6835832274 [1,0,0,1,0,0|1,0,1]=4 2275 B11R1.53 CC(=O)N1CCCC[C@@H]1CO 2d3b59cb82f776a44221fbfec3df07e6 [1,0,0,1,0,0|1,0,1]=4 2276 B11R1.53 CC(=O)N1CCCC[C@H]1CO 26d38e9d210a63947a2c7fdbfa974003 [1,0,0,1,0,0|1,0,1]=4 2277 B11R1.751 CC(=O)N[C@H](CO)C1CCC1 f66bab63bbb3291ce2482f70976a372b [1,0,0,1,0,0|1,0,1]=4 2278 B11R1.5 O=CNC1CCCCNC1=O c98b2e9ccd89d7d68384775f02247b47 [1,0,0,1,0,0|2,0,0]=4 2279 B11R1.5 O=CN[C@@H]1CCCCNC1=O 815160869e8acbfa55d5fda13c34e2e7 [1,0,0,1,0,0|2,0,0]=4 2280 B11R1.5 O=CN[C@H]1CCCCNC1=O 251309dfd679bd353b3fc26d7c34eab1 [1,0,0,1,0,0|2,0,0]=4 2281 B11R1.193 CSCN1CC=CC1C(=O)O fb6414e4a700e27428b5acf0307054b4 [1,0,0,1,0,0|2,0,0]=4 2282 B11R1.193 CSCN1CC=C[C@H]1C(=O)O c6d6a0044058c4871d9a41ce1d053309 [1,0,0,1,0,0|2,0,0]=4 2283 B11R1.760 CCNC(C(=O)O)C1CCC1 a9e84d5cd0bad4e3fa2e46d8adfd9cac [1,0,0,1,0,0|1,0,1]=4 2284 B11R1.760 CCNC(C(=O)O)C1COC1 68edd3d0b5c9fca0ebff08e3cd1b8667 [1,0,0,1,0,0|0,1,1]=4 2285 B11R1.760 CCN[C@@H](C(=O)O)C1CCC1 7b75a84df46547fca0b2a0701b090107 [1,0,0,1,0,0|1,0,1]=4 2286 B11R1.760 CCN[C@@H](C(=O)O)C1COC1 d5bb0501d4631393a39108016d6cac7a [1,0,0,1,0,0|0,1,1]=4 2287 B11R1.760 CCN[C@H](C(=O)O)C1CCC1 59c291c1e854f7e64b0dd8c37c950a1d [1,0,0,1,0,0|1,0,1]=4 2288 B11R1.760 CCN[C@H](C(=O)O)C1COC1 f678ce540ac931323c817dd7a30996ca [1,0,0,1,0,0|0,1,1]=4 2289 B11R1.1239 CCNC1(CCCC1)C(=O)O 7853b17a8186cd50faeab1383bcf7d07 [1,0,0,1,0,0|1,0,1]=4 2290 B11R1.1239 CCNC1(CCOC1)C(=O)O 15e917df167a5b514aef712f85f6f31a [1,0,0,1,0,0|0,1,1]=4 2291 B11R1.1239 CCNC1(CCSC1)C(=O)O 41a0ee4812c3cf923c770ec585322e39 [1,0,0,1,0,0|0,0,1]=3 2292 B11R1.1239 CCN[C@@]1(CCOC1)C(=O)O 3afd944786837190fa4818d7cfd40e28 [1,0,0,1,0,0|0,1,1]=4 2293 B11R1.1239 CCN[C@]1(CCOC1)C(=O)O fa233e9054306f17937a9fec2ae59f62 [1,0,0,1,0,0|0,1,1]=4 2294 B11R1.1239 NC(=O)C1(CCCC1)NC=O c8881ed799ff3b476ca05a8600e2e47f [1,0,0,1,0,0|2,0,0]=4 2295 B11R1.1239 O=C(O)C1(CCSC1)NCF cf39ffd4c13c7c41acc4d61077751b1c [1,0,0,1,0,0|1,0,1]=4 2296 B11R1.1239 O=C(O)C1(CCSC1)NCO 3fae1dc2d5c31d9670e750b45d12912c [1,0,0,1,0,0|0,0,2]=4 2297 B13R1.13 CC(=O)N1CC(CCC1C)C(=O)N 79ba3902d9acd1a67954dc1def882a8f [0,0,0,1,0,1|2,0,0]=4 2298 B13R1.280 CC(=O)CNC1CCCCCC1=O 0cfb55676068011481ff22f04b296430 [0,0,0,1,0,1|2,0,0]=4 2299 B13R1.280 CC(=O)CNC1CCCCNC1=O 91ef7bded84d889442d8c5fca55d0869 [0,0,0,1,0,1|2,0,0]=4 2300 B13R1.356 CCCN1CC(=O)NCC1C(=O)O 2f966a23be06a140dcec0441d487bacc [0,0,0,1,0,1|2,0,0]=4 2301 B13R1.356 CCCN1CC(=O)NC[C@@H]1C(=O)O b777c5adb997be8c5ae722486fb03abd [0,0,0,1,0,1|2,0,0]=4 2302 B13R1.356 CCCN1CC(=O)NC[C@H]1C(=O)O 515d8f97ac597612b091850288776269 [0,0,0,1,0,1|2,0,0]=4 2303 B13R1.356 COCN1CC(=O)NCC1C(=O)O 3a3cef6a20ad3a0c3f20c61420733602 [0,0,0,1,0,1|1,1,0]=4 2304 B13R1.356 COCN1CC(=O)NC[C@@H]1C(=O)O 9bed3fef06edc6fabe3ee6d134ff05ed [0,0,0,1,0,1|1,1,0]=4 2305 B13R1.356 COCN1CC(=O)NC[C@H]1C(=O)O 318866202c9994694116c508e739267d [0,0,0,1,0,1|1,1,0]=4 2306 B13R1.356 CSCN1CC(=O)NCC1C(=O)O 9b35cc8014bb5b017f1f51dc78c7737d [0,0,0,1,0,1|1,0,0]=3 2307 B13R1.356 CSCN1CC(=O)NC[C@@H]1C(=O)O 38c03e4448113fb65924186a2ff2f328 [0,0,0,1,0,1|1,0,0]=3 2308 B13R1.356 CSCN1CC(=O)NC[C@H]1C(=O)O 3799c3291dc7b95810c028c0cd31b45b [0,0,0,1,0,1|1,0,0]=3 2309 B13R1.589 C=C(C)CN1CCCCC1C(=O)O b1376d5571063975a38675047b419f3f [0,0,0,1,0,1|2,0,0]=4 2310 B13R1.589 C=C(C)CN1CCCC[C@@H]1C(=O)O 4e31efe70feb9b4de281125098caa965 [0,0,0,1,0,1|2,0,0]=4 2311 B13R1.589 C=C(C)CN1CCCC[C@H]1C(=O)O 58d84d7d2b46db27cc8e96cbc777150a [0,0,0,1,0,1|2,0,0]=4 2312 B13R1.589 CC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N 08910bbffcd7c5d93563256179e9c2d9 [0,0,0,1,0,1|2,0,0]=4 2313 B13R1.589 CC(=O)N[C@@H]1CCCC[C@H]1C(=O)N a95ed96d8b8f74a55ef1fb812705b8df [0,0,0,1,0,1|2,0,0]=4 2314 B13R1.589 CC(=O)N[C@H]1CCCC[C@@H]1C(=O)N d7406322b22df2d5349516dfd7efd669 [0,0,0,1,0,1|2,0,0]=4 2315 B13R1.589 CC(=O)N[C@H]1CCCC[C@H]1C(=O)N 267a652d2844559e35a0286c30a2b2a8 [0,0,0,1,0,1|2,0,0]=4 2316 B13R1.589 NC(=O)CN1CCCCC1C(=O)O 25c35a839462cb7a8b99adfa741e5141 [0,0,0,1,0,1|2,0,0]=4 2317 B13R1.589 NC(=O)CN1CCCC[C@@H]1C(=O)O 295395dd7b0b365b36a6e82839cdf183 [0,0,0,1,0,1|2,0,0]=4 2318 B13R1.589 NC(=O)CN1CCCC[C@H]1C(=O)O b57b7d6efc907714477cb6a938800bba [0,0,0,1,0,1|2,0,0]=4 2319 B13R1.589 O=C(O)CN1CCCCC1C(=O)O