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NC(=O)CNC1(CCCCC1)CO 145b68e64f28341632c41ed217a2929f [0,0,0,0,0,1|2,0,0]=3 113 B13R1.5993 NC(=O)CNC1(CCOCC1)CO 68525e7c2fc483d85e2c0b7678d65ee9 [0,0,0,0,0,1|3,0,0]=4 114 B13R1.5993 NC(=O)CNC1(CCSCC1)CO bee01db03e9aa7ba369b7558e980f333 [0,0,0,0,0,1|3,0,0]=4 115 B13R1.5993 O=C(O)CNC1(CCCCC1)CO 6ba6e529364d18b082b251bf4f6ec0a6 [0,0,0,0,0,1|1,0,0]=2 116 B13R1.5993 O=C(O)CNC1(CCOCC1)CO d10a2019ace91545205d91d8d35435ee [0,0,0,0,0,1|2,0,0]=3 117 B13R1.5993 O=C(O)CNC1(CCSCC1)CO 0d918060f88b43a9a822ce0d45b545b3 [0,0,0,0,0,1|2,0,0]=3 118 B13R1.5993 O=[N+]([O-])CNC1(CCCCC1)CO 118f7db91aefc9279827ddb4362fd60e [0,0,0,0,0,1|2,0,1]=4 119 B10R0.6 CC(CC(=O)O)NCCCCl 48b7d690fad84a46d1547de314bbf1a4 [1,0,1,0,0,0|2,0,0]=4 120 B10R0.6 CC(CC(=O)O)NCCCF 23fa635ecedd135c01d43b5902dd459f [1,0,1,0,0,0|2,0,0]=4 121 B10R0.6 CC(CC(=O)O)NCCCO 4fbb8f4c2657a517b102801a572c5eec [1,0,1,0,0,0|2,0,0]=4 122 B10R0.6 CC(CC(=O)O)NCCCS de169f9e46b450df4c2135ce269ede5c [1,0,1,0,0,0|2,0,0]=4 123 B10R0.6 CC(CC(=O)O)OCCCF 20a46841ce7a31e62f3e0b0db948cc8c [1,0,1,0,0,0|2,0,0]=4 124 B10R0.6 CCCCCC(C)NC(=O)C c171b2058cf01627dcbe5546a9adf771 [1,0,1,0,0,0|2,0,0]=4 125 B10R0.6 CCCCCN(C)CC(=O)N 856176a9883c7f313669e596dfe6bc0d [1,0,1,0,0,0|2,0,0]=4 126 B10R0.6 CCCCCN(C)CC(=O)O 4ab140d6aac6faac2393e297443e0dda [1,0,1,0,0,0|1,0,0]=3 127 B10R0.6 CCCCC[C@H](C)NC(=O)C 3ba852cb007a73bb1c521783cc9a5f9b [1,0,1,0,0,0|2,0,0]=4 128 B10R0.6 CCCCNC(C)CC(=O)O c633822bdd37960050b77a4c542ea52f [1,0,1,0,0,0|1,0,0]=3 129 B10R0.6 CCCCN[C@@H](C)CC(=O)O fb7944b4d683d296fe4ee273d84f1842 [1,0,1,0,0,0|1,0,0]=3 130 B10R0.6 CCCCN[C@H](C)CC(=O)O effa4168fb691284724307507367e076 [1,0,1,0,0,0|1,0,0]=3 131 B10R0.6 CCCCOC(C)CC(=O)N c3a32793bdcb30080a8edc904272094b [1,0,1,0,0,0|2,0,0]=4 132 B10R0.6 CCCCOC(C)CC(=O)O 7d385d82783db9ce90ee671d43dd6564 [1,0,1,0,0,0|1,0,0]=3 133 B10R0.6 CCCCO[C@@H](C)CC(=O)O e0b1114df9792477e60a032af290ecc0 [1,0,1,0,0,0|1,0,0]=3 134 B10R0.6 CCCCO[C@H](C)CC(=O)O 72d7a585b30718443ba3a12d0dc6335b [1,0,1,0,0,0|1,0,0]=3 135 B10R0.6 CCCNCC(O)CC(=O)O 16b23299f37a8d9496c6c0b6251c38a9 [1,0,1,0,0,0|2,0,0]=4 136 B10R0.6 CCCNC[C@@H](O)CC(=O)O 291cb1436a6d09c088f19d633b5b0ffe [1,0,1,0,0,0|2,0,0]=4 137 B10R0.6 CCCNC[C@H](O)CC(=O)O d3a494af08bc1bf4019a0efd791c0770 [1,0,1,0,0,0|2,0,0]=4 138 B10R0.6 CCOCCN(C)CC(=O)O 446c9fb74019ee2196c63ade707c10c3 [1,0,1,0,0,0|2,0,0]=4 139 B10R0.6 CCOCNC(C)CC(=O)O e232c1c2473f278b5dd6d8ffcff4cdb5 [1,0,1,0,0,0|2,0,0]=4 140 B10R0.6 CCOCN[C@@H](C)CC(=O)O 53fc876a49cea24f5633a426e3c1dbbc [1,0,1,0,0,0|2,0,0]=4 141 B10R0.6 CCOCN[C@H](C)CC(=O)O 39099b3d3785dee4739e3a647ac154fd [1,0,1,0,0,0|2,0,0]=4 142 B10R0.6 CCSCCN(C)CC(=O)O bf9cb6b97ff05d946ff937b1880a0d94 [1,0,1,0,0,0|2,0,0]=4 143 B10R0.6 CN(CCCCF)CC(=O)O 5b61e09434cdab4e8b2006d911810673 [1,0,1,0,0,0|2,0,0]=4 144 B10R0.6 CN(CCCCO)CC(=O)O 3fccb24de06af31e6c74eb15833d5ef5 [1,0,1,0,0,0|2,0,0]=4 145 B10R0.6 COCCCN(C)CC(=O)O 570ce0e05954c4a488f48f559ecab73e [1,0,1,0,0,0|2,0,0]=4 146 B10R0.6 COCCNC(C)CC(=O)O 866bf16b62e1dc773e32e16c0e9cd051 [1,0,1,0,0,0|2,0,0]=4 147 B10R0.6 COCCN[C@@H](C)CC(=O)O ec4a659a240a6314aa96b92d2dff1eec [1,0,1,0,0,0|2,0,0]=4 148 B10R0.6 COCCN[C@H](C)CC(=O)O 838f867351d83330c44dc0c28aec25bc [1,0,1,0,0,0|2,0,0]=4 149 B10R0.6 COCCOC(C)CC(=O)O d0e3d911dad40bab8f3555ffc7325db6 [1,0,1,0,0,0|2,0,0]=4 150 B10R0.6 COCCO[C@@H](C)CC(=O)O 47f213839360a14b30232500a6e3a55c [1,0,1,0,0,0|2,0,0]=4 151 B10R0.6 COCCO[C@H](C)CC(=O)O 595ef25f89eca27131e928b5b3eaded7 [1,0,1,0,0,0|2,0,0]=4 152 B10R0.6 CSCCCN(C)CC(=O)O fa30553e74200a7f26d562b5c7e9478c [1,0,1,0,0,0|2,0,0]=4 153 B10R0.6 CSCCNC(C)CC(=O)O 9da2962f33fb37a44ca64ede33ad8f52 [1,0,1,0,0,0|2,0,0]=4 154 B10R0.6 CSCCN[C@@H](C)CC(=O)O 39385d46d0a84bc98fffdcad4c3bc192 [1,0,1,0,0,0|2,0,0]=4 155 B10R0.6 CSCCN[C@H](C)CC(=O)O 1c67020f7e973da201e07f7e06f13cbe [1,0,1,0,0,0|2,0,0]=4 156 B10R0.6 CSCCOC(C)CC(=O)O 6911747b09b0e914783455dfa183174e [1,0,1,0,0,0|2,0,0]=4 157 B10R0.6 CSCCO[C@@H](C)CC(=O)O 49c5c9a29588caf6c1e9c935784d524d [1,0,1,0,0,0|2,0,0]=4 158 B10R0.6 CSCCO[C@H](C)CC(=O)O 9b88641f60cd511fa1cc0648b62c50b9 [1,0,1,0,0,0|2,0,0]=4 159 B10R0.6 C[C@@H](CC(=O)O)NCCCF 2ca098fb78cd2275fa7827d7cbdf3415 [1,0,1,0,0,0|2,0,0]=4 160 B10R0.6 C[C@@H](CC(=O)O)NCCCO 4f7d2323e51c64e7b3da81c1325bd272 [1,0,1,0,0,0|2,0,0]=4 161 B10R0.6 C[C@@H](CC(=O)O)NCCCS c0b7b18a9f2f6f4fb31696c0a9a0e6ad [1,0,1,0,0,0|2,0,0]=4 162 B10R0.6 C[C@@H](CC(=O)O)OCCCF 297974c6df83de99f3f79860b8b4a3e1 [1,0,1,0,0,0|2,0,0]=4 163 B10R0.6 C[C@H](CC(=O)O)NCCCF 3c8264645396c7dac6d62f574c537790 [1,0,1,0,0,0|2,0,0]=4 164 B10R0.6 C[C@H](CC(=O)O)NCCCO d5235cc6cbd5c6266ff267f459ee7d56 [1,0,1,0,0,0|2,0,0]=4 165 B10R0.6 C[C@H](CC(=O)O)NCCCS c1fa447b2542b4a01d1b7547d6ab83e2 [1,0,1,0,0,0|2,0,0]=4 166 B10R0.6 C[C@H](CC(=O)O)OCCCF 0f9befde539df2dd0e50e0d7ee8de3ef [1,0,1,0,0,0|2,0,0]=4 167 B10R0.87 CCCCN(CC)CC(=O)O 772add9f0e887e86d0cbf3269f3f6ddb [1,0,1,0,0,0|2,0,0]=4 168 B10R0.87 CCCCN(CF)CC(=O)O 3a604dedfa347ab87a0ae65dfb0ce884 [1,0,1,0,0,0|2,0,0]=4 169 B10R0.87 CCCCN(CO)CC(=O)O b11715691ebd7751950d8a4d2511de52 [1,0,1,0,0,0|2,0,0]=4 170 B10R0.87 CCCNC(CC)CC(=O)O b2b438470e8613c4cb1b71f20eb9f370 [1,0,1,0,0,0|2,0,0]=4 171 B10R0.87 CCCNC(CO)CC(=O)O f9b1c679832234f1a78c7e91497f237e [1,0,1,0,0,0|2,0,0]=4 172 B10R0.87 CCCN[C@@H](CC)CC(=O)O 2a8a45d34c1dda4044ad9c2e8398ec46 [1,0,1,0,0,0|2,0,0]=4 173 B10R0.87 CCCN[C@@H](CO)CC(=O)O ab4bb5b0444c72e8fed52de4b7018867 [1,0,1,0,0,0|2,0,0]=4 174 B10R0.87 CCCN[C@H](CC)CC(=O)O 190232932dc7952509c4d4a7c70c1d89 [1,0,1,0,0,0|2,0,0]=4 175 B10R0.87 CCCN[C@H](CO)CC(=O)O 6ffb6d9cba6c9d2e404dfe2673d7749a [1,0,1,0,0,0|2,0,0]=4 176 B10R0.87 CCCOC(CC)CC(=O)O c4d8b7398bb7277176d1defff4ae6f9a [1,0,1,0,0,0|2,0,0]=4 177 B10R0.87 