0 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [0,0,0,0,0,0|1,0,3]=4 6 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 CC/C=C/CNC#N f23fe182dd452d354a78f38e4f70e513 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.1 CC/C=C/COCF 76630f28c8771d1514152e0bc31d0edd [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 CC/C=C\COCF 3d97aa00a2febfaa2982d62e55da7929 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [0,0,0,0,0,0|1,0,3]=4 13 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [0,0,0,0,0,0|1,0,3]=4 15 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,0,0,0,0,0|1,0,3]=4 17 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,0,0,0,0,0|1,0,3]=4 18 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,0,0,0,0,0|1,0,3]=4 19 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,0,0,0,0,0|1,0,3]=4 22 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,0,0,0,0,0|1,0,3]=4 23 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,0,0,0,0,0|2,0,2]=4 24 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,0,0,0,0,0|2,0,2]=4 25 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,0,0,0,0,0|1,0,3]=4 27 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [0,0,0,0,0,0|1,0,1]=2 28 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,0,0,0,0,0|1,0,3]=4 29 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,0,0,0,0,0|2,0,2]=4 32 B7R0.1 O=C/C=C/COCF 0572373d316df776b943df80b0e38288 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,0,0,0,0,0|1,0,2]=4 36 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,0,0,0,0|1,0,2]=4 37 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,0,0,0,0,0|1,0,2]=4 41 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,0,0,0,0|1,0,2]=4 43 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,0,0,0,0|1,0,2]=4 48 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.1 CC/C=C/C(=O)NC#N 5fcd53bd7975d09374cbc0f6f74808a7 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.1 CC/C=C\C(=O)NC#N f1a830ca314db23c72fad4524cded454 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.1 CCC=CC(=O)NC#N 13a299c95ac87aed2620de8b5e416dd2 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.1 CCCC(=S)OCC=O ee4851bc3a15d19c33e510859df38ec8 [0,1,0,0,0,0|1,0,2]=4 53 B8R0.1 CCCNC(=O)/C=C/Br b1926545c958d5233a97eecf45ef793e [0,1,0,0,0,0|2,0,1]=4 54 B8R0.1 CCCNC(=O)/C=C/Cl 5d162a53ee9ec44c434e097fbf07a78f [0,1,0,0,0,0|2,0,1]=4 55 B8R0.1 CCCNC(=O)/C=C/I 3483980bedd76cbe76739ba0675640bc [0,1,0,0,0,0|2,0,1]=4 56 B8R0.1 CCCNC(=O)/C=C\Br 587063f23ad9d4c3a5d091f654b1750d [0,1,0,0,0,0|2,0,1]=4 57 B8R0.1 CCCNC(=O)/C=C\Cl 80de1f593bb86fc7c7361689ff20ca17 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.1 CCCNC(=O)/C=C\I 30402a319b6c1a883b3206c216549b42 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.1 CCCNC(=O)C=CBr 9a0fc142e13566664539b9eb458de53b [0,1,0,0,0,0|2,0,1]=4 60 B8R0.1 CCCNC(=O)C=CI 68a3e0e9c9707da402b670771198154c [0,1,0,0,0,0|2,0,1]=4 61 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,1,0,0,0,0|1,0,2]=4 62 B8R0.1 CCNC(=O)CNC=O d640e3fac3bdd04f4eea38aa909b37a0 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.1 CCOC(=O)CNC=O 9f57910f0884d9a30d5951af969e11f6 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.4 