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12 B10R0.97 CC(=O)CNC/C=C/C(=O)O 869d6d403d78bd31f27e4a0b98b8386c [0,0,0,0,0,1|1,0,2]=4 13 B10R0.97 CC(=O)CNCC=CC(=O)O dc06b39e899cf13865982b455a5a88f8 [0,0,0,0,0,1|1,0,2]=4 14 B10R0.97 CC(=O)COC/C=C/C(=O)O 835f45a21d795f6f03b834d1c3c8181a [0,0,0,0,0,1|1,0,2]=4 15 B10R0.97 CC(=O)COCC=CC(=O)O e024a95447692641114060d8acf3a83e [0,0,0,0,0,1|1,0,2]=4 16 B10R0.97 NC(=O)CNC/C=C/C(=O)O a1064d1d17704c9212b06270a2c124f9 [0,0,0,0,0,1|1,0,2]=4 17 B10R0.97 NC(=O)CNCC=CC(=O)O e66faec9b8869dbe159b517ca957a9ff [0,0,0,0,0,1|1,0,2]=4 18 B10R0.97 NC(=O)COC/C=C/C(=O)O cf8102346b3bdb49c52c885a66911a5d [0,0,0,0,0,1|1,0,2]=4 19 B10R0.97 NC(=O)COCC=CC(=O)O 9574547012564a70c95b94cff7d40192 [0,0,0,0,0,1|1,0,2]=4 20 B10R0.97 O=C(O)/C=C/CNCC(=O)O cb005170e7f0eb5105cca39b95ffc189 [0,0,0,0,0,1|0,0,2]=3 21 B10R0.97 O=C(O)/C=C/COCC(=O)O c4fb78200e3acb15b7aaa79e98eaa66d [0,0,0,0,0,1|0,0,2]=3 22 B10R0.97 O=C(O)/C=C/COCS(=O)O 1913b9983b907256ff795150dd1cce3e [0,0,0,0,0,1|1,0,2]=4 23 B10R0.97 O=C(O)C=CCNCC(=O)O 3a217ffe9c5333db0f25ef8c6a8b2fcc [0,0,0,0,0,1|0,0,2]=3 24 B10R0.97 O=C(O)C=CCOCC(=O)O 701e85d772d723b7d73f5abd67202892 [0,0,0,0,0,1|0,0,2]=3 25 B10R0.97 O=C(O)C=CCOCS(=O)O 2076748ffc136e47e18df990e596a447 [0,0,0,0,0,1|1,0,2]=4 26 B9R0.2 O=C/C=C/COCC(=O)O 284385ade96d614298a0526c494c4c74 [1,1,0,0,0,0|0,0,2]=4 27 B9R0.2 O=CCNC/C=C/C(=O)O 0560a7cc80ce2066b7203fc1ceaf2098 [1,1,0,0,0,0|0,0,2]=4 28 B9R0.2 O=CCNCC=CC(=O)O 0850b99cd9ada6f722f3655e709b2c39 [1,1,0,0,0,0|0,0,2]=4 29 B9R0.2 O=CCOC/C=C/C(=O)O 08e2e473a556aa712c3a07a614d12573 [1,1,0,0,0,0|0,0,2]=4 30 B9R0.2 O=CCOCC=CC(=O)O 57edcebe4ea005db580dd8770b232662 [1,1,0,0,0,0|0,0,2]=4 31 B11R0.6 CN(C/C=C/C(=O)O)CC(=O)O 3ebfbd327ee4ac37c23ea2f3cbb14bfb [0,1,0,0,0,1|0,0,2]=4 32 B11R0.6 CN(CC=CC(=O)O)CC(=O)O 57ef7397f6156f121efdc44af52efcff [0,1,0,0,0,1|0,0,2]=4 33 B11R0.29 CC(NC/C=C/C(=O)O)C(=O)O 994b3496fd83bb562df2bd4b7eaec56d [0,1,0,0,0,1|0,0,2]=4 34 B11R0.29 CC(NCC=CC(=O)O)C(=O)O 9bb7d918dff566ad1ab9e9cb035ddd36 [0,1,0,0,0,1|0,0,2]=4 35 B11R0.29 CC(OC/C=C/C(=O)O)C(=O)O bbd50baa585af5e47c0d283b89994c12 [0,1,0,0,0,1|0,0,2]=4 36 B11R0.29 CC(OCC=CC(=O)O)C(=O)O 8f15f5d3410438e1e19d19020053d879 [0,1,0,0,0,1|0,0,2]=4 37 B11R0.29 C[C@@H](NC/C=C/C(=O)O)C(=O)O f379db60164ad7d9ac4f966d08e8bf04 [0,1,0,0,0,1|0,0,2]=4 38 B11R0.29 C[C@@H](NCC=CC(=O)O)C(=O)O 8110c5d0e2b25a0b99938ac213e68874 [0,1,0,0,0,1|0,0,2]=4 39 B11R0.29 C[C@@H](OC/C=C/C(=O)O)C(=O)O c9a42229dbb262456c4ae88c2158c9b3 [0,1,0,0,0,1|0,0,2]=4 40 B11R0.29 C[C@@H](OCC=CC(=O)O)C(=O)O 1600695dfea728589e7fef3c567e3e72 [0,1,0,0,0,1|0,0,2]=4 41 B11R0.29 C[C@H](NC/C=C/C(=O)O)C(=O)O 65c3d54c0ad445a33ca447ce0fd640e5 [0,1,0,0,0,1|0,0,2]=4 42 B11R0.29 C[C@H](NCC=CC(=O)O)C(=O)O 