CCCO[C@@H](CC)CC(=O)O f7681333e7d1842bf262675afad73c51 [1,0,1,0,0,0|2,0,0]=4 178 B10R0.87 CCCO[C@H](CC)CC(=O)O 5546955c5c22062d12cbbffd167d46a3 [1,0,1,0,0,0|2,0,0]=4 179 B10R0.122 CC(C)(CC(=O)O)NCCF 8e9e87a707fbfe82e361c6a0fd4ba2bb [1,0,1,0,0,0|2,0,0]=4 180 B10R0.122 CC(C)(CC(=O)O)NCCO 67de31fae00a690e575431383d4e7686 [1,0,1,0,0,0|2,0,0]=4 181 B10R0.122 CC(C)(CC(=O)O)NCCS 9e913b1e58e48a59f4caf128f456fe91 [1,0,1,0,0,0|2,0,0]=4 182 B10R0.122 CC(C)(CNCF)CC(=O)O 59641d0ee943557d9aa03df18d65e13d [1,0,1,0,0,0|2,0,0]=4 183 B10R0.122 CC(C)(CNCO)CC(=O)O e55ff3b1f8b0256a53248d1bd9215402 [1,0,1,0,0,0|2,0,0]=4 184 B10R0.122 CCCNC(C)(C)CC(=O)C d4385734e2a9220bddeee5c566cbc447 [1,0,1,0,0,0|2,0,0]=4 185 B10R0.122 CCCNC(C)(C)CC(=O)N dc2c021c6343836d9577eb0b411e89ec [1,0,1,0,0,0|2,0,0]=4 186 B10R0.122 CCCNC(C)(C)CC(=O)O 1fc900d57ba1ceccc497a9f6502f09c9 [1,0,1,0,0,0|1,0,0]=3 187 B10R0.122 CCNCC(C)(C)CC(=O)O a15d56bc5b936cb15bd1f1d036f35cfe [1,0,1,0,0,0|1,0,0]=3 188 B10R0.122 COCNC(C)(C)CC(=O)O 2e75bb24ea7eff8ceb370a053174a30d [1,0,1,0,0,0|2,0,0]=4 189 B10R0.122 CSCNC(C)(C)CC(=O)O ab7e2a854f3cc6a179a8974cd4e999bf [1,0,1,0,0,0|2,0,0]=4 190 B10R1.18 O=C(O)CN1CCCOC1 276c9e6db5c50efdf0013ee255981aea [2,0,0,0,0,0|2,0,0]=4 191 B10R1.18 O=C(O)CN1CCCSC1 969c23a84a85279fbc953810ec4f4635 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.18 O=C(O)CN1CCOCC1 71b10415ca7d674c1df6add3bdabacae [2,0,0,0,0,0|2,0,0]=4 193 B10R1.18 O=C(O)CN1CCSCC1 71c83e558b9a1fa155bf6e87dce077b1 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.377 CC1(CCCCC1)NC=O 6ae8a8b9f1f26131c7f30af4e9c95bc8 [2,0,0,0,0,0|1,0,0]=3 195 B10R1.377 CC1(CCCCC1)NCO f2c2c67aa89f96e757f2d9d4c78c9e25 [2,0,0,0,0,0|1,0,1]=4 196 B10R1.377 CC1(CCOCC1)NC=O 3fe473ec47ebb70e1ecc048a6f3391ca [2,0,0,0,0,0|2,0,0]=4 197 B12R0.18 CCCC(C)CN(CC)CC(=O)O 7719970f75b36259083a96d4344a0317 [0,1,1,0,0,0|2,0,0]=4 198 B12R0.18 CCCC(C)NC(CC)CC(=O)O bf7c25669607e4a24343a7a07bd8cf01 [0,1,1,0,0,0|2,0,0]=4 199 B12R0.18 CCCC(C)NC(CO)CC(=O)O 4d31747baa6df54160418b0341d025a2 [0,1,1,0,0,0|2,0,0]=4 200 B12R0.18 CCCC(C)N[C@@H](CC)CC(=O)O 4c25ea12bcc94ad1f474b329ee740ae8 [0,1,1,0,0,0|2,0,0]=4 201 B12R0.18 CCCC(C)N[C@@H](CO)CC(=O)O fdcf27aa6bbb4264dfa6d92fd0180c54 [0,1,1,0,0,0|2,0,0]=4 202 B12R0.18 CCCC(C)N[C@H](CC)CC(=O)O 00a671b619d8974792351159ca92adb5 [0,1,1,0,0,0|2,0,0]=4 203 B12R0.18 CCCC(C)N[C@H](CO)CC(=O)O 12517fc5904273650f01c6c1f4642716 [0,1,1,0,0,0|2,0,0]=4 204 B12R0.18 CCCC(C)OC(CC)CC(=O)O 476619a2704d112420db80c924bd2931 [0,1,1,0,0,0|2,0,0]=4 205 B12R0.18 CCCC(C)O[C@@H](CC)CC(=O)O ddbd985cbf31d8f71fd354419ea99f98 [0,1,1,0,0,0|2,0,0]=4 206 B12R0.18 CCCC(C)O[C@H](CC)CC(=O)O acb2eb25a0838a53f89f495ab987580d [0,1,1,0,0,0|2,0,0]=4 207 B12R0.94 CCCCC(C)N(CC)CC(=O)O 7d5d460761898bc8c0d94b3028c6f101 [0,1,1,0,0,0|2,0,0]=4 208 B12R0.94 CCCCN(C)C(CC)CC(=O)O bcd4d0d1087d9db169dafa0a55c6cf44 [0,1,1,0,0,0|2,0,0]=4 209 B12R0.120 CCCCCN(CC(=O)O)C(C)C 11e67c90f70cf574e1dad1754635ee27 [0,1,1,0,0,0|2,0,0]=4 210 B12R0.120 CCCCNC(CC(=O)O)C(=O)N e92386df045e02c7a28cb1333f6662b5 [0,1,1,0,0,0|1,0,1]=4 211 B12R0.120 CCCCNC(CC(=O)O)C(C)C 49a9683470a3e1bf1f46825c6291426d [0,1,1,0,0,0|2,0,0]=4 212 B12R0.120 CCCCN[C@@H](CC(=O)O)C(C)C 758c2909bf442ccc357d221558843c6f [0,1,1,0,0,0|2,0,0]=4 213 B12R0.120 CCCCN[C@H](CC(=O)O)C(=O)N cc14593caf5616ce7d6f48a11f583919 [0,1,1,0,0,0|1,0,1]=4 214 B12R0.120 CCCCN[C@H](CC(=O)O)C(C)C 1dec754a602547efc9d8c4d6b3985317 [0,1,1,0,0,0|2,0,0]=4 215 B12R0.120 CCCCN[C@H](CC(=O)O)[C@@H](C)O 5b02b698d6b0671e0443f495f5867921 [0,1,1,0,0,0|2,0,0]=4 216 B12R0.122 CCCCCN(CC)C(C)C(=O)O aa10bc71af9b19691d02c9f044504a6b [0,1,1,0,0,0|2,0,0]=4 217 B12R0.122 CCCCCN(CC)[C@@H](C)C(=O)O a9a00a58f2d11bba77528749cda338b6 [0,1,1,0,0,0|2,0,0]=4 218 B12R0.122 CCCCCN(CC)[C@H](C)C(=O)O fee7f0df0e2a785b6ac03fb6b5db9fd5 [0,1,1,0,0,0|2,0,0]=4 219 B12R0.122 CCCNCC(CC)C(O)C(=O)O 33b82c42bc1c9d31feb4225ac16be36a [0,1,1,0,0,0|2,0,0]=4 220 B12R0.126 CCCCOC(CC)CC(=O)OC 385a59939af66a00f248c44797854b7d [0,1,1,0,0,0|2,0,0]=4 221 B12R0.126 CCCCO[C@@H](CC)CC(=O)OC e1d5b2c5ef1d78ce9a2fa6fa7595a976 [0,1,1,0,0,0|2,0,0]=4 222 B12R0.126 CCCCO[C@H](CC)CC(=O)OC c45426b7a54a6d22567cd4083992c895 [0,1,1,0,0,0|2,0,0]=4 223 B12R0.202 CCC(CC(=O)O)NCCCCF 7d72da53a87ab91f8973517de3992126 [0,1,1,0,0,0|2,0,0]=4 224 B12R0.202 CCC(CC(=O)O)NCCCCO f42d9a199932ea2ab554619ba691512a [0,1,1,0,0,0|2,0,0]=4 225 B12R0.202 CCC(CC(=O)O)NCCCOC 7f886be3d176501a740e1f40004067a1 [0,1,1,0,0,0|2,0,0]=4 226 B12R0.202 CCC(CC(=O)O)NCCCSC e8cd43f4a321e6cfef5d6508932a262b [0,1,1,0,0,0|2,0,0]=4 227 B12R0.202 CCC(CC(=O)O)OCCCCF 5c4c7ca2b47a27170a9da9615843420d [0,1,1,0,0,0|2,0,0]=4 228 B12R0.202 CCC(CC(=O)O)OCCCOC 85407facfcbb8f51dc01d90cdb012bae [0,1,1,0,0,0|2,0,0]=4 229 B12R0.202 CCC(CC(=O)O)OCCCSC cd9337578d3c6696c1a104144371a162 [0,1,1,0,0,0|2,0,0]=4 230 B12R0.202 CCCCCCN(CC)CC(=O)O cef6551e395592cc38548c7609482b03 [0,1,1,0,0,0|2,0,0]=4 231 B12R0.202 CCCCCNC(CC)CC(=O)O 844296532d8a0d5c7fde6eee1b255c8d [0,1,1,0,0,0|1,0,0]=3 232 B12R0.202 CCCCCNC(CO)CC(=O)O 65bea1fb4f58e42733ab9ef806cfdba1 [0,1,1,0,0,0|1,0,0]=3 233 B12R0.202 CCCCCN[C@@H](CC)CC(=O)O dc24aff87d075303af3694ca767552a6 [0,1,1,0,0,0|1,0,0]=3 234 B12R0.202 CCCCCN[C@@H](CO)CC(=O)O 3745368dc2bb3af9fe3ec1c9a2114c20 [0,1,1,0,0,0|1,0,0]=3 235 B12R0.202 CCCCCN[C@H](CC)CC(=O)O 0e386f6f241bba3c6e8760903b2c774c [0,1,1,0,0,0|1,0,0]=3 236 B12R0.202 CCCCCN[C@H](CO)CC(=O)O 5336067063d663cc71ea0497fffccb46 [0,1,1,0,0,0|1,0,0]=3 237 B12R0.202 CCCCCOC(CC)CC(=O)O 9af7f49d53ee9bb7605c3c32887fde45 [0,1,1,0,0,0|1,0,0]=3 238 B12R0.202 CCCCCO[C@@H](CC)CC(=O)O 30eb7e724c0b6edbaab1bb03fc732399 [0,1,1,0,0,0|1,0,0]=3 239 B12R0.202 CCCCCO[C@H](CC)CC(=O)O ccc7209bf85c3602e93ee07d14ed3a45 [0,1,1,0,0,0|1,0,0]=3 240 B12R0.202 CCCCOCN(CC)CC(=O)O 