C#CCOC/C=C/C=O 74b9ee133766e2e1923522b8ceef1519 [0,1,0,0,0,0|1,0,2]=4 65 B8R0.4 C/C=C/C=C/COCC 48048cc52dfb080561bace8cd1da333e [0,1,0,0,0,0|1,0,1]=3 66 B8R0.4 C/C=C/C=C/COCF 02510bc1e5437b525e5ca68e059cfda2 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.4 C=C/C=C/CCNCC abe888d93c90720b4bafeddab30018c6 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.4 C=CCOC/C=C/C=O a4a267a2d5f3d6156c40ca957d34238e [0,1,0,0,0,0|1,0,2]=4 69 B8R0.4 C=CCOC/C=C/CC 6db13fd1e466efc2bd73c5af74f902bb [0,1,0,0,0,0|1,0,2]=4 70 B8R0.4 C=CCOC/C=C\CC ee88c154ab21aaf2a136d142bf31ff78 [0,1,0,0,0,0|1,0,2]=4 71 B8R0.4 CC/C=C/COCC=O 397bbf00664315773de6e24f33c3ac9b [0,1,0,0,0,0|0,0,2]=3 72 B8R0.4 CC/C=C\COCC=O 59f6dd0fa4df871899af277da158060d [0,1,0,0,0,0|0,0,2]=3 73 B8R0.4 CC=CC=CCOCC 6e3d8f43dbdb54d7ac9426c55e4b046b [0,1,0,0,0,0|1,0,1]=3 74 B8R0.4 CC=CC=CCOCF 1aa20a7eea5c51200b32b92fc0ce88f4 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [0,1,0,0,0,0|0,0,2]=3 76 B8R0.4 COCOC/C=C/C=O 06cfd63a5d69fca9e362912caf3049ad [0,1,0,0,0,0|1,0,1]=3 77 B8R0.4 CSCOC/C=C/C=O 8214affd03209cc6c710ec092140e7af [0,1,0,0,0,0|1,0,1]=3 78 B8R0.4 N#CCOC/C=C/C=O 588aa3990d2d73eeef6097bb37a6d12f [0,1,0,0,0,0|1,0,2]=4 79 B8R0.4 O=C/C=C/COCC=O 01dab094aad874d8c465dab629dd0e4d [0,1,0,0,0,0|1,0,2]=4 80 B8R0.4 O=C/C=C/COCCF 8b3ecdcae3ced2a7cbe5cc5356a25a84 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.4 O=C/C=C/COCCS c79988ae7800ad8f8ff2a528a56e3d57 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.6 C=C(C=O)OC/C=C/C 2dcc3110c86a6a555816f9e93568f805 [0,1,0,0,0,0|1,0,2]=4 83 B8R0.6 C=C(C=O)OC/C=C\C 93550c76437bdb34f8fb27ee7eff4467 [0,1,0,0,0,0|1,0,2]=4 84 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,1,0,0,0,0|1,0,2]=4 85 B8R0.6 C=C(C=O)OCOCC a43dcefe7b49a952ac6bc79bdf8dad34 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.6 CC=CCNC(=O)C=O 2619bd06651b9bd7fad594d339b07422 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,1,0,0,0,0|1,0,2]=4 89 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,1,0,0,0,0|1,0,2]=4 90 B8R0.7 CC(C)OC/C=C/C=O 4e4160efe718f5443229ce2fbcf01269 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [0,1,0,0,0,0|1,0,1]=3 92 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [0,1,0,0,0,0|1,0,1]=3 93 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [0,1,0,0,0,0|1,0,1]=3 94 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.7 O=C(O)/C=C/CNCF bf1a500decef8c303d3f6a742fbbad66 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.7 O=C(O)/C=C/CNCO 636d80fa901fc7691204fa365c3594e9 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.7 O=C(O)/C=C/COCF ebed56b3d2d90acdfdb36d8c22e5f4aa [0,1,0,0,0,0|2,0,1]=4 98 B8R0.7 O=C(O)C=CCNCF 3f514297543f3f20f01aa027e709b899 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.7 O=C(O)C=CCNCO d0e67b57ae84da8c5e0237ae3ec49a86 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.7 O=C(O)C=CCOCF ff531e5fc8f016fd8f892ee935d373af [0,1,0,0,0,0|2,0,1]=4 101 B8R1.2 O=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,0,0,1,0,0|1,0,1]=3 102 B8R1.8 CCNc1cc[nH]n1 1ec90843b0b722deac22a6d0b9230c30 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [0,0,0,1,0,0|1,1,0]=3 104 B8R1.8 CCNc1ccno1 