aa5e0ce01a057c187554b7faf48b7a88 [0,0,0,1,0,1|2,0,0]=4 2320 B13R1.589 O=C(O)CN1CCCC[C@@H]1C(=O)O d8476511ba0a7647966347ae25106f14 [0,0,0,1,0,1|2,0,0]=4 2321 B13R1.589 O=C(O)CN1CCCC[C@H]1C(=O)O 4784a5ff2bd5fe8f1f89ef9a18646cab [0,0,0,1,0,1|2,0,0]=4 2322 B13R1.3583 CSCCC(NCC1CC1)C(=O)O 8d8fcdc1147fff3ce506a3cd700717dc [0,0,0,1,0,1|1,0,1]=4 2323 B13R1.3583 CSCC[C@@H](NCC1CC1)C(=O)O b6d954ab2ce185e0f869480ed4fd1335 [0,0,0,1,0,1|1,0,1]=4 2324 B13R1.3583 CSCC[C@H](NCC1CC1)C(=O)O f3cd78be766f3a65ab2ba06276487b3e [0,0,0,1,0,1|1,0,1]=4 2325 B13R1.5191 C=C(C)CNC(CC1CC1)C(=O)O 90cf693beff61a96a3fd38f7fa04afa2 [0,0,0,1,0,1|2,0,0]=4 2326 B13R1.5191 C=C(C)CN[C@@H](CC1CC1)C(=O)O 3184eb317ad2f7a4e5e5621d6e1242bb [0,0,0,1,0,1|2,0,0]=4 2327 B13R1.5191 C=C(C)CN[C@H](CC1CC1)C(=O)O f3be69e536847d10500f80c9bd5f685f [0,0,0,1,0,1|2,0,0]=4 2328 B13R1.5191 NC(=O)CNC(CC1CC1)C(=O)O 11294488384aaa25421177a9977b12c1 [0,0,0,1,0,1|2,0,0]=4 2329 B13R1.5191 NC(=O)CN[C@@H](CC1CC1)C(=O)O 4bb219948a2a11e58f093add9f01ceb0 [0,0,0,1,0,1|2,0,0]=4 2330 B13R1.5191 NC(=O)CN[C@H](CC1CC1)C(=O)O 47ea4e38dae19df9c232f8623ee27efb [0,0,0,1,0,1|2,0,0]=4 2331 B13R1.5191 O=C(O)CNC(CC1CC1)C(=O)O b748205f7ffd8ad01f829dc4983da5e3 [0,0,0,1,0,1|2,0,0]=4 2332 B13R1.5191 O=C(O)CN[C@@H](CC1CC1)C(=O)O c0d866a7956d24c2c7b715737549c617 [0,0,0,1,0,1|2,0,0]=4 2333 B13R1.5191 O=C(O)CN[C@H](CC1CC1)C(=O)O b683782088649009a6c451d7ad863ac4 [0,0,0,1,0,1|2,0,0]=4 2334 B13R1.7749 C=C(C)CNC(C(=O)O)C1CCC1 fb1e60ec4c8f36f270a1941bcfc07836 [0,0,0,1,0,1|2,0,0]=4 2335 B13R1.7749 C=C(C)CNC(C(=O)O)C1COC1 34715ab48a4aa6a1589aa7168ea562f9 [0,0,0,1,0,1|1,1,0]=4 2336 B13R1.7749 C=C(C)CN[C@@H](C(=O)O)C1CCC1 ba25b061daddd4c8eccd4c8390680274 [0,0,0,1,0,1|2,0,0]=4 2337 B13R1.7749 C=C(C)CN[C@@H](C(=O)O)C1COC1 e737daad84258aafa87aca90f3443a32 [0,0,0,1,0,1|1,1,0]=4 2338 B13R1.7749 C=C(C)CN[C@H](C(=O)O)C1CCC1 17cab6676619c74b26ddac065bd3ba3a [0,0,0,1,0,1|2,0,0]=4 2339 B13R1.7749 C=C(C)CN[C@H](C(=O)O)C1COC1 c6f4f73d6ad47f5d5cb7b807b9a456cd [0,0,0,1,0,1|1,1,0]=4 2340 B13R1.7749 CC(=O)CNC(C(=O)O)C1CCC1 b81fb4cd2667638cdfdda9a69b1cd04c [0,0,0,1,0,1|1,0,0]=3 2341 B13R1.7749 NC(=O)CNC(C(=O)O)C1CCC1 37d6639cb88968cb0617a22b217f1876 [0,0,0,1,0,1|2,0,0]=4 2342 B13R1.7749 NC(=O)CNC(C(=O)O)C1COC1 cb8801d1f251bc8dedd917e9f7a8ae23 [0,0,0,1,0,1|1,1,0]=4 2343 B13R1.7749 NC(=O)CN[C@@H](C(=O)O)C1CCC1 7c573eb50044b21586e94db24cfd5f9f [0,0,0,1,0,1|2,0,0]=4 2344 B13R1.7749 NC(=O)CN[C@@H](C(=O)O)C1COC1 8a0db0a0dc3b4996343bd6aeb6e09102 [0,0,0,1,0,1|1,1,0]=4 2345 B13R1.7749 NC(=O)CN[C@H](C(=O)O)C1CCC1 b6e0d6b62248700bdfd3b28267847f90 [0,0,0,1,0,1|2,0,0]=4 2346 B13R1.7749 NC(=O)CN[C@H](C(=O)O)C1COC1 e15323a03d7b132e33eaf826a06736b5 [0,0,0,1,0,1|1,1,0]=4 2347 B13R1.7749 O=C(O)CNC(C(=O)O)C1CCC1 6e034923ff86c877f8fdf1504581073a [0,0,0,1,0,1|2,0,0]=4 2348 B13R1.7749 O=C(O)CNC(C(=O)O)C1COC1 742da84bd0bc863c50bad65de5786022 [0,0,0,1,0,1|1,1,0]=4 2349 B13R1.7749 O=C(O)CN[C@@H](C(=O)O)C1CCC1 1c33e534c87939f75fcac14719ecad8d [0,0,0,1,0,1|2,0,0]=4 2350 B13R1.7749 O=C(O)CN[C@@H](C(=O)O)C1COC1 c27588b60466c1931288587bcfe3530f [0,0,0,1,0,1|1,1,0]=4 2351 B13R1.7749 O=C(O)CN[C@H](C(=O)O)C1CCC1 9388fea7e4473585a5ff1d660b1e8ecf [0,0,0,1,0,1|2,0,0]=4 2352 B13R1.7749 O=C(O)CN[C@H](C(=O)O)C1COC1 c39306cdbd4ef0255ff6e15ccfd5a90b [0,0,0,1,0,1|1,1,0]=4 2353 B13R1.8685 C=C(Br)CNC1(CCSC1)C(=O)O d39ee3bcedaa0800bf2657c1a29d793f [0,0,0,1,0,1|1,0,1]=4 2354 B13R1.8685 C=C(C)CNC1(CCCC1)C(=O)O 05ed75a8d753bc8fcf3354cd93e5be7f [0,0,0,1,0,1|2,0,0]=4 2355 B13R1.8685 C=C(C)CNC1(CCOC1)C(=O)O e46e63bb6836604618595df51fd43f35 [0,0,0,1,0,1|1,1,0]=4 2356 B13R1.8685 C=C(C)CNC1(CCSC1)C(=O)O d529f8fe232493cf9d55b9cfed368a4b [0,0,0,1,0,1|1,0,0]=3 2357 B13R1.8685 C=C(C)CN[C@@]1(CCOC1)C(=O)O 25076f989e46efed0586e87981d938b3 [0,0,0,1,0,1|1,1,0]=4 2358 B13R1.8685 C=C(C)CN[C@]1(CCOC1)C(=O)O ad2da2220be7a81da9e0236963b98534 [0,0,0,1,0,1|1,1,0]=4 2359 B13R1.8685 CC(C)CNC1(CCSC1)C(=O)O 3fda4fa6ea1cd9b816b589820100ada8 [0,0,0,1,0,1|1,0,1]=4 2360 B13R1.8685 CC(O)CNC1(CCSC1)C(=O)O ccaf8ec02003b515aa1e12367d3d151a [0,0,0,1,0,1|0,0,2]=4 2361 B13R1.8685 C[C@@H](O)CNC1(CCSC1)C(=O)O cdaba570df343b9aab3b4791f90d7b4a [0,0,0,1,0,1|0,0,2]=4 2362 B13R1.8685 C[C@H](O)CNC1(CCSC1)C(=O)O 