60e6f1b745b9987289e1fd1b256f6656 [0,1,1,0,0,0|2,0,0]=4 241 B12R0.202 CCCOCCN(CC)CC(=O)O b94c8f61e062fb6702e12f3683c3c2ec [0,1,1,0,0,0|2,0,0]=4 242 B12R0.202 CCN(CCCCCF)CC(=O)O bc846a475f40b73723355289b85adb01 [0,1,1,0,0,0|2,0,0]=4 243 B12R0.202 CCN(CCCCCO)CC(=O)O fae1fdf021c3039480b4f23f6df82cf9 [0,1,1,0,0,0|2,0,0]=4 244 B12R0.202 CCN(CCCCOC)CC(=O)O 0fe5be7bfc8869063d90d71b6c2cf0e5 [0,1,1,0,0,0|2,0,0]=4 245 B12R0.202 CCOCCCN(CC)CC(=O)O 31c253507d626e6700203649c96e0ce8 [0,1,1,0,0,0|2,0,0]=4 246 B12R0.202 CCOCCNC(CC)CC(=O)O 780ce2c8b5ba1beb5b850589cbb5325e [0,1,1,0,0,0|2,0,0]=4 247 B12R0.202 CCOCCNC(CO)CC(=O)O de5144960e703d253f5a812d52dda624 [0,1,1,0,0,0|2,0,0]=4 248 B12R0.202 CCOCCN[C@@H](CC)CC(=O)O 5777e6f9141443ccde1a1d362d551f58 [0,1,1,0,0,0|2,0,0]=4 249 B12R0.202 CCOCCN[C@@H](CO)CC(=O)O 9968d5dc1d6d31ba46b526d576b70032 [0,1,1,0,0,0|2,0,0]=4 250 B12R0.202 CCOCCN[C@H](CC)CC(=O)O e3f5bb27f586dcd1f8e9614c29050a67 [0,1,1,0,0,0|2,0,0]=4 251 B12R0.202 CCOCCN[C@H](CO)CC(=O)O 0295896a92b48def00b8877f913e56d9 [0,1,1,0,0,0|2,0,0]=4 252 B12R0.202 CCOCCOC(CC)CC(=O)O fe7e2511ef88e320f19f3e3dbebc96b3 [0,1,1,0,0,0|2,0,0]=4 253 B12R0.202 CCOCCO[C@@H](CC)CC(=O)O 087c2f7832ac58431dcbb51303b781d4 [0,1,1,0,0,0|2,0,0]=4 254 B12R0.202 CCOCCO[C@H](CC)CC(=O)O 385382397b7ad885e22666e07cc4b982 [0,1,1,0,0,0|2,0,0]=4 255 B12R0.202 CCSCCNC(CC)CC(=O)O ac57795be7f48e709e29f602bf095fc1 [0,1,1,0,0,0|2,0,0]=4 256 B12R0.202 CCSCCNC(CO)CC(=O)O 06545c542998afb8a29ccd9ce72dcf05 [0,1,1,0,0,0|2,0,0]=4 257 B12R0.202 CCSCCN[C@@H](CC)CC(=O)O 18478e260a36dc87b82f2b283c61a947 [0,1,1,0,0,0|2,0,0]=4 258 B12R0.202 CCSCCN[C@@H](CO)CC(=O)O b1de9ba0ba5de8e1f0a2e1a8db655db1 [0,1,1,0,0,0|2,0,0]=4 259 B12R0.202 CCSCCN[C@H](CC)CC(=O)O 133d0cf70d58ffb9f86976335840b052 [0,1,1,0,0,0|2,0,0]=4 260 B12R0.202 CCSCCN[C@H](CO)CC(=O)O 1f95414d83219ce4a7fe4d3aaa16e2a9 [0,1,1,0,0,0|2,0,0]=4 261 B12R0.202 CCSCCOC(CC)CC(=O)O 6c6d41c358b683d7e324667f2ffac24b [0,1,1,0,0,0|2,0,0]=4 262 B12R0.202 CCSCCO[C@@H](CC)CC(=O)O 503c36eaf1c1645859c016fbe53468a5 [0,1,1,0,0,0|2,0,0]=4 263 B12R0.202 CCSCCO[C@H](CC)CC(=O)O ffbef8fcf00a4968e8a7e9863adaaade [0,1,1,0,0,0|2,0,0]=4 264 B12R0.202 CC[C@@H](CC(=O)O)NCCCCF 5390735c7dc8510f67f6e8725a1f104d [0,1,1,0,0,0|2,0,0]=4 265 B12R0.202 CC[C@@H](CC(=O)O)NCCCCO a35181eaee25679f9a265fec38930d55 [0,1,1,0,0,0|2,0,0]=4 266 B12R0.202 CC[C@@H](CC(=O)O)NCCCOC 1ef5bf44007b4d52cdb3abaaa2dde970 [0,1,1,0,0,0|2,0,0]=4 267 B12R0.202 CC[C@@H](CC(=O)O)NCCCSC d2dd1bc6966f3a0a8f5636871e627d53 [0,1,1,0,0,0|2,0,0]=4 268 B12R0.202 CC[C@@H](CC(=O)O)OCCCCF 4435e9aff26e8469af2bda4ab2da894b [0,1,1,0,0,0|2,0,0]=4 269 B12R0.202 CC[C@@H](CC(=O)O)OCCCOC c01b67c94a4e2ed340b50cab8b7a747c [0,1,1,0,0,0|2,0,0]=4 270 B12R0.202 CC[C@@H](CC(=O)O)OCCCSC 0a04f37e7fd5a8f142b07a579adfdf3b [0,1,1,0,0,0|2,0,0]=4 271 B12R0.202 CC[C@H](CC(=O)O)NCCCCF 6fab21fb333be5ea847c8d41d8d78045 [0,1,1,0,0,0|2,0,0]=4 272 B12R0.202 CC[C@H](CC(=O)O)NCCCCO 01f92e10d05837010778209eb15592bf [0,1,1,0,0,0|2,0,0]=4 273 B12R0.202 CC[C@H](CC(=O)O)NCCCOC db3c6413ffe2875c2e69683e664c91cc [0,1,1,0,0,0|2,0,0]=4 274 B12R0.202 CC[C@H](CC(=O)O)NCCCSC 7f1a09ef512cd9917bfc90705b3f8a52 [0,1,1,0,0,0|2,0,0]=4 275 B12R0.202 CC[C@H](CC(=O)O)OCCCCF ed7788da7eb3fcff7ab817a97154bc12 [0,1,1,0,0,0|2,0,0]=4 276 B12R0.202 CC[C@H](CC(=O)O)OCCCOC fec6acb73e6426e39933b61161ffb0a7 [0,1,1,0,0,0|2,0,0]=4 277 B12R0.202 CC[C@H](CC(=O)O)OCCCSC cf45ea5a800375d5ca914f2501e5230f [0,1,1,0,0,0|2,0,0]=4 278 B12R0.202 COCCCNC(CO)CC(=O)O aacb73bf8011317b2eb80c400f175696 [0,1,1,0,0,0|2,0,0]=4 279 B12R0.202 COCCCN[C@@H](CO)CC(=O)O 99955e77ee72c46bbe0e48b22553cc4c [0,1,1,0,0,0|2,0,0]=4 280 B12R0.202 COCCCN[C@H](CO)CC(=O)O 99d88e8bdbe8c2df0994d6998226d80d [0,1,1,0,0,0|2,0,0]=4 281 B12R0.202 CSCCCNC(CO)CC(=O)O c3c6701bf5a273d2ee154702f984062c [0,1,1,0,0,0|2,0,0]=4 282 B12R0.202 CSCCCN[C@@H](CO)CC(=O)O df08723340b816c49e8c20c17234538e [0,1,1,0,0,0|2,0,0]=4 283 B12R0.202 CSCCCN[C@H](CO)CC(=O)O 6875bfecacb0535c14b5eb002db42d03 [0,1,1,0,0,0|2,0,0]=4 284 B12R0.202 O=C(O)CC(CO)NCCCCF faa402c975227c0a12a6e28d4ef353cd [0,1,1,0,0,0|2,0,0]=4 285 B12R0.202 O=C(O)CC(CO)NCCCCO 64e3192fd7df87cd94d9fa7ac7ce4a79 [0,1,1,0,0,0|2,0,0]=4 286 B12R0.202 O=C(O)C[C@@H](CO)NCCCCF 56203438728b65ec1de89ae08b664c65 [0,1,1,0,0,0|2,0,0]=4 287 B12R0.202 O=C(O)C[C@@H](CO)NCCCCO 0941797cf66cd59916554e3a8c591416 [0,1,1,0,0,0|2,0,0]=4 288 B12R0.202 O=C(O)C[C@H](CO)NCCCCF 4c0f52e99d2676ce355617a86c506c5f [0,1,1,0,0,0|2,0,0]=4 289 B12R0.202 O=C(O)C[C@H](CO)NCCCCO 2af9f10d88cdd08378abeaef864ab8cf [0,1,1,0,0,0|2,0,0]=4 290 B12R0.256 C#CCN(CCCCC)CC(=O)O 6c3fe688ddcdbaf7457d1102a599c259 [0,1,1,0,0,0|2,0,0]=4 291 B12R0.256 C=CCC(CC(=O)O)NCCCC 0a38fe760f8d483d4df31a4b7cd3e8c8 [0,1,1,0,0,0|2,0,0]=4 292 B12R0.256 CCCCCC(CC(=O)O)NCC 0586674f716ab2276da4cc0aae6afa68 [0,1,1,0,0,0|1,0,0]=3 293 B12R0.256 CCCCCC(CC(=O)O)NCF abf7e91862e2b28f4bf282c6af6c6687 [0,1,1,0,0,0|1,0,0]=3 294 B12R0.256 CCCCCC(CC(=O)O)NCO 08e051a63859c276040fd2e47df58e41 [0,1,1,0,0,0|1,0,0]=3 295 B12R0.256 CCCCCC(CC(=O)O)OCC 84594205dc9d78f7534a68eda4832aec [0,1,1,0,0,0|1,0,0]=3 296 B12R0.256 CCCCCC(CC(=O)O)OCF 7c54ae951b31c8036798206b7e8d786b [0,1,1,0,0,0|1,0,0]=3 297 B12R0.256 CCCCCN(CCC)CC(=O)O 070ee017367ba6370cf9f5ecef227142 [0,1,1,0,0,0|2,0,0]=4 298 B12R0.256 CCCCCN(CCO)CC(=O)O 19dcf7447410e924a15688904c4e2efe [0,1,1,0,0,0|2,0,0]=4 299 B12R0.256 CCCCC[C@@H](CC(=O)O)OCC 27a1669700d6c45ec87745ad77cd0b69 [0,1,1,0,0,0|1,0,0]=3 300 B12R0.256 CCCCC[C@@H](CC(=O)O)OCF c4b1e44b961f711ef054a508eced7f01 [0,1,1,0,0,0|1,0,0]=3 301 B12R0.256 CCCCC[C@H](CC(=O)O)OCC e2c6c03e300fb137018544cce8a20016 [0,1,1,0,0,0|1,0,0]=3 302 B12R0.256 CCCCC[C@H](CC(=O)O)OCF e48d4f25bf7bf908dc8bdf8fa7bc2223 [0,1,1,0,0,0|1,0,0]=3 303 B12R0.256 