c991bcc5829788fabf092ecd54bd220e [0,0,0,1,0,0|2,0,1]=4 105 B8R1.8 CCNc1ccns1 2d79a3b4135a06a1b489318190c2601d [0,0,0,1,0,0|2,1,0]=4 106 B8R1.8 CCNc1ccon1 1b2b81379cbfa300ef6ff7f035534561 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.8 CCNc1ccsc1 cda8850b0edc8792e319ed7aad994bf3 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.8 CCNc1cncs1 caf47a09a037d51cb6d8de3ed1ef2cd8 [0,0,0,1,0,0|2,1,0]=4 109 B8R1.8 CCNc1cocn1 d8e901dc9f64240d769713656ef981d4 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.8 CCNc1cscn1 deb4d5205f2d6ad6b5aceaad6dba2646 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.8 CCNc1ncc[nH]1 9c694d8670fe0b12710364903a725787 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.8 CCNc1ncco1 9fef4809a1ac3d1c666a8faacb65e06b [0,0,0,1,0,0|2,0,1]=4 113 B8R1.8 CCNc1nccs1 80b16777a8c3f760bbf265ac2cdb6521 [0,0,0,1,0,0|2,1,0]=4 114 B8R1.8 CCOc1c[nH]cn1 5a57d5d014ff5f703d52daf8ebbbcbe1 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [0,0,0,1,0,0|1,0,1]=3 116 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [0,0,0,1,0,0|1,1,0]=3 117 B8R1.8 CCOc1ccn[nH]1 945a2fb7b2311859d19fa2575122eac5 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.8 CCOc1ccsc1 e97ca04b8e5d46ec67b2ebe625463cd4 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.8 CCOc1nccs1 c7bf9113a012f962fcb198e0f8e767fe [0,0,0,1,0,0|2,1,0]=4 120 B8R1.8 CCOn1cccn1 770cadc5246353a2a295ab96e14141ca [0,0,0,1,0,0|3,0,0]=4 121 B8R1.8 FCNc1cccs1 5e75f288d43648c29cd49234a17e1a9b [0,0,0,1,0,0|2,1,0]=4 122 B8R1.8 FCOc1ccco1 51ab89c071216f5af135b7cd9684c569 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.8 FCOc1cccs1 5abe6db260cf1bf0ece10764373fe2fd [0,0,0,1,0,0|2,1,0]=4 124 B8R1.8 O=CNc1cccs1 ba17c251fb0707a83067f3ecf6d1d996 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.8 O=CNc1ccno1 aae61b9cd3ebc97474890d3f855206e4 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.8 O=CNc1ccns1 ce5df5142e91fb4f21bc04e2f907948a [0,0,0,1,0,0|3,0,0]=4 127 B8R1.8 O=CNc1ccon1 cca691a48b26a4c8aa46cb0c5d0b373e [0,0,0,1,0,0|3,0,0]=4 128 B8R1.8 O=CNc1ccsc1 0a6858906ba6a8fe50b8bca40778ed89 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.8 OCNc1cccs1 2c9e101236047184adb7524dbc050fa0 [0,0,0,1,0,0|2,1,0]=4 130 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|1,0,1]=4 131 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [1,1,0,0,0,0|1,0,1]=4 132 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [1,1,0,0,0,0|1,0,1]=4 133 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [1,1,0,0,0,0|1,0,1]=4 134 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [1,1,0,0,0,0|1,0,1]=4 136 B9R0.8 C=C/C=C/C(=O)N(C)CC ec3e555b40e82de44f5e5a3d078284ef [0,2,0,0,0,0|2,0,0]=4 137 B9R0.8 C=C/C=C\C(=O)N(C)CC 851984728626a978c34b494a58a8a489 [0,2,0,0,0,0|2,0,0]=4 138 B9R0.8 C=CC=CC(=O)N(C)CC f787229ea7ff1771d61092ded6fc9777 [0,2,0,0,0,0|2,0,0]=4 139 B9R0.18 C=C/C=C/C(=O)NCCBr 24241347484a6226c8dd7163c33f3c1a [0,2,0,0,0,0|2,0,0]=4 140 B9R0.18 C=C/C=C/C(=O)NCCC cdb1993c899e293034914219ee12d2cc [0,2,0,0,0,0|1,0,1]=4 141 B9R0.18 C=C/C=C/C(=O)NCCF 4dfe4489970fda9645b22f2cf971aa1e [0,2,0,0,0,0|2,0,0]=4 142 B9R0.18 C=C/C=C/C(=O)NCCI 671d50f31f616814a26211768163bb49 [0,2,0,0,0,0|2,0,0]=4 143 B9R0.18 C=C/C=C/C(=O)NCCO 