84a3595ab2373c41bf1f58344e37bf63 [0,0,0,1,0,1|0,0,2]=4 2363 B13R1.8685 NC(=O)CNC1(CCCC1)C(=O)O 9503674ee3067305fdba523793f3cf64 [0,0,0,1,0,1|2,0,0]=4 2364 B13R1.8685 NC(=O)CNC1(CCOC1)C(=O)O c85d1e588f26595342e52ee5359f01c3 [0,0,0,1,0,1|1,1,0]=4 2365 B13R1.8685 NC(=O)CNC1(CCSC1)C(=O)O 546495fb4f290604f103531481f648c6 [0,0,0,1,0,1|1,0,0]=3 2366 B13R1.8685 NC(=O)CN[C@@]1(CCOC1)C(=O)O cb31d4173e58fdb1185497735fa0fda1 [0,0,0,1,0,1|1,1,0]=4 2367 B13R1.8685 NC(=O)CN[C@]1(CCOC1)C(=O)O 8c0ed89bea3322fb8cefc99ebcc513fa [0,0,0,1,0,1|1,1,0]=4 2368 B13R1.8685 O=C(O)C1(CCSC1)NC[N+](=O)[O-] bf97629ca6be42def139e1c684497837 [0,0,0,1,0,1|2,0,0]=4 2369 B13R1.8685 O=C(O)CNC1(CCCC1)C(=O)O b40d852c864b22d1f32d210047ac1d7d [0,0,0,1,0,1|2,0,0]=4 2370 B13R1.8685 O=C(O)CNC1(CCOC1)C(=O)O 768ea78595660bedc3e7abe66d5af26c [0,0,0,1,0,1|1,1,0]=4 2371 B13R1.8685 O=C(O)CNC1(CCSC1)C(=O)O db6e1bcd6565a8a205ae2136d9a4285f [0,0,0,1,0,1|1,0,0]=3 2372 B13R1.8685 O=C(O)CN[C@@]1(CCOC1)C(=O)O 0570441b6f8e0aa34d461429b2a8545b [0,0,0,1,0,1|1,1,0]=4 2373 B13R1.8685 O=C(O)CN[C@]1(CCOC1)C(=O)O 930ed917f4174b8e337743f8fe6de6fe [0,0,0,1,0,1|1,1,0]=4 2374 B13R1.564 CSCCN1CC(=O)C[C@@H]1C(=O)O 8c5a3e86c90e5167ec1a927c9afc55fe [0,0,0,1,0,1|2,0,0]=4 2375 B13R1.564 CSCCN1CC(=O)C[C@H]1C(=O)O 851d2ea29de962f361d867146bffa281 [0,0,0,1,0,1|2,0,0]=4 2376 B13R1.3607 CSCCC(CC(=O)O)NC1CC1 64aa921b8529ce1a2f28ac20c03ebcc8 [0,0,0,1,0,1|1,0,1]=4 2377 B13R1.3607 CSCC[C@@H](CC(=O)O)NC1CC1 b399c5a1c197a20a0a5e97d27b2769c8 [0,0,0,1,0,1|1,0,1]=4 2378 B13R1.3607 CSCC[C@H](CC(=O)O)NC1CC1 b84d35819366e3b595228e07ab0459e7 [0,0,0,1,0,1|1,0,1]=4 2379 B13R1.295 CC(=O)N1CCC[C@H]([C@H]1C(=O)N)C 0ec4cda5e2b6d66455703ba22fdf2b6e [0,1,0,1,0,0|2,0,0]=4 2380 B13R1.1113 O=C(O)CC(C(=O)O)N1CCSC1 eb9e8936677ee59457cfee805c653a26 [0,1,0,1,0,0|2,0,0]=4 2381 B13R1.1113 O=C(O)C[C@@H](C(=O)O)N1CCSC1 509bbcddc4ccb71755867d8140593695 [0,1,0,1,0,0|2,0,0]=4 2382 B13R1.1113 O=C(O)C[C@H](C(=O)O)N1CCSC1 1346850de884cec9625e9609e5f986e9 [0,1,0,1,0,0|2,0,0]=4 2383 B13R1.31 C#CCN1CC(=O)NC(C1)C(=O)O 4e0d3c53fc2603881d28ecd479bb1d8f [0,1,0,1,0,0|1,0,1]=4 2384 B13R1.31 C=CCN1CC(=O)NC(C1)C(=O)O 174ca7ce361478cb90d6ec7c5b050500 [0,1,0,1,0,0|1,0,1]=4 2385 B13R1.31 CCCN1CC(=O)NC(C1)C(=O)O 0533dce1e5c6d8d176e4b3d7b6f669d4 [0,1,0,1,0,0|1,0,0]=3 2386 B13R1.31 COCN1CC(=O)NC(C1)C(=O)O 88381519fdef0d6c1302aaf31d77a4e0 [0,1,0,1,0,0|0,1,0]=3 2387 B13R1.31 CSCN1CC(=O)NC(C1)C(=O)O aec8f0a894feea4fd6e43936825ad553 [0,1,0,1,0,0|0,0,0]=2 2388 B13R1.31 N#CCN1CC(=O)NC(C1)C(=O)O fbfa0ae90799ea8ab81a0302a3b1e85c [0,1,0,1,0,0|2,0,0]=4 2389 B13R1.31 O=C1CN(CC(N1)C(=O)O)CCF f502894976a644eded09d6dbc4d09648 [0,1,0,1,0,0|2,0,0]=4 2390 B13R1.31 O=C1CN(CC(N1)C(=O)O)CCO 038dfc876c8f2cda2416a99c46a8fd21 [0,1,0,1,0,0|2,0,0]=4 2391 B13R1.31 O=C1CN(CC(N1)C(=O)O)CCS 6b464d874868fc1a6da17eb52eab841d [0,1,0,1,0,0|2,0,0]=4 2392 B13R1.31 O=CCN1CC(=O)NC(C1)C(=O)O c80ba0a78c3b1b58d054c93c4c3c5e1c [0,1,0,1,0,0|2,0,0]=4 2393 B13R1.283 CC(=O)NC1CCCCCNC1=O cdaea92e896b6419cdcce8722094ed4f [0,1,0,1,0,0|2,0,0]=4 2394 B13R1.656 CCCOCC1NC(=O)CNC1=O b351993f9628e42dc56f70767d1a90e4 [0,1,0,1,0,0|2,0,0]=4 2395 B13R1.656 CCCOC[C@@H]1NC(=O)CNC1=O a3021ae78e709fb29e74ba36d8ce8479 [0,1,0,1,0,0|2,0,0]=4 2396 B13R1.656 COCOCC1NC(=O)CNC1=O 0196d75cede8f38ca1da284ddfb2474b [0,1,0,1,0,0|1,1,0]=4 2397 B13R1.656 COCOC[C@@H]1NC(=O)CNC1=O d6259836ddbc5490d4c57f63fd6806f9 [0,1,0,1,0,0|1,1,0]=4 2398 B13R1.656 CSCOCC1NC(=O)CNC1=O 0c1a1f63213469bdec89e28126506e99 [0,1,0,1,0,0|1,0,0]=3 2399 B13R1.656 CSCOC[C@@H]1NC(=O)CNC1=O 8a80cfd5a2459119fa1f1e4c614093e9 [0,1,0,1,0,0|1,0,0]=3 2400 B13R1.2773 CCSCCC(NC1CC1)C(=O)O c5e8d8cddd5bdf8470d88b5aa2987984 [0,1,0,1,0,0|1,0,1]=4 2401 B13R1.2773 CCSCC[C@@H](NC1CC1)C(=O)O cca33badb52b68632b264645b73e5a0b [0,1,0,1,0,0|1,0,1]=4 2402 B13R1.2773 CCSCC[C@H](NC1CC1)C(=O)O c7bdaacc738726fa1a4dc0d7b3260ecf [0,1,0,1,0,0|1,0,1]=4 2403 B13R1.2773 CSCCCC(NC1CC1)C(=O)O 6f93b1df238ccc6626a37b0bc4dcbf68 [0,1,0,1,0,0|1,0,1]=4 2404 B13R1.2773 CSCCC[C@@H](NC1CC1)C(=O)O 9ff36d945163d6fa2f9587211b0ee7f7 [0,1,0,1,0,0|1,0,1]=4 2405 B13R1.2773 CSCCC[C@H](NC1CC1)C(=O)O 268d3ac50e950643276b3fde32fb68d4 [0,1,0,1,0,0|1,0,1]=4 2406 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 