CCCCNC(CCC)CC(=O)O 69a911656acd4bd9e7687677a36162b1 [0,1,1,0,0,0|2,0,0]=4 304 B12R0.256 CCCCN[C@@H](CCC)CC(=O)O 3975660eb45b08e550bc7d9f36058e00 [0,1,1,0,0,0|2,0,0]=4 305 B12R0.256 CCCCOC(CCC)CC(=O)O b2bb8746ede1f76f61a8a16eb9e320f8 [0,1,1,0,0,0|2,0,0]=4 306 B12R0.322 CCC(C)CCN(CC)CC(=O)O ade0741023b8238f285a0eb1fb76dda1 [0,1,1,0,0,0|2,0,0]=4 307 B12R0.322 CCC(C)CNC(CC)CC(=O)O 0b945e053abe7b3acd7d98e7965d89de [0,1,1,0,0,0|2,0,0]=4 308 B12R0.322 CCC(C)CNC(CO)CC(=O)O d521fdc241a7875ede41c33dc197d4ef [0,1,1,0,0,0|2,0,0]=4 309 B12R0.322 CCC(C)CN[C@@H](CC)CC(=O)O b12db7f937488b4222baf6041d736dc5 [0,1,1,0,0,0|2,0,0]=4 310 B12R0.322 CCC(C)CN[C@@H](CO)CC(=O)O ee1ba968145083998fe19e5c759f3af1 [0,1,1,0,0,0|2,0,0]=4 311 B12R0.322 CCC(C)CN[C@H](CC)CC(=O)O 634d13de399eb52977d1a5f4cf7994a6 [0,1,1,0,0,0|2,0,0]=4 312 B12R0.322 CCC(C)CN[C@H](CO)CC(=O)O d96fe5280efcdc5250b9d473c7e82481 [0,1,1,0,0,0|2,0,0]=4 313 B12R0.322 CCC(C)COC(CC)CC(=O)O 918c78b37a924bc1b8aa320a86a159bd [0,1,1,0,0,0|2,0,0]=4 314 B12R0.322 CCC(C)CO[C@@H](CC)CC(=O)O ded068b42a961de8f16f6c01990af29d [0,1,1,0,0,0|2,0,0]=4 315 B12R0.322 CCC(C)CO[C@H](CC)CC(=O)O af165f05e772f3b8be70d2961fed9861 [0,1,1,0,0,0|2,0,0]=4 316 B12R0.322 CCC(CC(=O)O)NC[C@@H](C)CC bb3dd0b7d7f2eaa6d25ce68876ec136b [0,1,1,0,0,0|2,0,0]=4 317 B12R0.322 CCC(CC(=O)O)NC[C@H](C)CC c7963518ca9eb72f7b84821971567cc7 [0,1,1,0,0,0|2,0,0]=4 318 B12R0.322 CCC(CC(=O)O)OC[C@@H](C)CC fe6a6834432e823b3aa8a64532e95c1b [0,1,1,0,0,0|2,0,0]=4 319 B12R0.322 CCC(CC(=O)O)OC[C@H](C)CC eab6ed30d4701fdc015dcafa7b0cd0fc [0,1,1,0,0,0|2,0,0]=4 320 B12R0.322 CCC(O)CNC(CC)CC(=O)O fcf32042f824ee5dfd3645b5ed421576 [0,1,1,0,0,0|2,0,0]=4 321 B12R0.322 CCC(O)CNC(CO)CC(=O)O 830d18e8adc81b1c434296b1df5f58de [0,1,1,0,0,0|2,0,0]=4 322 B12R0.322 CCC(O)CN[C@@H](CC)CC(=O)O e67f53d3ebb28686dab985ff2aed435b [0,1,1,0,0,0|2,0,0]=4 323 B12R0.322 CCC(O)CN[C@@H](CO)CC(=O)O b71661b50acc08ea5930a3722cb1c7d8 [0,1,1,0,0,0|2,0,0]=4 324 B12R0.322 CCC(O)CN[C@H](CC)CC(=O)O aabe9b12fd9186a9018ee52ca1007f2e [0,1,1,0,0,0|2,0,0]=4 325 B12R0.322 CCC(O)CN[C@H](CO)CC(=O)O 641e404cd466fcc478129c30675cc21d [0,1,1,0,0,0|2,0,0]=4 326 B12R0.322 CC[C@@H](C)CNC(CO)CC(=O)O 77d130fbe07fede96635a21927f7386f [0,1,1,0,0,0|2,0,0]=4 327 B12R0.322 CC[C@@H](C)CN[C@@H](CC)CC(=O)O e3ed4647440ec4a9bedfc8c30e5d71d3 [0,1,1,0,0,0|2,0,0]=4 328 B12R0.322 CC[C@@H](C)CN[C@@H](CO)CC(=O)O fa447dead5d44d53b0cce84a0d32d8b4 [0,1,1,0,0,0|2,0,0]=4 329 B12R0.322 CC[C@@H](C)CN[C@H](CC)CC(=O)O 627af8c90e6fbcf85d71c36b9a1965ae [0,1,1,0,0,0|2,0,0]=4 330 B12R0.322 CC[C@@H](C)CN[C@H](CO)CC(=O)O e224b33a328fdbeba48e7bbeae38ad96 [0,1,1,0,0,0|2,0,0]=4 331 B12R0.322 CC[C@@H](C)CO[C@@H](CC)CC(=O)O 1d1ef73ee631b1b3536a62fce9069a87 [0,1,1,0,0,0|2,0,0]=4 332 B12R0.322 CC[C@@H](C)CO[C@H](CC)CC(=O)O 97d9ac73c48efaa23501e666cb68f9cd [0,1,1,0,0,0|2,0,0]=4 333 B12R0.322 CC[C@H](C)CNC(CO)CC(=O)O 3aae66eadd23349f9501e7a882e5a8a1 [0,1,1,0,0,0|2,0,0]=4 334 B12R0.322 CC[C@H](C)CN[C@@H](CC)CC(=O)O b4261c8ec99b1f82664950df561b5c86 [0,1,1,0,0,0|2,0,0]=4 335 B12R0.322 CC[C@H](C)CN[C@@H](CO)CC(=O)O 555f15d82018aeb028f40908825cbbcd [0,1,1,0,0,0|2,0,0]=4 336 B12R0.322 CC[C@H](C)CN[C@H](CC)CC(=O)O 42673d7a8e80cbed91b1511b488b10e1 [0,1,1,0,0,0|2,0,0]=4 337 B12R0.322 CC[C@H](C)CN[C@H](CO)CC(=O)O 91d68917286cab3b25710c23ac399771 [0,1,1,0,0,0|2,0,0]=4 338 B12R0.322 CC[C@H](C)CO[C@@H](CC)CC(=O)O c2b282cf8d08905726719c1fe4c72826 [0,1,1,0,0,0|2,0,0]=4 339 B12R0.322 CC[C@H](C)CO[C@H](CC)CC(=O)O 2bd045cf32349cea5db39fb91dd7526d [0,1,1,0,0,0|2,0,0]=4 340 B12R0.535 CC(C)CCNC(CO)CC(=O)O b2182a764a9fbbc3043efa16002dda79 [0,1,1,0,0,0|2,0,0]=4 341 B12R0.535 CC(C)CCN[C@@H](CO)CC(=O)O fc951a7d81c21658c0740481b8a8111e [0,1,1,0,0,0|2,0,0]=4 342 B12R0.535 CC(C)CCN[C@H](CO)CC(=O)O 68af13cbcac20c8ad2e0f5d0839d4d06 [0,1,1,0,0,0|2,0,0]=4 343 B12R0.535 CC(O)CCNC(CO)CC(=O)O e575059eaa377f07043a2095afe13c20 [0,1,1,0,0,0|2,0,0]=4 344 B12R0.535 CC(O)CCN[C@@H](CO)CC(=O)O 5e3289a21136ee3f830e411c8d1c129c [0,1,1,0,0,0|2,0,0]=4 345 B12R0.535 CC(O)CCN[C@H](CO)CC(=O)O fc27bb093edda896aece0e0e204054c7 [0,1,1,0,0,0|2,0,0]=4 346 B12R0.535 CCC(CC(=O)O)NCCC(C)C ec6555d9bd1dec83a5f1c68e85af4e64 [0,1,1,0,0,0|2,0,0]=4 347 B12R0.535 CCC(CC(=O)O)NCCC(C)O b51ef39d3cb7a1c033654387f9aba4f5 [0,1,1,0,0,0|2,0,0]=4 348 B12R0.535 CCC(CC(=O)O)OCCC(C)C 67686829986e0bcb390938989746d6aa [0,1,1,0,0,0|2,0,0]=4 349 B12R0.535 CCN(CCCC(C)C)CC(=O)O 2535779cda4d549ee146de4606730c3c [0,1,1,0,0,0|2,0,0]=4 350 B12R0.535 CCN(CCCC(C)O)CC(=O)O d2f2952848d38554860f0ef7a6e0e2c6 [0,1,1,0,0,0|2,0,0]=4 351 B12R0.535 CC[C@@H](CC(=O)O)NCCC(C)C 2cc4afcc3c1970bd82427f64e37c77ef [0,1,1,0,0,0|2,0,0]=4 352 B12R0.535 CC[C@@H](CC(=O)O)NCCC(C)O 5f639da0bc0d7eb1cc8733f1057bb273 [0,1,1,0,0,0|2,0,0]=4 353 B12R0.535 CC[C@@H](CC(=O)O)OCCC(C)C 60a12e1604ee7a51341c625b2bbdde04 [0,1,1,0,0,0|2,0,0]=4 354 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)C c99128b464832c6e159d90da5ec57b21 [0,1,1,0,0,0|2,0,0]=4 355 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)O 808c210589e37e3910a513acf900bddd [0,1,1,0,0,0|2,0,0]=4 356 B12R0.535 CC[C@H](CC(=O)O)OCCC(C)C ef15a9681354b86883b372c12eac2a75 [0,1,1,0,0,0|2,0,0]=4 357 B12R1.3524 C#CC(=O)NC1(CCCCC1)C b88a5a4c9c2756477056bced925a6c66 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.3524 C=CC(=O)NC1(CCCCC1)C a36aca2b233e1d736752faedaa6125b3 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.3524 CC1(CCCCC1)NC(=O)C=O 17fc812f0f6dd99864dbba14f3b3568d [1,1,0,0,0,0|1,0,1]=4 360 B12R1.3524 CC1(CCCCC1)NC(=O)CF 2d577df9ec8403b48227052297cedbcc [1,1,0,0,0,0|2,0,0]=4 361 B12R1.3524 CCC(=O)NC1(CCCCC1)C 42c58f6cd8f1b7735a2ffd14621ac605 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.2279 C#CC1(CCCCC1)NCC=O 2bb869c8b4e55799e7210370533633e9 [1,1,0,0,0,0|1,0,1]=4 