0 B7R0.1 C#CCCNCC=C d90d94f7d315e0166250ba5af8ae469e [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C#CCCOCC=C 8bdecfee994b87778a9a15bbeef233cc [0,0,0,0,0,0|1,1,2]=4 3 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,0,0,0,0,0|1,1,2]=4 4 B7R0.1 C#CCNCCC=C 6db24e9c2d55a0af81323c8318489a10 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 C#CCOCCC=C fd466e025012a5d497aea84a85fae5e4 [0,0,0,0,0,0|1,1,2]=4 7 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [0,0,0,0,0,0|1,1,2]=4 8 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,0,0,0,0,0|1,1,2]=4 10 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,0,0,0,0,0|1,1,2]=4 12 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,0,0,0,0,0|4,0,0]=4 15 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,0,0,0,0,0|3,0,0]=3 16 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.1 C=CCCNCC#N a332b7f37f49d54a58efe2c542b996ff [0,0,0,0,0,0|3,0,1]=4 18 B7R0.1 C=CCCNCC=C ed28868ac318a2b10127bb777ccfd9d8 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,0,0,0,0,0|3,0,0]=3 21 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.1 C=CCCOCC#N d365122be2095f88b420ea78aed40a5c [0,0,0,0,0,0|2,1,1]=4 29 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [0,0,0,0,0,0|1,1,2]=4 30 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,0,0,0,0,0|2,1,1]=4 31 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,0,0,0,0,0|1,1,0]=2 32 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,0,0,0,0,0|2,1,0]=3 33 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,0,0,0,0,0|2,1,0]=3 34 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,0,0,0,0,0|2,1,0]=3 35 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,0,0,0,0,0|2,1,0]=3 36 B7R0.1 C=CCNCC#CC 6c02e2f05d85401245227efb2b09dc93 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.1 C=CCNCC=CC 38ec17f6446a97524dd04ec6f1e4cb2d [0,0,0,0,0,0|2,0,2]=4 38 B7R0.1 C=CCNCCC#N ebe6ef4017e88e939a746deb0ffff8ba [0,0,0,0,0,0|3,0,1]=4 39 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,0,0,0,0,0|2,0,0]=2 40 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,0,0,0,0,0|3,0,0]=3 41 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,0,0,0,0,0|3,0,0]=3 42 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.1 C=CCNCCON d6a2b5d5e4daf1b2d12e175eb47f6f94 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [0,0,0,0,0,0|1,1,2]=4 46 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [0,0,0,0,0,0|1,1,2]=4 47 B7R0.1 C=CCOCC#CC 4cc7727639fb0b04e42f95bf905e56dc [0,0,0,0,0,0|1,1,2]=4 48 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [0,0,0,0,0,0|1,1,2]=4 49 B7R0.1 C=CCOCCC#N de5c98f1eaae1963d325522a08f87649 [0,0,0,0,0,0|2,1,1]=4 50 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,0,0,0,0,0|2,1,1]=4 51 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,0,0,0,0,0|1,1,0]=2 52 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,0,0,0,0,0|2,1,0]=3 53 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,0,0,0,0,0|2,1,0]=3 54 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,0,0,0,0,0|2,1,0]=3 55 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,0,0,0,0,0|2,1,0]=3 56 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [0,0,0,0,0,0|4,0,0]=4 57 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [0,0,0,0,0,0|4,0,0]=4 58 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,0,0,0,0,0|2,0,2]=4 59 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,0,0,0,0,0|1,1,2]=4 60 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,0,0,0,0,0|4,0,0]=4 61 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,0,0,0,0,0|3,0,0]=3 63 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,0,0,0,0,0|3,0,1]=4 68 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,0,0,0,0,0|3,0,1]=4 69 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,0,0,0,0,0|3,0,1]=4 70 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [0,0,0,0,0,0|2,1,1]=4 72 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,0,0,0,0,0|2,1,0]=3 73 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,0,0,0,0,0|1,1,2]=4 74 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,0,0,0,0,0|2,1,1]=4 75 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,0,0,0,0,0|2,1,1]=4 76 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,0,0,0,0,0|2,1,1]=4 77 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,0,0,0,0,0|2,1,1]=4 78 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,0,0,0,0,0|3,0,0]=3 83 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,0,0,0,0,0|3,0,1]=4 84 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,0,0,0,0,0|3,0,1]=4 85 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,0,0,0,0,0|3,0,1]=4 86 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,0,0,0,0,0|3,0,1]=4 87 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,0,0,0,0,0|4,0,0]=4 89 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,0,0,0,0,0|2,1,1]=4 91 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,0,0,0,0,0|2,1,1]=4 92 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,0,0,0,0,0|2,1,1]=4 93 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,0,0,0,0,0|2,1,1]=4 94 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,0,0,0,0,0|2,1,0]=3 95 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,0,0,0,0,0|2,1,1]=4 96 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,0,0,0,0,0|2,1,1]=4 97 