2d40099e8b036158d15a607ccce260d3 [0,1,0,1,0,0|2,0,0]=4 2407 B13R1.8842 CC(=O)NC1(CCOCC1)C(=O)N a1dc050b63a7ef50003afbb9ef1d1bd3 [0,1,0,1,0,0|1,1,0]=4 2408 B13R1.8842 CC(C)NC1(CCSCC1)C(=O)O 6c2157866fd72e5e372347b310d21dd1 [0,1,0,1,0,0|1,0,1]=4 2409 B13R1.8853 CC(=O)N[C@@H](CN1CCC1)C(=O)O 3c04d3e1cab79d33280eddad536fe3bb [0,1,0,1,0,0|1,0,0]=3 2410 B13R1.8853 CC(=O)N[C@H](CN1CCC1)C(=O)O b6bcee5fe2c56a095958b5d35c4bf869 [0,1,0,1,0,0|1,0,0]=3 2411 B13R1.8853 O=C(O)CC(OC1CSC1)C(=O)O 80cc91e7a2fa238c4883da38f8206c7b [0,1,0,1,0,0|2,0,0]=4 2412 B13R1.8854 CC(=O)NC(COC1CC1)C(=O)O 1c8e9e4b688470549c9d94d44bb2e98a [0,1,0,1,0,0|1,0,0]=3 2413 B13R1.8854 CC(=O)N[C@@H](CNC1CC1)C(=O)O 1ada13d05dace26d0523393a446c3bf6 [0,1,0,1,0,0|1,0,0]=3 2414 B13R1.8854 CC(=O)N[C@@H](COC1CC1)C(=O)O 344284a19d8a13607aa4f7de81e6a050 [0,1,0,1,0,0|1,0,0]=3 2415 B13R1.8854 CC(=O)N[C@H](CNC1CC1)C(=O)O bedbf6ea6e44693199b7bdf24a125f35 [0,1,0,1,0,0|1,0,0]=3 2416 B13R1.8854 CC(=O)N[C@H](COC1CC1)C(=O)O 31dfab1491dfc431bc723f48f2f3ac59 [0,1,0,1,0,0|1,0,0]=3 2417 B13R1.527 CCC(=O)NC1CCCCNC1=O 4f5f4d4628f6fbf43384d654f41b766e [0,1,0,1,0,0|2,0,0]=4 2418 B13R1.527 CCC(=O)N[C@@H]1CCCCNC1=O 8eeab8fa15ade6304b29098550aaa887 [0,1,0,1,0,0|2,0,0]=4 2419 B13R1.527 CCC(=O)N[C@H]1CCCCNC1=O 9c23405a1afa68e4be40695dfa9cc933 [0,1,0,1,0,0|2,0,0]=4 2420 B13R1.527 O=C(CF)NC1CCCCNC1=O 70e0adf3fdaa44bff47c9ff79ae906d6 [0,1,0,1,0,0|2,0,0]=4 2421 B13R1.527 O=C(CF)N[C@@H]1CCCCNC1=O 079799de15df90646891b594d7d7420f [0,1,0,1,0,0|2,0,0]=4 2422 B13R1.527 O=C(CF)N[C@H]1CCCCNC1=O 5a3e05a328a19877c78ad5c6108df269 [0,1,0,1,0,0|2,0,0]=4 2423 B13R1.527 O=C(CO)NC1CCCCNC1=O 15acf108a8f165cbed17b40c42edfa23 [0,1,0,1,0,0|2,0,0]=4 2424 B13R1.527 O=C(CO)N[C@@H]1CCCCNC1=O df4bbfc8fa8300e06e395312585db249 [0,1,0,1,0,0|2,0,0]=4 2425 B13R1.527 O=C(CO)N[C@H]1CCCCNC1=O c3e0eeb311fa74c20e86e6c43a73b18f [0,1,0,1,0,0|2,0,0]=4 2426 B13R1.527 O=C(CS)NC1CCCCNC1=O ae58134ae95fa06b9e463b20c9ff8b97 [0,1,0,1,0,0|2,0,0]=4 2427 B13R1.527 O=C(CS)N[C@@H]1CCCCNC1=O c92821640eec7be7bf81352a9782a3f6 [0,1,0,1,0,0|2,0,0]=4 2428 B13R1.527 O=C(CS)N[C@H]1CCCCNC1=O 70bf89c76e110d6147ff6d71ae4742be [0,1,0,1,0,0|2,0,0]=4 2429 B13R1.547 CC(=O)C1CCCCN1C(=O)CF 10de68d2920abb17febf7771b271f96c [0,1,0,1,0,0|2,0,0]=4 2430 B13R1.547 CC(=O)C1CCCCN1C(=O)CO 522bc9e68be6a68afbdf46d8c89dd253 [0,1,0,1,0,0|2,0,0]=4 2431 B13R1.547 CC(=O)C1CCCCN1C(=O)CS 7d8885dd63c3f76a9cdda0205bb94c37 [0,1,0,1,0,0|2,0,0]=4 2432 B13R1.547 CC(C=O)N1CCCCC1C(=O)O dcba7d6aa62292b388aa1387f096d484 [0,1,0,1,0,0|1,0,1]=4 2433 B13R1.547 CC(C=O)N1CCCC[C@@H]1C(=O)O 6f536cc32563c87ed7f0f261ba766f41 [0,1,0,1,0,0|1,0,1]=4 2434 B13R1.547 CC(C=O)N1CCCC[C@H]1C(=O)O 21d68c2f8f1b871aa46dffe1db97357c [0,1,0,1,0,0|1,0,1]=4 2435 B13R1.547 CCC(=O)N1CCCCC1C(=O)C 8e931c15925a978f5f980981c35a0c3d [0,1,0,1,0,0|2,0,0]=4 2436 B13R1.547 CCC(=O)N1CCCCC1C(=O)N a5f234acf8d13cedb53ad8bef132f28c [0,1,0,1,0,0|2,0,0]=4 2437 B13R1.547 CCC(=O)N1CCCC[C@@H]1C(=O)N e5a49e6d4ffdcd8f1bf1fdd8428f681b [0,1,0,1,0,0|2,0,0]=4 2438 B13R1.547 CCC(=O)N1CCCC[C@H]1C(=O)N 9579d4747d1ab24cd222ce4806944078 [0,1,0,1,0,0|2,0,0]=4 2439 B13R1.547 CNC(=O)[C@H]1CCCCN1C(=O)C 83f4a41859a708aa0a2214ffabe758f3 [0,1,0,1,0,0|2,0,0]=4 2440 B13R1.547 COC(=O)C1CCCCN1C(=O)C f122799c91e39a821e02faa70026cde3 [0,1,0,1,0,0|1,0,0]=3 2441 B13R1.547 COC(=O)C1COCCN1C(=O)C 288c7b70f710f8b1481b15f16fd17cac [0,1,0,1,0,0|2,0,0]=4 2442 B13R1.547 COC(=O)[C@@H]1CCCCN1C(=O)C 2a55fe0f7295d08cc8898d2f8c181099 [0,1,0,1,0,0|1,0,0]=3 2443 B13R1.547 COC(=O)[C@@H]1COCCN1C(=O)C efba496db5810c6ffb7f1789401ed313 [0,1,0,1,0,0|2,0,0]=4 2444 B13R1.547 COC(=O)[C@H]1CCCCN1C(=O)C 0ab61c3b5c9d40ce9a14bcd2e746fbfd [0,1,0,1,0,0|1,0,0]=3 2445 B13R1.547 COC(=O)[C@H]1COCCN1C(=O)C 57c722d48beaf79ae01cbc039e86b0e8 [0,1,0,1,0,0|2,0,0]=4 2446 B13R1.547 C[C@H](C=O)N1CCCCC1C(=O)O 9022c237b80dc98df21a20860c7799e1 [0,1,0,1,0,0|1,0,1]=4 2447 B13R1.547 C[C@H](C=O)N1CCCC[C@@H]1C(=O)O aa4fb69701560d1e555c4c75e5be599d [0,1,0,1,0,0|1,0,1]=4 2448 B13R1.547 C[C@H](C=O)N1CCCC[C@H]1C(=O)O e5778dc18af6271fff5711d19dacee12 [0,1,0,1,0,0|1,0,1]=4 2449 B13R1.547 NC(=O)C1CCCCN1C(=O)CF 6f71423ed25c830bfb28064bcd3b48ba [0,1,0,1,0,0|2,0,0]=4 2450 B13R1.547 NC(=O)[C@@H]1CCCCN1C(=O)CF