363 B12R1.2279 C=CCNC1(CCCCC1)CO 820b3cedd0d3e593ce7488f0c8cff3e7 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.2279 CCC1(CCOCC1)CNC=O 5728415f93592fd834cb285fe03ba312 [1,1,0,0,0,0|2,0,0]=4 365 B12R1.2279 CCC1(CCOCC1)NCC=O c29726c81430e1baca31d5de4a68ebba [1,1,0,0,0,0|2,0,0]=4 366 B12R1.2279 N#CC1(CCCCC1)NCC=O 0a224ef474ae386f89468ad871ba1f18 [1,1,0,0,0,0|0,0,2]=4 367 B12R1.2279 O=CCNC1(CCCCC1)CO 62d1518a25ffa7063c30c5af566dda69 [1,1,0,0,0,0|1,0,0]=3 368 B12R1.2279 O=CCNC1(CCOCC1)CO c0aa297cf10d46e6e069799efc18e6fe [1,1,0,0,0,0|2,0,0]=4 369 B12R1.2279 O=CCNC1(CCSCC1)CO 8ccbb83a55c7cfd0e093e120cde6f246 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.2279 O=CNCC1(CCCCC1)CO 6c175122e7c3b35bbfdb0e4e7b1c393d [1,1,0,0,0,0|1,0,0]=3 371 B12R1.2279 O=CNCC1(CCOCC1)CO 8c2161294bdd2493ddc2f2903dbb1ad4 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.2279 OCCNC1(CCCCC1)CO ba89aa0e192a3445fbfe21012db46e5a [1,1,0,0,0,0|1,0,1]=4 373 B12R1.2279 OCNCC1(CCCCC1)CO 3cebbe699cd9f56b8fabfe9df1b9beae [1,1,0,0,0,0|1,0,1]=4 374 B12R1.2627 NC(=O)C1(CCCCC1)NC=O a7ae64e5446cb1772d005a2f5f13dad0 [1,1,0,0,0,0|1,0,1]=4 375 B12R1.2629 CCNC1(CCCCC1)CCO 12bb4e1d6d93d56a1cd68dbc6248cdbe [1,1,0,0,0,0|1,0,1]=4 376 B12R1.2629 OCCC1(CCCCC1)NCF bc0b88b493b3e69fd1247d5e9a33fc8b [1,1,0,0,0,0|1,0,1]=4 377 B12R1.2629 OCCC1(CCCCC1)NCO 1baea7edfd162f9510a032c4da7a8aed [1,1,0,0,0,0|1,0,1]=4 378 B12R1.2612 O=C(O)CC1(CCOC1)NCO 08773a0df14b79fe4a24f5855e6494b9 [0,1,0,0,1,0|2,0,0]=4 379 B12R1.3534 O=C(CO)NC1(CCCC1)CO 28e3a953159f7586fa43dab75d28b1af [0,1,0,0,1,0|2,0,0]=4 380 B14R1.9640 CN1CCC(CC1)(CO)NCC(=O)O b8f1644e54ffd5103f69d2f1229695e6 [0,1,0,0,0,1|2,0,0]=4 381 B14R1.11377 CN(CC(=O)O)C1(CCCCC1)C#N 158100ba4aa23ae8e36e492c5fa39ac5 [0,1,0,0,0,1|0,0,2]=4 382 B14R1.11377 CN(CC(=O)O)C1(CCCOC1)CO 1e0873b2f0d0138b66f347e8435d20d4 [0,1,0,0,0,1|2,0,0]=4 383 B14R1.11378 CC(=O)C(C)NC1(CCCCC1)CO 246412e12c0c9130c2c9b6e65c5f955d [0,1,0,0,0,1|2,0,0]=4 384 B14R1.11378 CC(NC1(CCCCC1)CO)C(=O)N e525648a8d876f4b8cf4fc9a2eaf7b15 [0,1,0,0,0,1|2,0,0]=4 385 B14R1.11378 CC(NC1(CCSCC1)CO)C(=O)O e365f11bd2b2ace3ae0de2e6e01bff85 [0,1,0,0,0,1|2,0,0]=4 386 B14R1.11378 C[C@@H](NC1(CCCCC1)CO)C(=O)N 36255b4474702d02ae385b596706fed7 [0,1,0,0,0,1|2,0,0]=4 387 B14R1.11378 C[C@@H](NC1(CCSCC1)CO)C(=O)O 29fb508a9057cbec5d840fb7f124d696 [0,1,0,0,0,1|2,0,0]=4 388 B14R1.11378 C[C@H](NC1(CCCCC1)CO)C(=O)N 4d47c3649922cfebef06aa250627bba0 [0,1,0,0,0,1|2,0,0]=4 389 B14R1.11378 C[C@H](NC1(CCSCC1)CO)C(=O)O 152447904ac0cd03a378e74a95527410 [0,1,0,0,0,1|2,0,0]=4 390 B14R1.12777 NC(=O)CNC1(CCCCC1)CCO 6d6747403f2716e1c5a8bedec4505e90 [0,1,0,0,0,1|2,0,0]=4 391 B14R1.12777 O=C(O)CNC1(CCCCC1)CCO 0b790920ed1c10566be7cc2cbbfcf761 [0,1,0,0,0,1|1,0,0]=3 392 B14R1.16404 NC(=O)C1(CCCCC1)NCC(=O)O 878b5b56ace88c3bcd9bf88a1dd38dac [0,1,0,0,0,1|0,0,1]=3 393 B14R1.16404 NC(=O)C1(CCOCC1)NCC(=O)O 72c1877c531eddd7cf18a044e5e17105 [0,1,0,0,0,1|1,0,1]=4 394 B14R1.16404 NC(=O)C1(CCSCC1)NCC(=O)O 95d4a5fe55cf154f56c4d0655b9e0cfc [0,1,0,0,0,1|1,0,1]=4 395 B14R1.16404 NC(=O)CNC1(CCCCC1)C(=O)N 93472f4dabb4b2378aefae5b5f64cbbe [0,1,0,0,0,1|1,0,1]=4 396 B14R1.16404 O=C(O)CNC1(CCCCC1)C(=O)O df78d5fcacc5f1955f3e06650dd42873 [0,1,0,0,0,1|1,0,1]=4 397 B14R1.19612 C#CC1(CCCCC1)NCC(=O)CO 003db4f0f4559f0af277a5ffe4f3a9ab [0,1,0,0,0,1|1,0,1]=4 398 B14R1.19612 C#CC1(CCCCC1)NCC(=O)OC 53a407fa5480aba24371be4e32ae4a75 [0,1,0,0,0,1|1,0,1]=4 399 B14R1.19612 C=C(CNC1(CCCCC1)CO)OC 4dedf3294479ec01158bccf5e92ed1b1 [0,1,0,0,0,1|2,0,0]=4 400 B14R1.19612 C=C(CO)CNC1(CCCCC1)CO 0be9ef79d79b8e9ec80b86d4011ae3e4 [0,1,0,0,0,1|2,0,0]=4 401 B14R1.19612 C=CC(=O)NCC1(CCCCC1)CO 0064d813f264150bde01556696929093 [0,1,0,0,0,1|2,0,0]=4 402 B14R1.19612 CCC(=O)CNC1(CCCCC1)CO 6cb6bb8e95cce8242514da80b56356ad [0,1,0,0,0,1|2,0,0]=4 403 B14R1.19612 CCC(=O)NCC1(CCCCC1)CO b8536d72a2aec21e5736341e5cd1d387 [0,1,0,0,0,1|2,0,0]=4 404 B14R1.19612 CCC1(CCOCC1)CNC(=O)CO b58fc5036d77e0019a78a503bf14ec4c [0,1,0,0,0,1|2,0,0]=4 405 B14R1.19612 CCC1(CCOCC1)NCC(=O)CO a125b9f42fef7687b52c2de9ea195c67 [0,1,0,0,0,1|2,0,0]=4 406 B14R1.19612 CCC1(CCOCC1)NCC(=O)OC df475df583c48037d8ee846b5387fbfa [0,1,0,0,0,1|2,0,0]=4 407 B14R1.19612 CNC(=O)CNC1(CCCCC1)CO b4efcda447593b065103ef95843a72a8 [0,1,0,0,0,1|2,0,0]=4 408 B14R1.19612 COC(=O)CNC1(CCCCC1)C#N 48a4a55b82baf57a1c75a5102bd4cdf4 [0,1,0,0,0,1|0,0,2]=4 409 B14R1.19612 COC(=O)CNC1(CCCCC1)CO 74ba0b14d5241de7fcd380d10d58f5c9 [0,1,0,0,0,1|1,0,0]=3 410 B14R1.19612 COC(=O)CNC1(CCOCC1)CO 4c476fc6ba7c3486ad40b328506594d5 [0,1,0,0,0,1|2,0,0]=4 411 B14R1.19612 COC(=O)CNC1(CCSCC1)CO a40d61779c94214dfb38cf4aa19474c0 [0,1,0,0,0,1|2,0,0]=4 412 B14R1.19612 N#CC1(CCCCC1)NCC(=O)CO 520a77f744277ebdf97bb0d93d097e9f [0,1,0,0,0,1|0,0,2]=4 413 B14R1.19612 O=C(CO)CNC1(CCCCC1)CO aaf26198a85bc114b8bbc37544c967e8 [0,1,0,0,0,1|1,0,0]=3 414 B14R1.19612 O=C(CO)CNC1(CCOCC1)CO dab415f4dba8dcf52f69abbe6fa22f09 [0,1,0,0,0,1|2,0,0]=4 415 B14R1.19612 O=C(CO)CNC1(CCSCC1)CO d52561401a0efb2a37bc9cf3a1b32d7f [0,1,0,0,0,1|2,0,0]=4 416 B14R1.19612 O=C(CO)NCC1(CCCCC1)CO e0c48c6e25825da2c2ddc13f760f2f02 [0,1,0,0,0,1|1,0,0]=3 417 B14R1.19612 O=CC(=O)NCC1(CCCCC1)CO 86fb82c8ba0e78319df2be34ecb164ce [0,1,0,0,0,1|1,0,1]=4 418 B14R1.31797 O=C(CO)NC1(CCCCCC1)CO a3b04d88ca4cc6560fd340e18e776745 [0,1,0,0,0,1|2,0,0]=4 419 B14R1.17346 CCNC1(CCCCC1)CC(=O)OC 13e90f33b003330a82200ceb8ccb1b73 [0,2,0,0,0,0|1,0,0]=3 420 B14R1.17346 CCNC1(CCOCC1)CC(=O)OC 251d037ad516e4af01026ad38aaf1f95 [0,2,0,0,0,0|2,0,0]=4 421 B14R1.17346 CCNC1(CCSCC1)CC(=O)OC 8137ab142b02565f95f5f12c4a74b270 [0,2,0,0,0,0|2,0,0]=4 422 B14R1.17346 COC(=O)CC1(CCCCC1)NC=O 10ff6881946733fe6373756872382902 [0,2,0,0,0,0|1,0,1]=4 423 B14R1.17346 COC(=O)CC1(CCCCC1)NCF 2759ab9a23645a3f79608c0104096881 [0,2,0,0,0,0|1,0,0]=3 424 B14R1.17346 COC(=O)CC1(CCCCC1)NCO 9f91cefb1232ddc224f646f9adf82edc [0,2,0,0,0,0|1,0,0]=3 425 B14R1.17346 COC(=O)CC1(CCOCC1)NCF fec160b1a2577c69526105b7ecd9bae9 [0,2,0,0,0,0|2,0,0]=4 426 B14R1.17346 COC(=O)CC1(CCOCC1)NCO 50a46103bf13f62d683707c7acae9192 [0,2,0,0,0,0|2,0,0]=4 427 B14R1.17346 COC(=O)CC1(CCSCC1)NCF 4618a8b6bc9ffb8c9dc70f9af15eddb3 [0,2,0,0,0,0|2,0,0]=4 428 B14R1.17346 COC(=O)CC1(CCSCC1)NCO f76e1b5f19e68b9ba95e46255d36a54b [0,2,0,0,0,0|2,0,0]=4 429 B14R1.19189 COCC(=O)NC1(CCCCC1)CO 294723f2ba629b0e84431e80bac8df65 [0,2,0,0,0,0|2,0,0]=4 430 B14R1.19189 NOCC(=O)NC1(CCCCC1)CO 9971f104bc011193a074ec27e044997a [0,2,0,0,0,0|2,0,0]=4 431 B14R1.19189 O=C(CCO)NC1(CCCCC1)CO 1ac86f27482a323ba6ac805d3696b902 [0,2,0,0,0,0|2,0,0]=4 432 B14R1.20277 NC(=O)C1(CCCCC1)NC(=O)CO 710e0c4f8fdea8ce70f045e71fe9c04e [0,2,0,0,0,0|1,0,1]=4 433 B14R1.10691 C#CCNC1(CCCCC1)CC(=O)O 4467f75bc26a00058b4ae194188b586e [0,2,0,0,0,0|1,0,0]=3 434 B14R1.10691 C#CCNC1(CCOCC1)CC(=O)O 666cccbefbe3e2ff5886ac5b8e5cf0d8 [0,2,0,0,0,0|2,0,0]=4 435 B14R1.10691 C#CCNC1(CCSCC1)CC(=O)O 5da273fcca26dd1295d78724c49d0e10 [0,2,0,0,0,0|2,0,0]=4 436 B14R1.10691 C=CCNC1(CCCCC1)CC(=O)O 9ab7f180938977595348682953364aaa [0,2,0,0,0,0|1,0,0]=3 437 B14R1.10691 C=CCNC1(CCOCC1)CC(=O)O 9b29f0c833fed5cd50fc5d87f00b08bd [0,2,0,0,0,0|2,0,0]=4 438 B14R1.10691 C=CCNC1(CCSCC1)CC(=O)O af6cc9b945acb18ddc847dfe7106483e [0,2,0,0,0,0|2,0,0]=4 439 B14R1.10691 CCCNC1(CCCCC1)CC(=O)O 59b27d0c110067a0ac6941c41ce194c9 [0,2,0,0,0,0|1,0,0]=3 440 B14R1.10691 CCCNC1(CCOCC1)CC(=O)O 908d60bd96ef3f07f52c6c958ad968cc [0,2,0,0,0,0|2,0,0]=4 441 B14R1.10691 CCCNC1(CCSCC1)CC(=O)O ac8e2c8fa2e0294cfdef9ccb31362556 [0,2,0,0,0,0|2,0,0]=4 442 B14R1.10691 CCNCC1(CCCCC1)CC(=O)O d5d79e0a90916e1e43fc970eb615bda9 [0,2,0,0,0,0|0,0,0]=2 443 B14R1.10691 COCNC1(CCCCC1)CC(=O)O d155f1e1813663bc5e6a4f7efebd0d56 [0,2,0,0,0,0|1,0,0]=3 444 B14R1.10691 COCNC1(CCOCC1)CC(=O)O 599fd1503a733df707d6c76eb8d01d32 [0,2,0,0,0,0|2,0,0]=4 445 B14R1.10691 CSCNC1(CCCCC1)CC(=O)O 17309983ec36ecced32b6d69fa5aa84f [0,2,0,0,0,0|1,0,0]=3 446 B14R1.10691 CSCNC1(CCOCC1)CC(=O)O eea2082ed044004a62584fd08a9aed55 [0,2,0,0,0,0|2,0,0]=4 447 B14R1.10691 N#CCNC1(CCCCC1)CC(=O)O 07133849add22fe642088673fcaa7963 [0,2,0,0,0,0|0,0,1]=3 448 B14R1.10691 N#CCNC1(CCOCC1)CC(=O)O c062ec630a472e41c82ed54408e08c94 [0,2,0,0,0,0|1,0,1]=4 449 B14R1.10691 N#CCNC1(CCSCC1)CC(=O)O 09c0365f40e0951078506ff543f5d3ba [0,2,0,0,0,0|1,0,1]=4 450 B14R1.10691 O=C(O)CC1(CCCCC1)CNCF 2cf4908179c01c21f1face2ae0f75a72 [0,2,0,0,0,0|0,0,0]=2 451 B14R1.10691 O=C(O)CC1(CCCCC1)CNCO 8a22ded7e11a939afd5736f92a0fd7f4 [0,2,0,0,0,0|0,0,0]=2 452 B14R1.10691 O=C(O)CC1(CCCCC1)NCCF 8801651591e034085b65530ad0b5cec2 [0,2,0,0,0,0|1,0,0]=3 453 B14R1.10691 O=C(O)CC1(CCCCC1)NCCO 46859edbb984f94abdee66aa055c6493 [0,2,0,0,0,0|1,0,0]=3 454 B14R1.10691 O=C(O)CC1(CCCCC1)NCCS 6a830b71ba1d20dce79d12deb9754fda [0,2,0,0,0,0|1,0,0]=3 455 B14R1.10691 O=C(O)CC1(CCOCC1)NCCF 00bd77fdd5c279c5f8fc3ed34435c9a1 [0,2,0,0,0,0|2,0,0]=4 456 B14R1.10691 O=C(O)CC1(CCOCC1)NCCO 09dbf0cd3da4e3219289c8f46a051e7d [0,2,0,0,0,0|2,0,0]=4 457 B14R1.10691 O=C(O)CC1(CCOCC1)NCCS 13bf3d0e2cde34b4a119eef8d668eb10 [0,2,0,0,0,0|2,0,0]=4 458 B14R1.10691 O=C(O)CC1(CCSCC1)NCCF a91efbdd7ab512dbd25fb9055991a5ee [0,2,0,0,0,0|2,0,0]=4 459 B14R1.10691 O=C(O)CC1(CCSCC1)NCCO 8544cde2db46d1da24adf080783a1cec [0,2,0,0,0,0|2,0,0]=4 460 B14R1.10691 O=C(O)CC1(CCSCC1)NCCS 2578418708458cc83a71ba445a8bf70c [0,2,0,0,0,0|2,0,0]=4 461 B14R1.10691 O=CCNC1(CCCCC1)CC(=O)O cd0da0b08ccb050d1ff8d716c0e3e0bf [0,2,0,0,0,0|1,0,0]=3 462 B14R1.10691 O=CCNC1(CCOCC1)CC(=O)O f06f25dbbe21a9786604b7531d993032 [0,2,0,0,0,0|2,0,0]=4 463 B14R1.10691 O=CCNC1(CCSCC1)CC(=O)O ebb19ead933026991462bd44cc16d2ef [0,2,0,0,0,0|2,0,0]=4 464 B14R1.16771 CC(C)NC1(CCCCC1)CC(=O)O b318c06c04b5dbe1d9d10a68e24fd678 [0,2,0,0,0,0|1,0,0]=3 465 B14R1.16771 CC(C)NC1(CCOCC1)CC(=O)O 8f6a9bd62af977209bc650dd4cf0ea47 [0,2,0,0,0,0|2,0,0]=4 466 B14R1.16771 CC(C)NC1(CCSCC1)CC(=O)O 087506b474936c603c98bdbe60fb8f54 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.4 CCC1CCN(CC1)CC(=O)O 2afe6cd1ddf6ab4f1b3381d0d6b26df8 [0,0,1,1,0,0|2,0,0]=4 468 B12R1.4 CCN1CCC(CC1)CC(=O)O 5738fbbcdd5ce188ca20d8c999895bad [0,0,1,1,0,0|2,0,0]=4 469 B12R1.28 CCCCCN1CCOC(=O)C1 7b59bebb6d79e62d43b56b265264a7f8 [0,0,1,1,0,0|2,0,0]=4 470 B12R1.182 CCCC1CCN(C1)CC(=O)O b3223d50a46fdb8f941267aacdfd07ec [0,0,1,1,0,0|2,0,0]=4 471 B12R1.182 CCCN1CCC(C1)CC(=O)O c05849b5b9a60dabbb5ea41045b140ca [0,0,1,1,0,0|2,0,0]=4 472 B12R1.182 CCCN1CC[C@@H](C1)CC(=O)O 4eae89dd0897878dd0b639861aa68aef [0,0,1,1,0,0|2,0,0]=4 473 B12R1.182 CCCN1CC[C@H](C1)CC(=O)O e53f343a3d080dc7cd96a98adee47284 [0,0,1,1,0,0|2,0,0]=4 474 B12R1.182 CCO[C@@H]1CC[C@H](C1)CC(=O)O a67aabb9386024f7ccec3c7f6b372ff2 [0,0,1,1,0,0|2,0,0]=4 475 B12R1.182 CCO[C@H]1CC[C@H](C1)CC(=O)O 7dd33b33c882abfa4d50b12263a98542 [0,0,1,1,0,0|2,0,0]=4 476 B12R1.210 CC1CCCCCN1CC(=O)O 32a1dc2217e57877c80e95a979b40d16 [0,0,1,1,0,0|2,0,0]=4 477 B12R1.324 CCCCN1CCC1CC(=O)O 9616ded4178e8bca4e7aea6f8208d945 [0,0,1,1,0,0|2,0,0]=4 478 B12R1.405 CCN1CCCCCC1C(=O)O 28d0ecd95a31d5490656ce91b7ffad18 [0,0,1,1,0,0|2,0,0]=4 479 B12R1.405 CCN1CCCCC[C@@H]1C(=O)O 1a87655fa87733b28a46795465e1469d [0,0,1,1,0,0|2,0,0]=4 480 B12R1.405 CCN1CCCCC[C@H]1C(=O)O fbb1612037de3d2034737b6a6c708a12 [0,0,1,1,0,0|2,0,0]=4 481 B12R1.405 O=C(O)C1CCCCCN1CF 90179ab866331e793378794bfacd4d7d [0,0,1,1,0,0|2,0,0]=4 482 B12R1.405 O=C(O)C1CCCCCN1CO 551f428f8af6787ec64511784d37316c [0,0,1,1,0,0|2,0,0]=4 483 B12R1.405 O=C(O)[C@@H]1CCCCCN1CF 1c1f5cf0f9211fe24434d4c2a8937469 [0,0,1,1,0,0|2,0,0]=4 484 B12R1.405 O=C(O)[C@@H]1CCCCCN1CO a1707529d818563288a489327873d1d2 [0,0,1,1,0,0|2,0,0]=4 485 B12R1.405 O=C(O)[C@H]1CCCCCN1CF 