1b665a8fa0950ef26d3a7307947a189b [0,1,0,0,0,1|0,0,2]=4 43 B11R0.29 C[C@H](OC/C=C/C(=O)O)C(=O)O f2df4550d075615956d7bffcdb2762f6 [0,1,0,0,0,1|0,0,2]=4 44 B11R0.29 C[C@H](OCC=CC(=O)O)C(=O)O e7ae3181654bb9883f332791d4fb6acd [0,1,0,0,0,1|0,0,2]=4 45 B11R0.29 O=C(O)/C=C/CNC(F)C(=O)O 853659fd1b02f388e4b343f4fb8ce208 [0,1,0,0,0,1|0,0,2]=4 46 B11R0.29 O=C(O)/C=C/CNC(O)C(=O)O c0485040335df8416d18af6734eb8048 [0,1,0,0,0,1|0,0,2]=4 47 B11R0.29 O=C(O)/C=C/CN[C@@H](F)C(=O)O 01b78c99c7ffe78bbcce7d542daafc09 [0,1,0,0,0,1|0,0,2]=4 48 B11R0.29 O=C(O)C=CCNC(F)C(=O)O 0e3a79e172af69995712cfba72ad22c3 [0,1,0,0,0,1|0,0,2]=4 49 B11R0.29 O=C(O)C=CCNC(O)C(=O)O 5b6288dabf115139cd0a476d179cdd8f [0,1,0,0,0,1|0,0,2]=4 50 B11R0.29 O=C(O)C=CCN[C@@H](F)C(=O)O 277dbfd1db8dbc960afab8478ab97c64 [0,1,0,0,0,1|0,0,2]=4 51 B11R0.111 COC(=O)/C=C/CNCC(=O)O 6cf8db2a955526d28a7f480516ddc330 [0,1,0,0,0,1|0,0,2]=4 52 B11R0.111 COC(=O)/C=C/COCC(=O)O ef52f3c51cdb115c65ab93cbf768d34a [0,1,0,0,0,1|0,0,2]=4 53 B11R0.111 COC(=O)/C=C\CNCC(=O)O 36405ed0af3bd8045d497fdb7512501d [0,1,0,0,0,1|0,0,2]=4 54 B11R0.111 COC(=O)/C=C\COCC(=O)O 4f13fd3ab51c713259a1092e6b412575 [0,1,0,0,0,1|0,0,2]=4 55 B11R0.111 COC(=O)C=CCNCC(=O)O f438f4578e9d39c2b492442658e154ad [0,1,0,0,0,1|0,0,2]=4 56 B11R0.111 COC(=O)C=CCOCC(=O)O 7b6d99dd35554b18f89eea97558d7c57 [0,1,0,0,0,1|0,0,2]=4 57 B11R0.111 COC(=O)CNC/C=C/C(=O)O 346cbb7da68bed590cfa6d78e7f351af [0,1,0,0,0,1|0,0,2]=4 58 B11R0.111 COC(=O)CNCC=CC(=O)O 22af4cabd9c6c6a529c2190fe9b20892 [0,1,0,0,0,1|0,0,2]=4 59 B11R0.111 COC(=O)COC/C=C/C(=O)O 27ce7755ba697200cab942ba4a269311 [0,1,0,0,0,1|0,0,2]=4 60 B11R0.111 COC(=O)COCC=CC(=O)O ad6f9016f57d5b8724ddac2ef821edb4 [0,1,0,0,0,1|0,0,2]=4 61 B11R0.111 O=C(O)/C=C/CNCC(=O)CO c0658a2cb39bfbdbc4d209d11e0212a0 [0,1,0,0,0,1|0,0,2]=4 62 B11R0.111 O=C(O)/C=C/CNCC(=O)NO 81f434bdf284485671e5ee85f2012bce [0,1,0,0,0,1|0,0,2]=4 63 B11R0.111 O=C(O)C=CCNCC(=O)CO 1cba3976b0f8ad689956e18a30b5c54a [0,1,0,0,0,1|0,0,2]=4 64 B11R0.111 O=C(O)C=CCNCC(=O)NO caa4bf6617d5e2073d6b3f52e9b6e61b [0,1,0,0,0,1|0,0,2]=4 65 B11R0.145 COC(=O)C(=COCC(=O)O)F bd319af4a3f687cd9ff0d99fd47b6355 [0,2,0,0,0,0|1,0,1]=4 66 B11R1.75 O=C(O)COC1C=CC(=O)O1 a4ecbc3f5931882d8d98263e61b04ae5 [0,0,0,1,0,1|0,0,2]=4 67 B11R1.157 CC(=O)Nc1cccc(c1)O 83fd7000bcb1a1edfb73e9c940896bf1 [0,0,0,1,0,1|2,0,0]=4 68 B11R1.157 CC(=O)Nc1cccc(n1)O 5ecee8ed76a0d083278d7db13fb46dc5 [0,0,0,1,0,1|2,0,0]=4 69 B11R0.30 O=C(O)/C=C/CNCCC(=O)O d7b88726473fe450968678a71d6a536d [0,0,0,0,0,2|0,0,2]=4 70 B11R0.30 O=C(O)/C=C/COCCC(=O)O 5fea27ee94860ec4de1691b9cb91b88e [0,0,0,0,0,2|0,0,2]=4 71 B11R0.30 O=C(O)C=CCNCCC(=O)O 2a63b0fe2b56dead4b51feed46af3d0d [0,0,0,0,0,2|0,0,2]=4 72 B11R0.30 O=C(O)C=CCOCCC(=O)O b208670f6d22c4a949a1ea1a0be1ced4 [0,0,0,0,0,2|0,0,2]=4