e729983f0886d7103f3c290b1b489f0c [0,1,0,1,0,0|2,0,0]=4 2451 B13R1.547 NC(=O)[C@H]1CCCCN1C(=O)CF 578d953233cd766f278c44516462d06f [0,1,0,1,0,0|2,0,0]=4 2452 B13R1.3582 CSCCC(NC1CCC1)C(=O)O 68f34c2824ac562d0184243a167de06f [0,1,0,1,0,0|1,0,1]=4 2453 B13R1.3582 CSCCC(NC1COC1)C(=O)O fbf9a2c93b5840f1dbe61b3da4c2df7c [0,1,0,1,0,0|0,0,2]=4 2454 B13R1.3582 CSCC[C@@H](NC1CCC1)C(=O)O 328efab3ad65831637a5c8fa43d1659e [0,1,0,1,0,0|1,0,1]=4 2455 B13R1.3582 CSCC[C@@H](NC1COC1)C(=O)O 8d87e266c844a869eaf79f2d3e7ffb57 [0,1,0,1,0,0|0,0,2]=4 2456 B13R1.3582 CSCC[C@H](NC1CCC1)C(=O)O 45fdfa06d3016a957486be7829399f42 [0,1,0,1,0,0|1,0,1]=4 2457 B13R1.3582 CSCC[C@H](NC1COC1)C(=O)O b1ccd09483873955304a2dff3c2fbc7c [0,1,0,1,0,0|0,0,2]=4 2458 B13R1.4930 C=CC(C)NC1(CCSC1)C(=O)O afc76e1c4619eea2a2836d2d952270b6 [0,1,0,1,0,0|1,0,1]=4 2459 B13R1.4930 CC(C=O)NC1(CCCC1)C(=O)O cd8dabbed775626ae6acd43bccd1a778 [0,1,0,1,0,0|1,0,1]=4 2460 B13R1.4930 CC(C=O)NC1(CCOC1)C(=O)O 7ac18fd67533a42bf0dfc425fdcb0ab6 [0,1,0,1,0,0|0,1,1]=4 2461 B13R1.4930 CC(C=O)NC1(CCSC1)C(=O)O 4c6f0840ebe8b9605380ba4348285f78 [0,1,0,1,0,0|0,0,1]=3 2462 B13R1.4930 CC(C=O)N[C@@]1(CCOC1)C(=O)O 6ce5de5c660a764d9466fc24499cfbc6 [0,1,0,1,0,0|0,1,1]=4 2463 B13R1.4930 CC(C=O)N[C@]1(CCOC1)C(=O)O d4d650b80de104aab6f3571d7ae2c4ab [0,1,0,1,0,0|0,1,1]=4 2464 B13R1.4930 CC(CO)NC1(CCSC1)C(=O)O 6800857455f6b0d13377654149e15cc5 [0,1,0,1,0,0|0,0,2]=4 2465 B13R1.4930 CCC(=O)NC1(CCCC1)C(=O)N 61c041c18ed370f300ec6ba440536c91 [0,1,0,1,0,0|2,0,0]=4 2466 B13R1.4930 CCC(C)NC1(CCSC1)C(=O)O 7717f18434363539cbcf176f1fd2b738 [0,1,0,1,0,0|1,0,1]=4 2467 B13R1.4930 C[C@@H](CO)NC1(CCSC1)C(=O)O 28618196bcc7b4723f62c74294d35e26 [0,1,0,1,0,0|0,0,2]=4 2468 B13R1.4930 C[C@H](C=O)NC1(CCCC1)C(=O)O fab28752341fc1f32be1f7463c6627d3 [0,1,0,1,0,0|1,0,1]=4 2469 B13R1.4930 C[C@H](C=O)NC1(CCOC1)C(=O)O beab5287aa5dc8397dfc29ebe949e263 [0,1,0,1,0,0|0,1,1]=4 2470 B13R1.4930 C[C@H](C=O)NC1(CCSC1)C(=O)O e5fa3bca3b4a6d0ea8b517101981601d [0,1,0,1,0,0|0,0,1]=3 2471 B13R1.4930 C[C@H](C=O)N[C@@]1(CCOC1)C(=O)O ebbec026e06765626a47f46f51884099 [0,1,0,1,0,0|0,1,1]=4 2472 B13R1.4930 C[C@H](C=O)N[C@]1(CCOC1)C(=O)O 4162002192d2a49cd529629fc7f3eb73 [0,1,0,1,0,0|0,1,1]=4 2473 B13R1.4930 C[C@H](CO)NC1(CCSC1)C(=O)O 97505d7dfd65715feffd91307013dbd5 [0,1,0,1,0,0|0,0,2]=4 2474 B13R1.4930 NC(=O)C1(CCCC1)NC(=O)CF 0ba995d0fede890f9810ca8db64a8cca [0,1,0,1,0,0|2,0,0]=4 2475 B13R1.4930 NC(=O)C1(CCCC1)NC(=O)CO 5d6482afe033c2c16614dd0055e64775 [0,1,0,1,0,0|2,0,0]=4 2476 B13R1.4930 NC(=O)C1(CCCC1)NC(=O)CS 051117bd41b4ec3bba236b67a42f9701 [0,1,0,1,0,0|2,0,0]=4 2477 B13R1.4957 CC(C=O)NC(CC1CC1)C(=O)O de4c15382b825312250b05c748aa49ca [0,1,0,1,0,0|1,0,1]=4 2478 B13R1.4957 CC(C=O)N[C@@H](CC1CC1)C(=O)O 68ba0265d46394c8803d76f1ce118ea6 [0,1,0,1,0,0|1,0,1]=4 2479 B13R1.4957 CC(C=O)N[C@H](CC1CC1)C(=O)O efa3ce7f2d78c0347c0a307c09e52f4d [0,1,0,1,0,0|1,0,1]=4 2480 B13R1.4957 C[C@H](C=O)NC(CC1CC1)C(=O)O de1b4d6bd95eaf04822b612586cdba2c [0,1,0,1,0,0|1,0,1]=4 2481 B13R1.4957 C[C@H](C=O)N[C@@H](CC1CC1)C(=O)O 13c23cb922b496745a8111a972baaa04 [0,1,0,1,0,0|1,0,1]=4 2482 B13R1.4957 C[C@H](C=O)N[C@H](CC1CC1)C(=O)O a5406808ef85f18a37643a2c3292f963 [0,1,0,1,0,0|1,0,1]=4 2483 B13R1.6212 CC(C=O)NC(C(=O)O)C1CCC1 94865987c355645e99b73176218a4b07 [0,1,0,1,0,0|1,0,1]=4 2484 B13R1.6212 CC(C=O)NC(C(=O)O)C1COC1 fcff6feb926113523dd57f768b68e43f [0,1,0,1,0,0|0,1,1]=4 2485 B13R1.6212 CC(C=O)N[C@@H](C(=O)O)C1CCC1 16958b1e05d86c9b56aef03da978cb74 [0,1,0,1,0,0|1,0,1]=4 2486 B13R1.6212 CC(C=O)N[C@@H](C(=O)O)C1COC1 ebb4b986b2b5f59563ad72bb1aafa3e1 [0,1,0,1,0,0|0,1,1]=4 2487 B13R1.6212 CC(C=O)N[C@H](C(=O)O)C1CCC1 e687afd33f0e3ca3757f418a1a5c411b [0,1,0,1,0,0|1,0,1]=4 2488 B13R1.6212 CC(C=O)N[C@H](C(=O)O)C1COC1 92a72161717cf241d7427b0c621a962e [0,1,0,1,0,0|0,1,1]=4 2489 B13R1.6212 C[C@H](C=O)NC(C(=O)O)C1CCC1 d340280a8c6d834146509e1404c5f11d [0,1,0,1,0,0|1,0,1]=4 2490 B13R1.6212 C[C@H](C=O)NC(C(=O)O)C1COC1 2e349c8a68d63fb34fd57f3f01577c60 [0,1,0,1,0,0|0,1,1]=4 2491 B13R1.6212 C[C@H](C=O)N[C@@H](C(=O)O)C1CCC1 92a66dc9994b73285f90f4c374f3fae2 [0,1,0,1,0,0|1,0,1]=4 2492 B13R1.6212 C[C@H](C=O)N[C@@H](C(=O)O)C1COC1 e9d35625267d589e19961b61876124e4 [0,1,0,1,0,0|0,1,1]=4 2493 B13R1.6212 C[C@H](C=O)N[C@H](C(=O)O)C1CCC1 