8364586d3c3e15746a34506e4d7b21ec [0,0,1,1,0,0|2,0,0]=4 486 B12R1.405 O=C(O)[C@H]1CCCCCN1CO cfe3323652ae8854ea5458f4fe249b61 [0,0,1,1,0,0|2,0,0]=4 487 B12R1.476 CCN(CC(=O)O)C1CCCC1 7261ce09b1e2367513307fdffaadd611 [0,0,1,1,0,0|2,0,0]=4 488 B12R1.476 O=C(O)CN(CF)C1CCCC1 cdfdfa4b6979ef1b965b029bc8abecbf [0,0,1,1,0,0|2,0,0]=4 489 B12R1.476 O=C(O)CN(CO)C1CCCC1 ccb16bcb6f5f626aa85571d254a62f3e [0,0,1,1,0,0|2,0,0]=4 490 B12R1.522 CCCCCN1CCC1C(=O)O 868ef6ee956f72f47502d06d7f48c294 [0,0,1,1,0,0|2,0,0]=4 491 B12R1.522 CCCCCN1CC[C@@H]1C(=O)O 527dfc21ae8859936644a484936e3ac3 [0,0,1,1,0,0|2,0,0]=4 492 B12R1.522 CCCCCN1CC[C@H]1C(=O)O e660d12881171deded76f2ed1f507815 [0,0,1,1,0,0|2,0,0]=4 493 B12R1.522 CCCCN[C@H]1CC[C@H]1C(=O)O 0718609899241007041aea70c5170d05 [0,0,1,1,0,0|2,0,0]=4 494 B12R1.522 CCCCOC1CCC1C(=O)O 31fb62568f257eeb7251cdcb2723daa8 [0,0,1,1,0,0|2,0,0]=4 495 B12R1.522 CCCCO[C@H]1CC[C@@H]1C(=O)O be56f78fbaef715fca1975af1b02085e [0,0,1,1,0,0|2,0,0]=4 496 B12R1.1020 CC1CCCN(CC1)CC(=O)O b67d0fe2e23cf8c59d486832604bdfd9 [0,0,1,1,0,0|2,0,0]=4 497 B12R1.1152 CCCN1CC([C@H]1C(=O)O)CC 82c3221c5680e94bee80364dbdfaa14f [0,0,1,1,0,0|2,0,0]=4 498 B12R1.1392 O=C(O)CN1CCCCCCC1 b947e4536c1423929c78c658665cc4c1 [0,0,1,1,0,0|2,0,0]=4 499 B12R1.2015 CCCOCC1(CC1)CC(=O)O 69aa29b5505e3ad888a0c91e5792452d [0,0,1,1,0,0|2,0,0]=4 500 B12R1.2099 CCC(CC(=O)O)NC1CCC1 a5254cdac5320507a6430329ff2d0101 [0,0,1,1,0,0|2,0,0]=4 501 B12R1.2099 CCC(CC(=O)O)OC1CCC1 5f739847463f54bbccc583d8f62b5709 [0,0,1,1,0,0|2,0,0]=4 502 B12R1.2099 CCN(CC(=O)O)CC1CCC1 c700d07ad6b02460cf41689605f52335 [0,0,1,1,0,0|2,0,0]=4 503 B12R1.2099 CC[C@@H](CC(=O)O)NC1CCC1 33c654ea5a3c86f99f3b2ef8bd7836cc [0,0,1,1,0,0|2,0,0]=4 504 B12R1.2099 CC[C@@H](CC(=O)O)OC1CCC1 bc862b335f7edb048047a6c6d5b5492a [0,0,1,1,0,0|2,0,0]=4 505 B12R1.2099 CC[C@H](CC(=O)O)NC1CCC1 fdb2b4001554a9d62c00919746a62e43 [0,0,1,1,0,0|2,0,0]=4 506 B12R1.2099 CC[C@H](CC(=O)O)OC1CCC1 37c0656abf7e9f1380b9e7f67e9bd36d [0,0,1,1,0,0|2,0,0]=4 507 B12R1.2099 O=C(O)CC(CO)NC1CCC1 42441dbb40d6014cd2d961387f40d2fe [0,0,1,1,0,0|2,0,0]=4 508 B12R1.2099 O=C(O)C[C@@H](CO)NC1CCC1 b6b9a49ecc6d97a0b8b4ded99b448621 [0,0,1,1,0,0|2,0,0]=4 509 B12R1.2099 O=C(O)C[C@H](CO)NC1CCC1 b787812308fc959ee697803c1f0bbc3e [0,0,1,1,0,0|2,0,0]=4 510 B12R1.2104 CCC(CC(=O)O)NCC1CC1 eeb7b75a12404bde21167ec467f4ee07 [0,0,1,1,0,0|2,0,0]=4 511 B12R1.2104 CCC(CC(=O)O)OCC1CC1 a2e6838e9bdf741aba4cef16302fee17 [0,0,1,1,0,0|2,0,0]=4 512 B12R1.2104 CCN(CCC1CC1)CC(=O)O 8e43c93840343fe5e932a2fb152a9fdb [0,0,1,1,0,0|2,0,0]=4 513 B12R1.2104 CC[C@@H](CC(=O)O)NCC1CC1 f36bb5774c0035a185f374c839799785 [0,0,1,1,0,0|2,0,0]=4 514 B12R1.2104 CC[C@@H](CC(=O)O)OCC1CC1 044b42ff958db64c02312058c159f13e [0,0,1,1,0,0|2,0,0]=4 515 B12R1.2104 CC[C@H](CC(=O)O)NCC1CC1 c877d2d8c6dd6fd6fef6b23157f877c8 [0,0,1,1,0,0|2,0,0]=4 516 B12R1.2104 CC[C@H](CC(=O)O)OCC1CC1 2f9375e0a70d0a1b0e71865567e1b260 [0,0,1,1,0,0|2,0,0]=4 517 B12R1.2104 O=C(O)CC(CO)NCC1CC1 9c1195a3436e750b3ec45339c749b282 [0,0,1,1,0,0|2,0,0]=4 518 B12R1.2104 O=C(O)C[C@@H](CO)NCC1CC1 0bca751a0aec819cd5fff814a5ee39a8 [0,0,1,1,0,0|2,0,0]=4 519 B12R1.2104 O=C(O)C[C@H](CO)NCC1CC1 761d7732e7507b298dec0e6ca72203db [0,0,1,1,0,0|2,0,0]=4 520 B12R1.1774 CCCNC1(CCC1)CC(=O)O 693766372efe913ee5010fc6b3b4a7c0 [0,0,1,1,0,0|2,0,0]=4 521 B12R1.1774 CCCNC1(COC1)CC(=O)O 6ef2a1b6c0065084f5bab1d4836a12bb [0,0,1,1,0,0|2,0,0]=4 522 B12R1.1774 CCNCC1(CCC1)CC(=O)O 474f4c6056ffa978a6468fca41edbe9c [0,0,1,1,0,0|2,0,0]=4 523 B12R2.5724 O=CNC12CCC(CC1)CC2 212a3655cde8d835695767126a9ff1ae [1,0,0,1,0,0|2,0,0]=4 524 B14R2.766 NC(=O)CN1CCC12CCCCC2 03546585dca2f564177acece0388d044 [0,0,0,1,0,1|2,0,0]=4 525 B14R2.766 O=C(O)CN1CCC12CCCCC2 378d1e89e8ab20532527bddd7c7e9637 [0,0,0,1,0,1|1,0,0]=3 526 B14R2.766 O=C(O)CN1CCC12CCCOC2 ab4e7c0516a9ce46e2b1c8ac13ee81bd [0,0,0,1,0,1|2,0,0]=4 527 B14R2.766 O=C(O)CN1CCC12CCOCC2 aa6b88a830ba7be976397ed44147bd93 [0,0,0,1,0,1|2,0,0]=4 528 B14R2.31228 CC(=O)N1CCC2(C1)CCCCC2 c6c4b0356005d9d06ebc1d821c5897ca [0,0,0,1,0,1|2,0,0]=4 529 B14R2.62027 NC(=O)CNC12CCC(CC1)CC2 aa213b1e901519157d16c56fa653aa92 [0,0,0,1,0,1|2,0,0]=4 530 B14R2.62027 O=C(O)CNC12CCC(CC1)CC2 ecc27edd0d2290857bd29382c8514f5c [0,0,0,1,0,1|1,0,0]=3 531 B14R2.66478 O=C(CO)NC12CCC(CC1)CC2 419383d18878fdce05a4a1bd7ec21472 [0,1,0,1,0,0|2,0,0]=4 532 B10R0.86 CCCCNC(CC)C(=O)O cfca1c9e3ea778edda886fbfac44c654 [0,0,1,0,1,0|2,0,0]=4 533 B10R0.86 CCCCNC(CCl)C(=O)O dbe527970db6d5be5939804abe51f77f [0,0,1,0,1,0|2,0,0]=4 534 B10R0.86 CCCCNC(CF)C(=O)O acc40e362fb74ab8a6e6e7e3be70f5d6 [0,0,1,0,1,0|2,0,0]=4 535 B10R0.86 CCCCNC(CO)C(=O)O 6177fbb975204d2fe26714ff8f3c0306 [0,0,1,0,1,0|2,0,0]=4 536 B10R0.86 CCCCNC(CS)C(=O)O bb7ff839c02d24e84e2be4b6cf8dca34 [0,0,1,0,1,0|2,0,0]=4 537 B10R0.86 CCCCN[C@@H](CC)C(=O)O 930ca8da4e7c5ae2754a07f3a4814639 [0,0,1,0,1,0|2,0,0]=4 538 B10R0.86 CCCCN[C@@H](CCl)C(=O)O 24b5eab8e9877c1d41dbae66d9e9c495 [0,0,1,0,1,0|2,0,0]=4 539 B10R0.86 CCCCN[C@@H](CO)C(=O)O 75af49424cb2a37a11371a8cdf207183 [0,0,1,0,1,0|2,0,0]=4 540 B10R0.86 CCCCN[C@@H](CS)C(=O)O 7e2c69db592308969b373b1303e454ce [0,0,1,0,1,0|2,0,0]=4 541 B10R0.86 CCCCN[C@H](CC)C(=O)O 984c4215ac999f4ae79146bb9ff08103 [0,0,1,0,1,0|2,0,0]=4 542 B10R0.86 CCCCN[C@H](CCl)C(=O)O 6d56dfceb1fefadaf38dcdfd3e6ec7f1 [0,0,1,0,1,0|2,0,0]=4 543 B10R0.86 CCCCN[C@H](CO)C(=O)O 32ea0f4744c564e578bb7b59edb125f9 [0,0,1,0,1,0|2,0,0]=4 544 B10R0.86 CCCCN[C@H](CS)C(=O)O 7b92fa1059944ba7da1644bbc82acb8e [0,0,1,0,1,0|2,0,0]=4 545 B10R0.86 CCCCOC(CC)C(=O)O 02c74ec6bc64a918c09890438800137f [0,0,1,0,1,0|2,0,0]=4 546 B10R0.86 CCCCOC(CF)C(=O)O fc99a06e383a687cbc2e0de387396567 [0,0,1,0,1,0|2,0,0]=4 547 B10R0.86 CCCCO[C@@H](CC)C(=O)O 29d354ef6b46737ae3172c4a019d5dc2 [0,0,1,0,1,0|2,0,0]=4 548 B10R0.86 CCCCO[C@H](CC)C(=O)O 