84cabd46bcaa3ce54eced688b872193d [0,2,0,0,0,0|2,0,0]=4 144 B9R0.18 C=C/C=C/C(=O)NCCS 36586e03abc7a2f2b3c0061554a2ffb5 [0,2,0,0,0,0|2,0,0]=4 145 B9R0.18 C=C/C=C\C(=O)NCCBr a49f65f9402775ef02e948cd7b975a1c [0,2,0,0,0,0|2,0,0]=4 146 B9R0.18 C=C/C=C\C(=O)NCCC c0156ffebe98b66f4e26bb3d1670da8c [0,2,0,0,0,0|1,0,1]=4 147 B9R0.18 C=C/C=C\C(=O)NCCF aec0cf18cb0e7b29eed657fc7a1e5afe [0,2,0,0,0,0|2,0,0]=4 148 B9R0.18 C=C/C=C\C(=O)NCCI 66bdf2feccd49490567c5d20fb141202 [0,2,0,0,0,0|2,0,0]=4 149 B9R0.18 C=C/C=C\C(=O)NCCO 1c213bed3877e97a951b6dd41834f3a2 [0,2,0,0,0,0|2,0,0]=4 150 B9R0.18 C=C/C=C\C(=O)NCCS fea1ef388904312b919eb18f02bafd16 [0,2,0,0,0,0|2,0,0]=4 151 B9R0.18 C=CC=CC(=O)NCCBr 0503081e50d4ec51bb10f901e1d82f5b [0,2,0,0,0,0|2,0,0]=4 152 B9R0.18 C=CC=CC(=O)NCCC 4ac7d936250849aaf88bec9640f41d33 [0,2,0,0,0,0|1,0,1]=4 153 B9R0.18 C=CC=CC(=O)NCCF 472791024d34eb3a94361b55821717af [0,2,0,0,0,0|2,0,0]=4 154 B9R0.18 C=CC=CC(=O)NCCI 29f23d14f8b98d20bba802946cee3637 [0,2,0,0,0,0|2,0,0]=4 155 B9R0.18 C=CC=CC(=O)NCCO 33efd795c69b3cd508d0081edd0a1405 [0,2,0,0,0,0|2,0,0]=4 156 B9R0.18 C=CC=CC(=O)NCCS ab749ec9ccb6011b2e0c6fdde08d4132 [0,2,0,0,0,0|2,0,0]=4 157 B9R0.2 C/C=C/C=C/COC(C)C bec2220b1d6103b70011a64fb32efb70 [0,2,0,0,0,0|1,0,1]=4 158 B9R0.2 C=C(C)COC/C=C/C=O b2a34946282adb3a5e82001f6d719d7e [0,2,0,0,0,0|1,0,1]=4 159 B9R0.2 CC(C)COC/C=C/C=O b3ff38c430c3f3c2547e5bad8ed5ab62 [0,2,0,0,0,0|0,0,2]=4 160 B9R0.2 CC/C=C/CNCC(=O)C bb03016005aff92d60de25a5fb2dde7e [0,2,0,0,0,0|0,0,2]=4 161 B9R0.2 CC/C=C/CNCC(=O)N 48059c8d89eacab83d2ef80706455f01 [0,2,0,0,0,0|0,0,2]=4 162 B9R0.2 CC/C=C/CNCC(=O)O 608fca61d210069d4fe6cf3ba8d9b082 [0,2,0,0,0,0|0,0,2]=4 163 B9R0.2 CC/C=C/COCC(=O)C 5aaebc977bb6e5ae3b7dabe2f590edd8 [0,2,0,0,0,0|0,0,2]=4 164 B9R0.2 CC/C=C/COCC(=O)N 713c914f23ecec665a855260c3f6940a [0,2,0,0,0,0|0,0,2]=4 165 B9R0.2 CC/C=C/COCC(=O)O 47aadf9bd1a62be7751b0a2fca80ef8b [0,2,0,0,0,0|0,0,2]=4 166 B9R0.2 CC/C=C\COCC(=O)N 52f4757b5a31ccc4a1fcfe8b24404167 [0,2,0,0,0,0|0,0,2]=4 167 B9R0.2 CC/C=C\COCC(=O)O 21a75a85140d898476b2fb3f38c071e1 [0,2,0,0,0,0|0,0,2]=4 168 B9R0.2 CC=CC=CCOC(C)C 24b9fa85f55d4731b3b6ca3fc4d4a326 [0,2,0,0,0,0|1,0,1]=4 169 B9R0.2 CCCNC/C=C/C(=O)O 2dd1b47b43d39c78f5fbca7c7571ff45 [0,2,0,0,0,0|0,0,2]=4 170 B9R0.2 CCCNCC=CC(=O)O f6d198a3c4819b4eb753a38590475072 [0,2,0,0,0,0|0,0,2]=4 171 B9R0.2 CCCOC/C=C/C(=O)O 687938439e6711299f4c9234a05e83ff [0,2,0,0,0,0|0,0,2]=4 172 B9R0.2 CCCOCC=CC(=O)O 08e8672bb8b818ca24be0e027803b17f [0,2,0,0,0,0|0,0,2]=4 173 B9R0.2 CN(C)COC/C=C/C=O eb94d88e4b7285987a9000e0e1f22dbe [0,2,0,0,0,0|1,0,1]=4 174 B9R0.2 COCNC/C=C/C(=O)O 0fa427a6486acbb4d373241fedb0a10e [0,2,0,0,0,0|1,0,1]=4 175 B9R0.2 COCNCC=CC(=O)O 6df88093ebd1ff3e1f049de99a96ca09 [0,2,0,0,0,0|1,0,1]=4 176 B9R0.2 COCOC/C=C/C(=O)O 54f81693b4cd346c35998d208561a80c [0,2,0,0,0,0|1,0,1]=4 177 B9R0.2 COCOCC=CC(=O)O ad57febf4e8b32f0fa5c10f2425d4372 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.2 CSCNC/C=C/C(=O)O 7c226f0048c34d5bb97b0870c0873d3b [0,2,0,0,0,0|1,0,1]=4 179 B9R0.2 CSCNCC=CC(=O)O b8b6d8f69bf1687618553648a2d97d05 [0,2,0,0,0,0|1,0,1]=4 180 B9R0.2 CSCOC/C=C/C(=O)O d0647dc68632bd0d847ac45201ae5914 [0,2,0,0,0,0|1,0,1]=4 181 B9R0.2 CSCOCC=CC(=O)O 37540b99283d1f3b0431d790f6db1d9c [0,2,0,0,0,0|1,0,1]=4 182 B9R0.2 O=C(O)/C=C/CNCCBr 9d755d7205a20dbe522663a089879b3a [0,2,0,0,0,0|1,0,1]=4 183 B9R0.2 O=C(O)/C=C/CNCCF b3131ced97b234b1289a5013b1e1c61c [0,2,0,0,0,0|1,0,1]=4 184 B9R0.2 O=C(O)/C=C/CNCCI ce769c9f0428b17440c76351c7e11247 [0,2,0,0,0,0|1,0,1]=4 185 B9R0.2 O=C(O)/C=C/CNCCO 93a89649b619dea89e7c11dfa7f7aa9d [0,2,0,0,0,0|1,0,1]=4 186 B9R0.2 O=C(O)/C=C/CNCCS 92abc05d6e84073df2dee1d135db5373 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.2 O=C(O)/C=C/COCCF db5f7eff06251f8978f4f7d07daa01c2 [0,2,0,0,0,0|1,0,1]=4 188 B9R0.2 O=C(O)/C=C/COCCS 8a3013d354f5503b5682b578d368f0da [0,2,0,0,0,0|1,0,1]=4 189 B9R0.2 O=C(O)C=CCNCCBr cf334d8d753b9386bfc69e4cfdf7de70 [0,2,0,0,0,0|1,0,1]=4 190 B9R0.2 O=C(O)C=CCNCCF 777a9c85e85fbc73694a5651e8be607e [0,2,0,0,0,0|1,0,1]=4 191 B9R0.2 O=C(O)C=CCNCCI 1b842602153f6c762c46e27cd24adee8 [0,2,0,0,0,0|1,0,1]=4 192 B9R0.2 O=C(O)C=CCNCCO 9ade19e93c03b7906f649b0ba2e47aaa [0,2,0,0,0,0|1,0,1]=4 193 B9R0.2 O=C(O)C=CCNCCS 6895181496316641d5fbe1ba3f2cbad9 [0,2,0,0,0,0|1,0,1]=4 194 B9R0.2 O=C(O)C=CCOCCF 6a1cced9ceb263fe986a90f4d7cb48be [0,2,0,0,0,0|1,0,1]=4 195 B9R0.2 O=C(O)C=CCOCCS 129f928d26e6fb7bee7caf0418eb6896 [0,2,0,0,0,0|1,0,1]=4 196 B9R0.2 O=C/C=C/COCC(F)F b71ac4f94b90cea42aa6570f9298076c [0,2,0,0,0,0|1,0,1]=4 197 B9R0.45 C#CCCOC/C=C/C=O c5fc78ffb2ce40d057a82ba975b7001c [0,2,0,0,0,0|1,0,1]=4 198 B9R0.45 C/C=C/C=C/COCC=O 9ce7a1cfcb81b82cb123e4be46284719 [0,2,0,0,0,0|0,0,2]=4 199 B9R0.45 C/C=C/C=C/COCCC 8f1e48b4facc41411447438079f84a28 [0,2,0,0,0,0|1,0,1]=4 200 B9R0.45 C/C=C/C=C/COCCF 5694049e672fc6f5fad06a25351f412d [0,2,0,0,0,0|1,0,1]=4 201 B9R0.45 C/C=C/C=C/COCCS d3888aade3b067c13950d94387cb125a [0,2,0,0,0,0|1,0,1]=4 202 B9R0.45 C/C=C/C=C/COCOC 5c2dc9c79dbd8663009901e5c7a8b64e [0,2,0,0,0,0|1,0,1]=4 203 B9R0.45 C/C=C/C=C/COCSC 1c4cba468d017b57bf5bd8a750acd582 [0,2,0,0,0,0|1,0,1]=4 204 B9R0.45 C/C=C/COC/C=C/C=O 1b6fad9874f1ccb6d4ce7c7d938eb553 [0,2,0,0,0,0|0,0,2]=4 205 B9R0.45 C/C=C/COC/C=C/CC 08aecd00e15053f1b6749f3f849cd2cf [0,2,0,0,0,0|1,0,1]=4 206 B9R0.45 C/C=C/COC/C=C\CC 2d9abe3714f10ca8826106205917a43c [0,2,0,0,0,0|1,0,1]=4 207 B9R0.45 C/C=C\COC/C=C/C=O 60dc58601c8a548c8a42898f4e0265fc [0,2,0,0,0,0|0,0,2]=4 208 B9R0.45 C/C=C\COC/C=C/CC 6742c17469dacc11877f719b7150d31e [0,2,0,0,0,0|1,0,1]=4 209 B9R0.45 C/C=C\COC/C=C\CC 0cade4bf908f9e61d5669b6ee1a01d52 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.45 C=CCCOC/C=C/C=O 3d07462d2dd0fa331d0c71f0dc4a0f82 [0,2,0,0,0,0|1,0,1]=4 211 B9R0.45 CC/C=C/CCOCC=O ad17a670e163a34530891c854a5f696c [0,2,0,0,0,0|0,0,2]=4 212 B9R0.45 CC/C=C/COC/C=C/Cl 2ce6b4e89bdd91f5deea0a5ba0ea4028 [0,2,0,0,0,0|1,0,1]=4 213 B9R0.45 CC/C=C/COC/C=C\Cl 3746ec55f5abdf8d38fce0f2252edb7e [0,2,0,0,0,0|1,0,1]=4 214 B9R0.45 CC/C=C/COCC=CCl 7244268a89c1b035dd813eaba319a6d8 [0,2,0,0,0,0|1,0,1]=4 215 B9R0.45 CC/C=C/COCCC=O d6f550e324359bfac415f041e46bdeb8 [0,2,0,0,0,0|0,0,2]=4 216 B9R0.45 CC/C=C\CCOCC=O 43305c6de6e2aa8f989b2fa311880427 [0,2,0,0,0,0|0,0,2]=4 217 B9R0.45 CC/C=C\COC/C=C/Cl 823a70ef508884192164d773461c2334 [0,2,0,0,0,0|1,0,1]=4 218 B9R0.45 CC/C=C\COC/C=C\Cl 50086743d62854d1069854604f9e3d45 [0,2,0,0,0,0|1,0,1]=4 219 B9R0.45 CC/C=C\COCCC=O c07660cf26a3506f42ef614da4e3c32d [0,2,0,0,0,0|0,0,2]=4 