66e44487e7764bc0a29d41ad02212b25 [0,1,0,1,0,0|1,0,1]=4 2494 B13R1.6212 C[C@H](C=O)N[C@H](C(=O)O)C1COC1 71622af9b48f5df2d76e35624ef5a91e [0,1,0,1,0,0|0,1,1]=4 2495 B13R1.126 CC(C)N1CC(=O)NC(C1)C(=O)O 7585bd13fa3ea3b0fe4f2d8f2fff5c48 [0,1,0,1,0,0|2,0,0]=4 2496 B13R1.314 CCN1CC(=O)NC(C1)C(=O)OC fa8e3aa166550952c8e94519a6959559 [0,1,0,1,0,0|2,0,0]=4 2497 B13R1.314 CCN1CC(=O)N[C@@H](C1)C(=O)OC 67df39a150dd6a57373303fa5e423054 [0,1,0,1,0,0|2,0,0]=4 2498 B13R1.314 CCN1CC(=O)N[C@H](C1)C(=O)OC 222b8d6c5b650515bfaaf2c9892fa715 [0,1,0,1,0,0|2,0,0]=4 2499 B13R1.1779 COC(=O)[C@H]1CSC(N1C(=O)C)C f8cdfeb0079e10f8eac69ce2306c23b3 [0,1,0,1,0,0|2,0,0]=4 2500 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C ca8c9158777bfa5426dca9d5afff6aeb [0,1,0,1,0,0|2,0,0]=4 2501 B13R1.3499 CC(=O)N[C@H]1CCCCN(C1=O)C 7cc5178cf72f0d50c6cf9c39b75dcd48 [0,1,0,1,0,0|2,0,0]=4 2502 B13R1.4719 COC(=O)C(NC(=O)C)C1COC1 21391ff7d898021b5c8dfe2bb6b779b3 [0,1,0,1,0,0|0,1,0]=3 2503 B13R1.4719 COC(=O)[C@@H](NC(=O)C)C1CCC1 d4a9753c82a7078e9cc0fae1b19df36a [0,1,0,1,0,0|1,0,0]=3 2504 B13R1.4719 COC(=O)[C@@H](NC(=O)C)C1COC1 b1606ea2232e27cee823fb6126542a08 [0,1,0,1,0,0|0,1,0]=3 2505 B13R1.4719 COC(=O)[C@H](NC(=O)C)C1CCC1 f9ec58d61f5c971eb8628388ee787b70 [0,1,0,1,0,0|1,0,0]=3 2506 B13R1.4719 COC(=O)[C@H](NC(=O)C)C1COC1 1cd89e3109f97154e5e4bb19223ba719 [0,1,0,1,0,0|0,1,0]=3 2507 B13R1.3593 CSCC[C@@H](C(=O)O)N(C)C1CC1 afa1d767542306451e3acbe124542c8f [0,1,0,1,0,0|1,0,1]=4 2508 B13R1.3593 CSCC[C@H](C(=O)O)N(C)C1CC1 b31248bafc65d03cdcd5c1fa34ec02b2 [0,1,0,1,0,0|1,0,1]=4 2509 B13R1.4992 CSCC[C@](C)(NC1CC1)C(=O)O a1023aa0b868490c9bf04f9d2f0e0833 [0,1,0,1,0,0|1,0,1]=4 2510 B13R2.4670 CC(=O)N1CC2CCC1C(=O)N2 5e3f611c5a6691ddb6ec8ac3c82462da [0,0,0,2,0,0|2,0,0]=4 2511 B13R2.3702 CC(=O)N1C2CCC1C(=O)NC2 a896b66000338fabd5b201c767a653c3 [0,0,0,2,0,0|2,0,0]=4 2512 B13R2.3702 CC(=O)N1C2CC[C@H]1C(=O)NC2 7263972a9190ed073eb0b1304e604a02 [0,0,0,2,0,0|2,0,0]=4 2513 B13R2.3702 CC(=O)N1[C@H]2CC[C@@H]1C(=O)NC2 22edafb73b56d588fca14712379f564d [0,0,0,2,0,0|2,0,0]=4 2514 B9R0.33 CCNC(C(=O)O)C(=O)O 0d482ea846f534098ef14938c7e501cb [1,0,0,0,1,0|2,0,0]=4 2515 B9R0.33 CCOC(C(=O)O)C(=O)O 02d8a94a2ef6c3e3f75e6dd0fd76f974 [1,0,0,0,1,0|2,0,0]=4 2516 B11R0.35 CCCC(CC(=O)O)NC(C)C f0adadeca161ee49b5fc87d047898094 [1,0,0,0,0,1|1,0,1]=4 2517 B11R0.35 CCC[C@@H](CC(=O)O)NC(C)C 043b2857e640d45f6207a790d1ce9fd3 [1,0,0,0,0,1|1,0,1]=4 2518 B11R0.164 C=C(C)CNC(CO)CCSC 00aeea0596e9f82530527de9e63d4b16 [1,0,0,0,0,1|1,0,1]=4 2519 B11R0.164 C=C(C)CN[C@@H](CO)CCSC 7a8eba6e98f889ae5fee255ceddde33a [1,0,0,0,0,1|1,0,1]=4 2520 B11R0.164 C=C(C)CN[C@H](CO)CCSC 37da628ebfeed0001a3d7f190042f33c [1,0,0,0,0,1|1,0,1]=4 2521 B11R0.164 CCCCC(CO)NCC(=O)C 0b4e7802926c365d99ede1a7159bdb18 [1,0,0,0,0,1|1,0,1]=4 2522 B11R0.164 CSCCC(CO)CNC(=O)C 355a33f8ca1f1bfc2d4eed3f9db8663a [1,0,0,0,0,1|0,0,1]=3 2523 B11R0.164 CSCCC(CO)NCC(=O)N 2635ebf7212558b11e0f8e39421fec32 [1,0,0,0,0,1|1,0,1]=4 2524 B11R0.164 CSCCC(CO)NCC(=O)O c23a18dffc25e03a7a3952f1b8557451 [1,0,0,0,0,1|1,0,1]=4 2525 B11R0.164 CSCC[C@@H](CO)NCC(=O)N cd174b11bdabc1557d1409b629b2938d [1,0,0,0,0,1|1,0,1]=4 2526 B11R0.164 CSCC[C@@H](CO)NCC(=O)O 3bf8f6a4cfdb1aeb74aa5311b47e57ae [1,0,0,0,0,1|1,0,1]=4 2527 B11R0.164 CSCC[C@H](CO)NCC(=O)N f8bf4f79b837bcefeeb5160dc42cd3c1 [1,0,0,0,0,1|1,0,1]=4 2528 B11R0.164 CSCC[C@H](CO)NCC(=O)O 3445659cb7a507da33c5c9191fa38d84 [1,0,0,0,0,1|1,0,1]=4 2529 B13R0.343 C=C(Br)CNC(CCSC)CC(=O)O feccb1400113bf5e3545647607605774 [0,0,0,0,0,2|1,0,1]=4 2530 B13R0.343 C=C(Br)CN[C@@H](CCSC)CC(=O)O eff13f3fb2b19623e76d12845e0bf275 [0,0,0,0,0,2|1,0,1]=4 2531 B13R0.343 C=C(Br)CN[C@H](CCSC)CC(=O)O 0a86d89cc023627dfce9af3bc0df8c7c [0,0,0,0,0,2|1,0,1]=4 2532 B13R0.343 C=C(C)CNC(CCCC)CC(=O)O 4be89d8b72bd1a6b139efc1b4a7bcd9f [0,0,0,0,0,2|2,0,0]=4 2533 B13R0.343 C=C(C)CNC(CCSC)CC(=O)O d08b4e038eb540ee34aa80868b371dcd [0,0,0,0,0,2|1,0,0]=3 2534 B13R0.343 C=C(C)CN[C@@H](CCSC)CC(=O)O b1cf350b59ce2fe9705f63e7a5f2ca66 [0,0,0,0,0,2|1,0,0]=3 2535 B13R0.343 C=C(C)CN[C@H](CCSC)CC(=O)O e2f8f9bc874508d9b1ee556267bc5241 [0,0,0,0,0,2|1,0,0]=3 2536 B13R0.343 C=C(Cl)CNC(CCSC)CC(=O)O 0579c6ab96de8b56c1140f880231f85f [0,0,0,0,0,2|1,0,1]=4 2537 B13R0.343 C=C(Cl)CN[C@@H](CCSC)CC(=O)O 