7fa13262dea5ed1da5ad15467b8332ee [0,0,1,0,1,0|2,0,0]=4 549 B10R0.86 CCCCO[C@H](CF)C(=O)O 08e2bfcc3d21c9ca32a2bc7079b041bd [0,0,1,0,1,0|2,0,0]=4 550 B10R0.86 CCCNC[C@H](CC)C(=O)O 6a574743cffa1b13d9ca61537185a6ff [0,0,1,0,1,0|2,0,0]=4 551 B10R0.86 CCCNC[C@H](CO)C(=O)O 2767c9bde17c345993aaa281729aa2cf [0,0,1,0,1,0|2,0,0]=4 552 B10R0.126 CCNC(CC)(CC)C(=O)O 7d2e88b8c81497293f074978456ebf94 [0,0,1,0,1,0|2,0,0]=4 553 B10R0.133 CCCNC(C)(CC)C(=O)O 891534bebdc088d6819d97bebd465144 [0,0,1,0,1,0|2,0,0]=4 554 B10R0.133 CCCNC(C)(CO)C(=O)O 5bb0bcb644765189ff035002eddbd3f9 [0,0,1,0,1,0|2,0,0]=4 555 B10R0.133 CCCN[C@@](C)(CC)C(=O)O 8e4f288fc33f61ffd88aee819bbefc91 [0,0,1,0,1,0|2,0,0]=4 556 B10R0.133 CCCN[C@@](C)(CO)C(=O)O 8e95fb4c36ea6cfa8bdee874d2b9d7a8 [0,0,1,0,1,0|2,0,0]=4 557 B10R0.133 CCCN[C@](C)(CC)C(=O)O e395b33a46bc68b7491c792c1f238a53 [0,0,1,0,1,0|2,0,0]=4 558 B10R0.133 CCCN[C@](C)(CO)C(=O)O c00aa10d05d40c3e3084371af97e3e23 [0,0,1,0,1,0|2,0,0]=4 559 B10R0.133 CCNCC(C)(CC)C(=O)O e0d0fc613ba4643507b0a7874e1cc58a [0,0,1,0,1,0|2,0,0]=4 560 B10R1.529 O=CNC1(CCCC1)CO 087fff5fa3901e31a034a6850d4b1c4b [1,0,0,0,1,0|2,0,0]=4 561 B12R0.124 C#CC(CCCCC)OCC(=O)O 4c0cfe1abb17787ef3452eaad32a7b9f [0,0,1,0,0,1|1,0,1]=4 562 B12R0.124 C#C[C@H](CCCCC)OCC(=O)O a8f47bbb16d65e7c6761e0a1ee013cec [0,0,1,0,0,1|1,0,1]=4 563 B12R0.124 C=CC(CCCCC)OCC(=O)O 4117b7e22624dfa40d794c104c6b79a1 [0,0,1,0,0,1|1,0,1]=4 564 B12R0.124 C=C[C@H](CCCCC)OCC(=O)O b6e0d14a526cff21c8718e2b268e487c [0,0,1,0,0,1|1,0,1]=4 565 B12R0.124 CCCCCC(CC)OCC(=O)N da02338f10ada0946d6bded919aa32a3 [0,0,1,0,0,1|2,0,0]=4 566 B12R0.124 CCCCCC(CC)OCC(=O)O 45690892f9e75f113fa6661cafdb815c [0,0,1,0,0,1|1,0,0]=3 567 B12R0.124 CCCCC[C@H](CC)OCC(=O)N 8718ea932c9b832c9667889634e159e4 [0,0,1,0,0,1|2,0,0]=4 568 B12R0.124 CCCCC[C@H](CC)OCC(=O)O 09970a9013bdc3227bdbc47490c2d06e [0,0,1,0,0,1|1,0,0]=3 569 B12R0.305 CCCC(C#N)(CC)NCC(=O)O 3e03c4b59237c119a5c4886c0a2ae6f3 [0,0,1,0,0,1|0,0,2]=4 570 B12R1.3110 C=C(Br)CNC1(CCCCC1)C 3fb43bd2081bf8a51ed05ed034f90f67 [1,0,0,0,0,1|2,0,0]=4 571 B12R1.3110 C=C(C)CNC1(CCCCC1)C edde38466eb4abb2efd6d5c754f78dac [1,0,0,0,0,1|2,0,0]=4 572 B12R1.3110 C=C(Cl)CNC1(CCCCC1)C 52aa38f641a9b07eb4ecc04f360b375e [1,0,0,0,0,1|2,0,0]=4 573 B12R1.3110 C=C(F)CNC1(CCCCC1)C d07614c172b8151e2a1f80bac5a7f6ad [1,0,0,0,0,1|2,0,0]=4 574 B12R1.3110 CC(=O)NCC1(CCCCC1)C 769cc6b9269c48dedf5106ea23b8fd98 [1,0,0,0,0,1|1,0,0]=3 575 B12R1.3110 CC(=O)NCC1(CCCCC1)O 54370ba576527a8715ea8ee9a6afa552 [1,0,0,0,0,1|2,0,0]=4 576 B12R1.3110 CC(=O)NCC1(CCOCC1)C e076d8736a88bbc7c7a9a274bc00110f [1,0,0,0,0,1|2,0,0]=4 577 B12R1.3110 CC(O)CNC1(CCCCC1)C a3b88aeaf2d4565ea27a917b42781540 [1,0,0,0,0,1|1,0,1]=4 578 B12R1.3110 CC1(CCCCC1)NCC(=O)N 52b4772e215981aaa54003eae18925c2 [1,0,0,0,0,1|1,0,0]=3 579 B12R1.3110 CC1(CCCCC1)NCC(=O)O ba23cb527f4df979b38c4829a0641704 [1,0,0,0,0,1|0,0,0]=2 580 B12R1.3110 CC1(CCCCC1)NC[N+](=O)[O-] 39017a6d8fcc602fea550221f3436c74 [1,0,0,0,0,1|1,0,1]=4 581 B12R1.3110 CC1(CCOCC1)NCC(=O)N 826d466de6b8817235fd9a60b7c5e703 [1,0,0,0,0,1|2,0,0]=4 582 B12R1.3110 CC1(CCOCC1)NCC(=O)O d121f59f5b4fd47c09f9e10578676c04 [1,0,0,0,0,1|1,0,0]=3 583 B12R1.3110 C[C@@H](O)CNC1(CCCCC1)C 4bc7f6c7fa936b5b594a9dc2d2513f9a [1,0,0,0,0,1|1,0,1]=4 584 B12R1.3110 C[C@H](O)CNC1(CCCCC1)C 95e81392fd8924601332068594cc4ce7 [1,0,0,0,0,1|1,0,1]=4 585 B12R1.3236 O=CNC1(CCCCCC1)CO c18d0478f9f8e404ed644a5167c4d3fc [1,0,0,0,0,1|2,0,0]=4 586 B12R1.3845 CC(=O)NCC1(CCCC1)CO 48ba0d60696e4bc78927be418a69af00 [0,0,0,0,1,1|2,0,0]=4 587 B12R1.3845 N#CC1(CCCC1)NCC(=O)O 41521b6cfd47fc2c072c989ecf763542 [0,0,0,0,1,1|0,0,2]=4 588 B12R1.3845 NC(=O)CNC1(CCCC1)CO 1db41a31e8edc687a04512cb470b6513 [0,0,0,0,1,1|2,0,0]=4 589 B12R1.3845 O=C(O)CNC1(CCCC1)CO 71c382855c1439a5d29da53cbe6cade7 [0,0,0,0,1,1|1,0,0]=3 590 B12R1.3845 O=C(O)CNC1(CCOC1)CO 010f75c995aa837341e4d0ac9aa466a2 [0,0,0,0,1,1|2,0,0]=4 591 B12R1.3845 O=C(O)CNC1(CCSC1)CO 0ab5d0fcf2cb71441af8e170fb861206 [0,0,0,0,1,1|2,0,0]=4 592 B14R1.11375 N#CC1(CCCCCC1)NCC(=O)O da9711b6922d7883a4c3138b6452e960 [0,0,0,0,0,2|0,0,2]=4 593 B14R1.11375 NC(=O)CNC1(CCCCCC1)CO be468204af3a89ad3f6ca918e4f37979 [0,0,0,0,0,2|2,0,0]=4 594 B14R1.11375 O=C(O)CNC1(CCCCCC1)CO 0541e442cef88fa10eb69c5a33955be8 [0,0,0,0,0,2|1,0,0]=3 595 B14R1.11379 C#CC1(CCCCC1)NCCC(=O)O 0ddc6808bee96cce653e18e1effc8bfa [0,0,0,0,0,2|1,0,1]=4 596 B14R1.11379 CC(=O)CCNC1(CCCCC1)CO 954b524ed1806f5f034c0139d2557714 [0,0,0,0,0,2|2,0,0]=4 597 B14R1.11379 CC(=O)OCNC1(CCCCC1)CO c1df3dffdaec759b80b794405909a803 [0,0,0,0,0,2|2,0,0]=4 598 B14R1.11379 CCC1(CCOCC1)CNCC(=O)O 54fba97a561871a37d1fd4eb89d9b322 [0,0,0,0,0,2|2,0,0]=4 599 B14R1.11379 CCC1(CCOCC1)COCC(=O)O 55e48f71f71fbfaa0b76eab1edc49f72 [0,0,0,0,0,2|2,0,0]=4 600 B14R1.11379 COC1(CCCCC1)COCC(=O)O 47c6e5b9c91bbbc8fdb7f0de2efc19fb [0,0,0,0,0,2|2,0,0]=4 601 B14R1.11379 N#CC1(CCCCC1)CNCC(=O)O a09af10615fe9047ad55e55bb3c7f9b7 [0,0,0,0,0,2|0,0,2]=4 602 B14R1.11379 N#CC1(CCCCC1)COCC(=O)O 9c4f9225f9e5b5d8c44dda0e10689e77 [0,0,0,0,0,2|0,0,2]=4 603 B14R1.11379 N#CC1(CCCCC1)NCCC(=O)O e3bc0d25206012669bfbb855daa2e904 [0,0,0,0,0,2|0,0,2]=4 604 B14R1.11379 NC(=O)CCNC1(CCCCC1)CO 864712cc5f164c3d7b40267ac8ea7630 [0,0,0,0,0,2|2,0,0]=4 605 B14R1.11379 NC(=O)CNCC1(CCCCC1)CO 48329e2435ab3f7d77146ba835278181 [0,0,0,0,0,2|2,0,0]=4 606 B14R1.11379 O=C(O)CCNC1(CCCCC1)CO 68d52003330002de98a93ac0bf2cff3c [0,0,0,0,0,2|1,0,0]=3 607 B14R1.11379 O=C(O)CCNC1(CCOCC1)CO 6a4ca72a25426d3c0e7b94fa1a290cf5 [0,0,0,0,0,2|2,0,0]=4 608 B14R1.11379 O=C(O)CCNC1(CCSCC1)CO 8df499cdec9afee7dd6b638f8f0ab4f4 [0,0,0,0,0,2|2,0,0]=4 609 B14R1.11379 O=C(O)CNCC1(CCCCC1)CO 0b4fdb1ff8a4124194624d753768210f [0,0,0,0,0,2|1,0,0]=3 610 B14R1.11379 O=C(O)CNCC1(CCOCC1)CO af616ba15fea921e65d01ad7808b9089 [0,0,0,0,0,2|2,0,0]=4