220 B9R0.45 CC=CC=CCOCC=O fe812fc03d53c36dcf8f74e5ba292573 [0,2,0,0,0,0|0,0,2]=4 221 B9R0.45 CC=CC=CCOCCC 56450f7f936a8924869fea1d2e9622e7 [0,2,0,0,0,0|1,0,1]=4 222 B9R0.45 CC=CC=CCOCCF cf003ae42f274a2a51abc4d55a3d9ad5 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.45 CC=CC=CCOCCS fd2bebd1bde5b1550f8db823e1699724 [0,2,0,0,0,0|1,0,1]=4 224 B9R0.45 CC=CC=CCOCOC 2596b7da8bf6acd45fbe82fe6390dd54 [0,2,0,0,0,0|1,0,1]=4 225 B9R0.45 CC=CC=CCOCSC 7dc62b0194640cc768d7705555554abe [0,2,0,0,0,0|1,0,1]=4 226 B9R0.45 CC=CCNC/C=C/CC e97bb245bec38e385a00d6c5659fd632 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.45 CC=CCOC/C=C/CC 48441f285007ffe6d466ada70be3c31a [0,2,0,0,0,0|1,0,1]=4 228 B9R0.45 CCC/C=C/COCC=O 4b38aa72153068d33113c423eeaba184 [0,2,0,0,0,0|0,0,2]=4 229 B9R0.45 CCC/C=C\COCC=O bf01e182e8daf457f7933faee15ce932 [0,2,0,0,0,0|0,0,2]=4 230 B9R0.45 CCCCOC/C=C/C=O 2da2f2ec693713191f08b0d2f08d4dd9 [0,2,0,0,0,0|0,0,2]=4 231 B9R0.45 CCOCOC/C=C/C=O 7670264f072827a60bb468ebf074bc0c [0,2,0,0,0,0|0,0,2]=4 232 B9R0.45 COCCOC/C=C/C=O 967f18e0ff39d9ac3e3f1923f75f6062 [0,2,0,0,0,0|0,0,2]=4 233 B9R0.45 CSCCOC/C=C/C=O b4c56aba648070db4d17b4c5e68d691a [0,2,0,0,0,0|0,0,2]=4 234 B9R0.45 N#CCCOC/C=C/C=O e4a2716b80077f4f03232392503fa4fa [0,2,0,0,0,0|1,0,1]=4 235 B9R0.45 O=C/C=C/COCCC=O 81b553fde731118cadfc516e30f5d839 [0,2,0,0,0,0|1,0,1]=4 236 B9R0.45 O=C/C=C/COCCCF fcd18cdaba64e2c966479a4a46b113b7 [0,2,0,0,0,0|0,0,2]=4 237 B9R0.45 O=C/C=C/COCCCS 4f5fd7cc130b52277441647b966078c4 [0,2,0,0,0,0|0,0,2]=4 238 B9R0.46 C=C(C=O)OC/C=C/CC 9c3cca4cfdb517ef04d3b3fcf9f019bf [0,2,0,0,0,0|0,0,1]=3 239 B9R0.46 C=CC(C)OC/C=C/C=O c069aaebb308eed6b9350410d9a0d8df [0,2,0,0,0,0|1,0,1]=4 240 B9R0.46 CC(C#N)OC/C=C/C=O 3821add9950bbeee51e8b41a223d6c51 [0,2,0,0,0,0|1,0,1]=4 241 B9R0.46 CC(C=O)OC/C=C/C=O f910a75b39d29451b58b645fb543947e [0,2,0,0,0,0|1,0,1]=4 242 B9R0.46 CC/C=C/COC(C)C=O ca92496dc1fa4f410a644b0413bf3a1c [0,2,0,0,0,0|0,0,2]=4 243 B9R0.46 CC/C=C/CO[C@H](C)C=O c90962d297d8808721cbe6d6318b301e [0,2,0,0,0,0|0,0,2]=4 244 B9R0.46 CC/C=C\COC(C)C=O 02507ce520787a4f980b1d299ada3fc3 [0,2,0,0,0,0|0,0,2]=4 245 B9R0.46 CC/C=C\CO[C@H](C)C=O 131ae77ee2af216b761390f314f76593 [0,2,0,0,0,0|0,0,2]=4 246 B9R0.46 CCC(C)OC/C=C/C=O 7471c5bfeff4720f5ec50f2bf3ea2c4e [0,2,0,0,0,0|0,0,2]=4 247 B9R0.46 CCOC/C=C/C(=O)OC 768298698af36b745bc9dad60b33bf97 [0,2,0,0,0,0|1,0,1]=4 248 B9R0.46 C[C@H](C=O)OC/C=C/C=O 63619737e028b366f19c909fc0f52b40 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.1 CCN(C)C/C=C/C(=O)O c59393b71dfbf874e824ace25c6dde8a [0,2,0,0,0,0|1,0,1]=4 250 B9R0.1 CCN(C)CC=CC(=O)O 2b5cd669133f9500117e44a88402af2e [0,2,0,0,0,0|1,0,1]=4 251 B9R0.24 C=C(C=O)OCC(=O)CC 7d7578d425fd1809e6758aaf3e6015f0 [0,2,0,0,0,0|1,0,1]=4 252 B9R0.24 C=C(CC)COC(=C)C=O 5c18cade9a1def0b3423eb7521b89d38 [0,2,0,0,0,0|1,0,1]=4 253 B9R0.55 CC(C)NC/C=C/C(=O)O ae9dbd87f20c6972a3670d953188c3ce [0,2,0,0,0,0|1,0,1]=4 254 B9R0.55 CC(C)NCC=CC(=O)O 8c3eb5e4ab7e707382a244b29e0cbb5e [0,2,0,0,0,0|1,0,1]=4 255 B9R0.55 CC(C)OC/C=C/C(=O)O 6bbca3c32dd54059c9ebefbdb83a4677 [0,2,0,0,0,0|1,0,1]=4 256 B9R0.55 CC(C)OCC=CC(=O)O 0c0c6ff71b7a84b51cfd84c6c96dabb5 [0,2,0,0,0,0|1,0,1]=4 257 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [1,0,0,1,0,0|1,0,1]=4 