46d4aaf06425739344ae809a1de92bef [0,0,0,0,0,2|1,0,1]=4 2538 B13R0.343 C=C(Cl)CN[C@H](CCSC)CC(=O)O 49b9f4fda39076d8c7093e5f2a2c091d [0,0,0,0,0,2|1,0,1]=4 2539 B13R0.343 C=C(F)CNC(CCSC)CC(=O)O 13137edd9d4308c9dd5d4ab6f3e0efc5 [0,0,0,0,0,2|1,0,1]=4 2540 B13R0.343 C=C(F)CN[C@@H](CCSC)CC(=O)O bd90c4cb57767aa263a2a43c34d16e1d [0,0,0,0,0,2|1,0,1]=4 2541 B13R0.343 C=C(F)CN[C@H](CCSC)CC(=O)O 1a3945d27884a879a718193ba620799d [0,0,0,0,0,2|1,0,1]=4 2542 B13R0.343 CCCCC(CC(=O)O)NCC(=O)N 2cc656e7d688fca5fd6e03e3adf84323 [0,0,0,0,0,2|2,0,0]=4 2543 B13R0.343 CCCCC(CC(=O)O)NCC(=O)O 3cf337086d06cd24fd50a93a124707a6 [0,0,0,0,0,2|2,0,0]=4 2544 B13R0.343 CSCCC(CC(=O)O)NCC(=O)N 3e2150a19e7c94ce63942c849e207870 [0,0,0,0,0,2|1,0,0]=3 2545 B13R0.343 CSCCC(CC(=O)O)NCC(=O)O fa5f7449228947a9913a273b563b98e2 [0,0,0,0,0,2|1,0,0]=3 2546 B13R0.343 CSCCC(CC(=O)O)NCC(C)C 07ac8ecc37af76462912edca7022b831 [0,0,0,0,0,2|1,0,1]=4 2547 B13R0.343 CSCCC(CC(=O)O)NCC(C)O 64b77aa5c2d3212de2ddf5b4258b8aa3 [0,0,0,0,0,2|0,0,2]=4 2548 B13R0.343 CSCCC(CC(=O)O)NCN(C)C cffd1b49c0d63530b1e7d3988e66a47c [0,0,0,0,0,2|2,0,0]=4 2549 B13R0.343 CSCCC(CC(=O)O)NC[C@@H](C)O 8efd129d86670a07964fbd0bdd9d6f99 [0,0,0,0,0,2|0,0,2]=4 2550 B13R0.343 CSCCC(CC(=O)O)NC[C@H](C)O b44caaa69a4819dab7c6db360e46ea91 [0,0,0,0,0,2|0,0,2]=4 2551 B13R0.343 CSCCC(CC(=O)O)NC[N+](=O)[O-] 846a9751d7e1371b6b927a847fd5dc4f [0,0,0,0,0,2|2,0,0]=4 2552 B13R0.343 CSCC[C@@H](CC(=O)O)NCC(=O)N dd0774c28f8bd6ecab7994e21a37d7a3 [0,0,0,0,0,2|1,0,0]=3 2553 B13R0.343 CSCC[C@@H](CC(=O)O)NCC(=O)O 6fbba46c1c771799077188abf5ef9698 [0,0,0,0,0,2|1,0,0]=3 2554 B13R0.343 CSCC[C@@H](CC(=O)O)NCC(C)C 32b2deb074e780b242d710d8648a475f [0,0,0,0,0,2|1,0,1]=4 2555 B13R0.343 CSCC[C@@H](CC(=O)O)NCC(C)O c027a1d0068d47b5ddf454c7f2a6be3d [0,0,0,0,0,2|0,0,2]=4 2556 B13R0.343 CSCC[C@@H](CC(=O)O)NCN(C)C d32c02661cb3f47379f1ca236ef05be2 [0,0,0,0,0,2|2,0,0]=4 2557 B13R0.343 CSCC[C@@H](CC(=O)O)NC[C@@H](C)O 374b83e75cc165e9eb96fb5ff57c416a [0,0,0,0,0,2|0,0,2]=4 2558 B13R0.343 CSCC[C@@H](CC(=O)O)NC[C@H](C)O 24d730073438a668e12ea17a54dae8be [0,0,0,0,0,2|0,0,2]=4 2559 B13R0.343 CSCC[C@@H](CC(=O)O)NC[N+](=O)[O-] 598b5ad663380c2b101cd7ec46c0b13b [0,0,0,0,0,2|2,0,0]=4 2560 B13R0.343 CSCC[C@H](CC(=O)O)NCC(=O)N 21ef572d81aa248ee00771580cf72233 [0,0,0,0,0,2|1,0,0]=3 2561 B13R0.343 CSCC[C@H](CC(=O)O)NCC(=O)O e577d15b95d9ddac3da8b3d163336985 [0,0,0,0,0,2|1,0,0]=3 2562 B13R0.343 CSCC[C@H](CC(=O)O)NCC(C)C 1e5a5feac756cbea6d3bf7955e42eb6a [0,0,0,0,0,2|1,0,1]=4 2563 B13R0.343 CSCC[C@H](CC(=O)O)NCC(C)O 201a93cfbf47a335b3e7664850a1eda9 [0,0,0,0,0,2|0,0,2]=4 2564 B13R0.343 CSCC[C@H](CC(=O)O)NCN(C)C bb986dd9b96ae25f26631a4017cb2260 [0,0,0,0,0,2|2,0,0]=4 2565 B13R0.343 CSCC[C@H](CC(=O)O)NC[C@@H](C)O de7f038680559dec294bc2c904bd1cb6 [0,0,0,0,0,2|0,0,2]=4 2566 B13R0.343 CSCC[C@H](CC(=O)O)NC[C@H](C)O c34e44556d29f82f897fee4db2dad6ba [0,0,0,0,0,2|0,0,2]=4 2567 B13R0.343 CSCC[C@H](CC(=O)O)NC[N+](=O)[O-] 4d3f6335f6fc98b4883e98de5ffdd365 [0,0,0,0,0,2|2,0,0]=4 2568 B13R0.1298 C#CCCC(NCCC(=O)C)C(=O)O 0ab79bd8871554be7191a5627672185f [0,0,0,0,0,2|1,0,1]=4 2569 B13R0.1298 C#CCCC(NCOC(=O)C)C(=O)O 57a3bbb2986b99932aeb0c498a998b51 [0,0,0,0,0,2|1,0,1]=4 2570 B13R0.1298 C#CCC[C@@H](NCCC(=O)C)C(=O)O a4c741baa5ffa59e27211205405d2be3 [0,0,0,0,0,2|1,0,1]=4 2571 B13R0.1298 C#CCC[C@@H](NCOC(=O)C)C(=O)O 2cfeea540ccbac7c4cc54311c6f1e672 [0,0,0,0,0,2|1,0,1]=4 2572 B13R0.1298 C#CCC[C@H](NCCC(=O)C)C(=O)O 92aff6f3cf5fe61cf3f33bf2e49e7462 [0,0,0,0,0,2|1,0,1]=4 2573 B13R0.1298 C#CCC[C@H](NCOC(=O)C)C(=O)O 7bb73d240d0bb1edd67fa9969d96b469 [0,0,0,0,0,2|1,0,1]=4 2574 B13R0.1298 C=C(C)CCNC(CCCC)C(=O)O 31c4b99f68062ade779506d4e1cf68cc [0,0,0,0,0,2|2,0,0]=4 2575 B13R0.1298 C=C(C)CCNC(CCSC)C(=O)O 325b038b4c70242e69748961ad8e4a71 [0,0,0,0,0,2|1,0,0]=3 2576 B13R0.1298 C=C(C)CCN[C@@H](CCCC)C(=O)O 00eb972bac33c3a6232b445bf099c0f6 [0,0,0,0,0,2|2,0,0]=4 2577 B13R0.1298 C=C(C)CCN[C@@H](CCOC)C(=O)O d888a833975cc4dea30071cc0c54309d [0,0,0,0,0,2|1,1,0]=4 2578 B13R0.1298 C=C(C)CCN[C@@H](CCSC)C(=O)N a490b92588321c04495e8a69fa0c1238 [0,0,0,0,0,2|2,0,0]=4 2579 B13R0.1298 C=C(C)CCN[C@@H](CCSC)C(=O)O fe24621b32e63c86bf8cf29eff8572f5 [0,0,0,0,0,2|1,0,0]=3 2580 B13R0.1298 C=C(C)CCN[C@H](CCCC)C(=O)O ccf741dfb06d232d20b9a7ab4e43e430 [0,0,0,0,0,2|2,0,0]=4 2581 B13R0.1298 C=C(C)CCN[C@H](CCSC)C(=O)O 20d71d473b3be1011f76a20863d12095 [0,0,0,0,0,2|1,0,0]=3 2582 B13R0.1298 C=CCCC(NCCC(=O)C)C(=O)O 541f33544285f3176bffe17a4a91a669 [0,0,0,0,0,2|1,0,1]=4 2583 B13R0.1298 C=CCCC(NCOC(=O)C)C(=O)O 6542039301066a418d3e7fb46ab948a9 [0,0,0,0,0,2|1,0,1]=4 2584 B13R0.1298 C=CCC[C@@H](NCCC(=O)C)C(=O)O 3e4bcc962f11b0cfca6d2b46b084b683 [0,0,0,0,0,2|1,0,1]=4 2585 B13R0.1298 C=CCC[C@@H](NCOC(=O)C)C(=O)O 6de877da4085eb2b768c8a9fb623b069 [0,0,0,0,0,2|1,0,1]=4 2586 B13R0.1298 C=CCC[C@H](NCCC(=O)C)C(=O)O 173da7110624ea41608cd4fdd92221fa [0,0,0,0,0,2|1,0,1]=4 2587 B13R0.1298 C=CCC[C@H](NCOC(=O)C)C(=O)O 0e9324c76ae9d0b336d6842654d0d852 [0,0,0,0,0,2|1,0,1]=4 2588 B13R0.1298 CC#CC[C@@H](NCCC(=O)C)C(=O)O fc2d806ffc1b86387e1af4b134b536a9 [0,0,0,0,0,2|1,0,1]=4 2589 B13R0.1298 CC#CC[C@@H](NCOC(=O)C)C(=O)O 1f07a957bd7e5c198a73dc48ebe77914 [0,0,0,0,0,2|1,0,1]=4 2590 B13R0.1298 CC#CC[C@H](NCCC(=O)C)C(=O)O 1ecb51cd251708172be93ba383ad6d19 [0,0,0,0,0,2|1,0,1]=4 2591 B13R0.1298 CC#CC[C@H](NCOC(=O)C)C(=O)O 520ea36c296eee98eccf5870399e8f1f [0,0,0,0,0,2|1,0,1]=4 2592 B13R0.1298 CC(=O)CCN[C@@H](CCCO)C(=O)O 5603d6c599c1de640e941d558e04269d [0,0,0,0,0,2|2,0,0]=4 2593 B13R0.1298 CC(=O)CCN[C@H](CCCO)C(=O)O cd1b0d4ee430ad5f7457b354b6b10b9a [0,0,0,0,0,2|2,0,0]=4 2594 B13R0.1298 CC(=O)OCN[C@@H](CCCO)C(=O)O 6486a6d726eb4e5065c1addc565f4b81 [0,0,0,0,0,2|2,0,0]=4 2595 B13R0.1298 CC(=O)OCN[C@H](CCCO)C(=O)O c085056add5451e5011a88fa349219ea [0,0,0,0,0,2|2,0,0]=4 2596 B13R0.1298 CCCCC(NC/C=C(/C)\I)C(=O)O 5aa6a7e2cee5ee4336d4a75b386dbd9f [0,0,0,0,0,2|2,0,0]=4 2597 B13R0.1298 CCCCC(NC/C=C(\C)/Cl)C(=O)O 31a94646e5d541db3a1ca09b71717e8b [0,0,0,0,0,2|2,0,0]=4 2598 B13R0.1298 CCCCC(NCC=C(C)C)C(=O)O 59dbfbe661281df0c530f5376cccf34c [0,0,0,0,0,2|2,0,0]=4 2599 B13R0.1298 CCCCC(NCC=C(C)Cl)C(=O)O 9c45016b15e45e0b6d46664c42c30962 [0,0,0,0,0,2|2,0,0]=4 2600 B13R0.1298 CCCCC(NCC=C(C)I)C(=O)O 1af68b5e6301ba112ee75d7131d113ef [0,0,0,0,0,2|2,0,0]=4 2601 B13R0.1298 CCCCC(NCCC(=O)C)C(=O)N daf833a601f62ab1377f688bc21422b5 [0,0,0,0,0,2|2,0,0]=4 2602 B13R0.1298 CCCCC(NCCC(=O)C)C(=O)O b68bf7cf2128e5bbeec46cb940d6248b [0,0,0,0,0,2|1,0,0]=3 2603 B13R0.1298 CCCCC(NCCC(=O)N)C(=O)O ab9d9be020eabb2a4a1feccdefdac8b6 [0,0,0,0,0,2|2,0,0]=4 2604 B13R0.1298 CCCCC(NCCC(=O)O)C(=O)O 135eb4df11afbcaac4e169fa38ce51bd [0,0,0,0,0,2|2,0,0]=4 2605 B13R0.1298 CCCCC(NCOC(=O)C)C(=O)N 06eec7e5e5a25dbc53fb87bd8f425abd [0,0,0,0,0,2|2,0,0]=4 2606 B13R0.1298 CCCCC(NCOC(=O)C)C(=O)O a31f2f7ee9c05722fbc40b7cf7da10df [0,0,0,0,0,2|1,0,0]=3 2607 B13R0.1298 CCCCC(OCNC(=O)C)C(=O)N c1f8fcacb85cbc30598070231dcd5853 [0,0,0,0,0,2|2,0,0]=4 2608 B13R0.1298 CCCCC(OCOC(=O)C)C(=O)O 9f64aca86f7d89c691f8e2484d4099bd [0,0,0,0,0,2|2,0,0]=4 2609 B13R0.1298 CCCC[C@@H](NC/C=C(/C)\I)C(=O)O c88a8c879a3195058eaac2cdd61850e0 [0,0,0,0,0,2|2,0,0]=4 2610 B13R0.1298 CCCC[C@@H](NC/C=C(\C)/Cl)C(=O)O c7c0d5a20daefb4796f1f99a9190816b [0,0,0,0,0,2|2,0,0]=4 2611 B13R0.1298 CCCC[C@@H](NCC=C(C)C)C(=O)O 625c7c07e2c950cd14fc52339f589acb [0,0,0,0,0,2|2,0,0]=4 2612 B13R0.1298 CCCC[C@@H](NCC=C(C)Cl)C(=O)O 4913eaff6415b7874376737fb23c10a3 [0,0,0,0,0,2|2,0,0]=4 2613 B13R0.1298 CCCC[C@@H](NCC=C(C)I)C(=O)O d7e8a8feae0c59b815e57793e08c9d02 [0,0,0,0,0,2|2,0,0]=4 2614 B13R0.1298 CCCC[C@@H](NCCC(=O)C)C(=O)O 3b9b6603c65d69df1a3be999086ffa52 [0,0,0,0,0,2|1,0,0]=3 2615 B13R0.1298 CCCC[C@@H](NCCC(=O)N)C(=O)O 8812c64cefecc590e8df82c5897cdf3b [0,0,0,0,0,2|2,0,0]=4 2616 B13R0.1298 CCCC[C@@H](NCCC(=O)O)C(=O)O a3e1e84176ac54885ef1e694e00d978c [0,0,0,0,0,2|2,0,0]=4 2617 B13R0.1298 CCCC[C@@H](NCOC(=O)C)C(=O)O 6c076ae9e4d4ac9a2ce4f494c598bb3c [0,0,0,0,0,2|1,0,0]=3 2618 B13R0.1298 CCCC[C@@H](OCOC(=O)C)C(=O)O 6a66c5637db86e914b4f8a24b1802392 [0,0,0,0,0,2|2,0,0]=4 2619 B13R0.1298 CCCC[C@H](NC/C=C(/C)\I)C(=O)O d7294ab1d865c2011068b081025e7971 [0,0,0,0,0,2|2,0,0]=4 2620 B13R0.1298 CCCC[C@H](NC/C=C(\C)/Cl)C(=O)O b853eea0213f56e3c00ddc4909708011 [0,0,0,0,0,2|2,0,0]=4 2621 B13R0.1298 CCCC[C@H](NCC=C(C)C)C(=O)O f64750a36dc28cb24bd78bda473e7dad [0,0,0,0,0,2|2,0,0]=4 2622 B13R0.1298 CCCC[C@H](NCC=C(C)Cl)C(=O)O 7e85463dcceaf2fc0fdf7e9466855a56 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