258 B9R1.2 O=CN1CC=CC(C1)O 91fd9b5ff26cd5cd1f94a96451a20246 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.7 CCNc1ccc(s1)Br 9887066c4f23e7daf2738532a866a93f [0,1,0,1,0,0|1,1,0]=4 260 B9R1.7 CCNc1ccc(s1)C 6cc2b61cb21c538e8a3c4748615dc171 [0,1,0,1,0,0|1,1,0]=4 261 B9R1.7 CCOC1=COC(=O)C1 d9f8c57e71131e87788948985bfcb55f [0,1,0,1,0,0|2,0,0]=4 262 B9R1.7 CCOC1C=CC(=O)C1 cf7dcc6d5bb52c2dbe964e53d7a14001 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.7 CCOC1C=CC(=O)O1 29891b23a7e06859f351008a27b82b00 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.7 CCO[C@H]1C=CC(=O)C1 b0e331b85aadab1f09429088fdf1cc58 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.7 CCOc1cc(cs1)C f83ac452101022897e1afe49252bc0a6 [0,1,0,1,0,0|1,1,0]=4 266 B9R1.7 CCOc1ccc(s1)Br c97db172da234b04bd274e0b7ba7aac7 [0,1,0,1,0,0|1,1,0]=4 267 B9R1.7 Cc1ccc(s1)NC=O 745d01ed2a45b7ddb9d308ef71450e7f [0,1,0,1,0,0|1,0,1]=4 268 B9R1.7 Cn1ccc(n1)NC=O 4782ae68cef7067e3c0806462693daa0 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.7 O=CN[C@@H]1C=C[C@@H](C1)O c84ec6168b4b883882f43f4269c92f41 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.7 O=CN[C@H]1C=C[C@H](C1)O 3aafffd502f5d4ae0116f1b76ce04f44 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [0,1,0,1,0,0|1,0,0]=3 272 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [0,1,0,1,0,0|1,0,0]=3 273 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.8 CCNc1cccnn1 8ce46420a68f085572db040256d5d2b7 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.8 CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.8 CCNc1ccncn1 e04846be86a5c479e545d0cb402fe182 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.8 CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.8 CCNc1ncccn1 e5f30c193b5ab11515bad37a4470b1a9 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [0,1,0,1,0,0|2,0,0]=4 281 B9R1.8 CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.8 CCOc1ncccn1 c537ae1cbb412be3ee508a248bc8885d [0,1,0,1,0,0|2,0,0]=4 284 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [0,1,0,1,0,0|2,0,0]=4 285 B9R1.8 FCNc1ccccn1 e54f22e64e1a3858aca2c223c703a3f4 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.8 FCOc1ccccn1 104b8f973c7a9ebb04a489743f7e956b [0,1,0,1,0,0|2,0,0]=4 287 B9R1.8 O=CCN1CC=CCC1 9f54362e8ce21beda43dc22a34b679c8 [0,1,0,1,0,0|0,0,2]=4 288 B9R1.8 O=CNC1C=CCCC1 3b9c7cf73f1743de12a2aebb90ff96c3 [0,1,0,1,0,0|0,0,2]=4 289 B9R1.8 O=CNc1ccccn1 881aba1a1d89f4a286d5001a309ad574 [0,1,0,1,0,0|1,0,1]=4 290 B9R1.8 O=CNc1cccnc1 355201612949cfa8d6342c6af1c523a5 [0,1,0,1,0,0|1,0,1]=4 291 B9R1.8 O=CNc1cccnn1 c879f8306314a65926ae67496fe730c3 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.8 OCNc1ccccn1 d59bc8d9974c705420d0aeed6cce1b06 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.12 BrCCNc1cccs1 c09b0f0dcebf0fcb791d9c0fae97e4ed [0,1,0,1,0,0|1,1,0]=4 295 B9R1.12 CCCNc1cccs1 dddbeb0cebfad93e2ee450a927f1f846 [0,1,0,1,0,0|0,1,1]=4 296 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [0,1,0,1,0,0|0,0,2]=4 297 B9R1.12 CCCOc1cccs1 08634ab81341ae1b1178430949f9ac0f [0,1,0,1,0,0|0,1,1]=4 298 B9R1.12 CCNCc1ccc[nH]1 d148947c496d04ba3fda3d28b4738aad [0,1,0,1,0,0|1,0,1]=4 299 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [0,1,0,1,0,0|0,0,2]=4 300 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [0,1,0,1,0,0|0,1,1]=4 301 B9R1.12 CCOCc1ccc[nH]1 0b5c52ca398d6e6823ab9d1f4fb92621 [0,1,0,1,0,0|1,0,1]=4 302 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [0,1,0,1,0,0|0,0,2]=4 303 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [0,1,0,1,0,0|0,1,1]=4 304 B9R1.12 COCNc1cccs1 a445fc20137d5de04e37049f9b7acf2c [0,1,0,1,0,0|1,1,0]=4 305 B9R1.12 COCOc1ccco1 e04897991e5b5a23be25371e2fdd1455 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.12 COCOc1cccs1 f7e2b3cd366d3a572662b6a110d9cdff [0,1,0,1,0,0|1,1,0]=4 307 B9R1.12 CSCNc1cccs1 9666dae99bc2c28068bd9eb8da246d16 [0,1,0,1,0,0|1,1,0]=4 308 B9R1.12 CSCOc1ccco1 1390e2388610ba4d2a6a9c5a27789bf5 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.12 CSCOc1cccs1 bce12fac0c68c414ccd2f558ed87d259 [0,1,0,1,0,0|1,1,0]=4 310 B9R1.12 FCCNc1cccs1 72d30de6f7107428d208ec2105512673 [0,1,0,1,0,0|1,1,0]=4 311 B9R1.12 FCCOc1ccco1 74b943bccf8edd3f7423f52f687b6d81 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.12 FCCOc1cccs1 4d4e0d32e310d3d0cee0221bc94ba774 [0,1,0,1,0,0|1,1,0]=4 313 B9R1.12 ICCNc1cccs1 8499be8b0e3a22886e79ca6d717dc693 [0,1,0,1,0,0|1,1,0]=4 314 B9R1.12 O=CCOC1C=CCC1 41dbe9bc4abbc85f5c193c497af03476 [0,1,0,1,0,0|0,0,2]=4 315 B9R1.12 OCCNc1ccco1 133a22307e236e8d6e7724cd612f28fd [0,1,0,1,0,0|1,0,1]=4 316 B9R1.12 OCCNc1cccs1 2ba78ef34c75ea3069c9d7a18a33b4b5 [0,1,0,1,0,0|1,1,0]=4 317 B9R1.12 SCCNc1ccco1 07751fd732d83bca22eb9634fbc19eef [0,1,0,1,0,0|1,0,1]=4 318 B9R1.12 SCCNc1cccs1 8a17ff5b35bec33fda4ea52f977bd5ac [0,1,0,1,0,0|1,1,0]=4 319 B9R1.12 SCCOc1ccco1 7ce458dd6701fc9e2ddded3a6e0f82ed [0,1,0,1,0,0|1,0,1]=4 320 B9R1.12 SCCOc1cccs1 76d2470c19021421703a4592f24d10d6 [0,1,0,1,0,0|1,1,0]=4 321 B9R1.33 CCNc1ccsc1C 77679f4a4608797405be9c01b56f6c78 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.33 CCNc1cscc1Br c7e322fe417175196a361e409120ada1 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.33 CCNc1cscc1C 72a4e110478d329321a4ba0edf07cb57 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.33 CCOC1=CCCC1=O 9fef6e163e059a9e927a72209e5c8e3f [0,1,0,1,0,0|0,0,2]=4 325 B9R1.33 CCOc1cccn1C 44520dbb337be4380fad349d4652b597 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.33 Cc1cscc1NC=O 2ba12c3794d46c1d3825528ca0b0cc91 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.33 Cc1sccc1NC=O 182c82464adb5dcd1d12fd78a8801218 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.33 Cn1cncc1NC=O 844c76b2df9072140886828d4596071c [0,1,0,1,0,0|2,0,0]=4 329 B9R1.33 Cn1nccc1NC=O 7f0963d88bb173b33e12878301988475 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.14 O=CN1CC=CC1CO ac14aabb3561075ffca10498c45bfe9d [0,1,0,1,0,0|1,0,1]=4 331 B9R1.83 O=C/C=C/COC1CC1 5050d9c04a8a89aff1250a7e213af3c5 [0,1,0,1,0,0|0,0,2]=4 332 B9R1.1 O=CN1CC=C(CC1)Br 58054df595e2bfde40e69827d3bf0200 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.6 CC(=O)N1CC=CCC1 941519b4d56d0edbf71c96ca78449316 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.13 CC(C)Oc1ccco1 6706bc489021fd5e63c9cd08f454e9c6 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.13 CC(C)Oc1cccs1 21794e900987f3d432b829048842efca [0,1,0,1,0,0|1,1,0]=4