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,0,0,0,0,0|2,1,1]=4 98 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,0,0,0,0,0|2,1,1]=4 99 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,0,0,0,0,0|4,0,0]=4 101 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,0,0,0,0,0|3,1,0]=4 102 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,0,0,0,0,0|3,1,0]=4 103 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,0,0,0,0,0|4,0,0]=4 104 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,0,0,0,0,0|3,1,0]=4 105 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,0,0,0,0,0|3,1,0]=4 106 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,0,0,0,0,0|4,0,0]=4 107 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,0,0,0,0,0|4,0,0]=4 108 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,0,0,0,0,0|3,1,0]=4 112 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,0,0,0,0,0|3,1,0]=4 113 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,0,0,0,0,0|4,0,0]=4 115 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,0,0,0,0,0|3,1,0]=4 116 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,0,0,0,0,0|3,1,0]=4 117 B6R0.6 C#CCNCC=C 8a6691866f7ad7e25dfae0189494fb97 [1,0,0,0,0,0|1,0,2]=4 118 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [1,0,0,0,0,0|1,0,2]=4 119 B6R0.6 C#CCOCC=C 9ee4b3b7cf76c12c4527cb9a8ab9f5f0 [1,0,0,0,0,0|0,1,2]=4 120 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [1,0,0,0,0,0|0,1,2]=4 121 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,0,0,0,0,0|2,0,0]=3 122 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [1,0,0,0,0,0|3,0,0]=4 124 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,0,0,0,0|1,1,0]=3 125 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [1,0,0,0,0,0|2,1,0]=4 126 B6R0.6 C=CCNCC#N e6dacd4b5043db0119c1a8003acadd33 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [1,0,0,0,0,0|2,0,0]=3 128 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,0,0,0,0,0|1,0,0]=2 129 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [1,0,0,0,0,0|2,0,0]=3 131 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [1,0,0,0,0,0|2,0,0]=3 132 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [1,0,0,0,0,0|2,0,0]=3 133 B6R0.6 C=CCOCC#N 74b14a6e6555166ef6d735282c8bae13 [1,0,0,0,0,0|1,1,1]=4 134 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,0,0,0,0|0,1,0]=2 135 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [1,0,0,0,0,0|1,1,0]=3 136 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [1,0,0,0,0,0|1,1,0]=3 137 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,0,0,0,0,0|1,1,0]=3 138 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,0,0,0,0|3,0,0]=4 139 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,0,0,0,0,0|3,0,0]=4 141 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,0,0,0,0|1,1,1]=4 143 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,0,0,0,0,0|2,1,0]=4 144 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [1,0,0,0,0,0|2,0,1]=4 147 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,0,0,0,0,0|1,0,2]=4 148 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,0,0,0,0,0|2,0,1]=4 153 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [1,0,0,0,0,0|1,1,1]=4 155 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,0,0,0,0,0|1,1,0]=3 156 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,0,0,0,0,0|0,1,2]=4 157 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [1,0,0,0,0,0|1,1,1]=4 158 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,0,0,0,0,0|1,1,1]=4 159 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,0,0,0,0,0|1,1,1]=4 160 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,0,0,0,0,0|1,1,1]=4 161 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,0,0,0,0|2,1,0]=4 162 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,0,0,0,0,0|2,1,0]=4 163 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,0,0,0,0,0|3,0,0]=4 166 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,0,0,0,0,0|2,1,0]=4 169 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,0,0,0,0,0|2,1,0]=4 170 B8R0.1 C=CCC(=O)NCCBr 88693f23f16092ca5dd266571e10a0e0 [0,1,0,0,0,0|3,0,0]=4 171 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,1,0,0,0,0|2,0,0]=3 172 B8R0.1 C=CCC(=O)NCCF b423ce63ff163e8a3f1e834dcf6b878a [0,1,0,0,0,0|3,0,0]=4 173 B8R0.1 C=CCC(=O)NCCI 3e84a2a94db213ccfed4bfa0a31b248c [0,1,0,0,0,0|3,0,0]=4 174 B8R0.1 C=CCC(=O)NCCO 463fba4a469c234daf13b2d2f72392b1 [0,1,0,0,0,0|3,0,0]=4 175 B8R0.1 C=CCC(=O)NCCS 6f95ca251253e31286d39bbf0aa786fe [0,1,0,0,0,0|3,0,0]=4 176 B8R0.1 C=CCC(C)COCC 1270be54942bfc9267f93a523dae28a1 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.1 C=CCC(C)OCCC a45dcff5acaff24e8a928ffef7da10dd [0,1,0,0,0,0|1,1,0]=3 178 B8R0.1 C=CCC(C)OCCF 876f3a417169ab4b1923ee788d5dc5a1 [0,1,0,0,0,0|2,1,0]=4 179 B8R0.1 C=CCC(C)OCCS fc0c953432b2651d92b5a8e3c428c38d [0,1,0,0,0,0|2,1,0]=4 180 B8R0.1 C=CCC(C)OCOC 281b0bbcfd0d56f0759e511db89fe2ba [0,1,0,0,0,0|2,1,0]=4 181 B8R0.1 C=CCC(C)OCSC 22615d5f2d03cd17a008d29371245f31 [0,1,0,0,0,0|2,1,0]=4 182 B8R0.1 C=CCC(O)CNCC aa1682f0a7f6c65d6e9eb9dff4402815 [0,1,0,0,0,0|3,0,0]=4 183 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [0,1,0,0,0,0|3,0,0]=4 184 B8R0.1 C=CCCN(C)CCC dab57175e9273de33949da20b7fb71b3 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.1 C=CCCN(C)CCF 835eed401a0b6b3a5be304461679a35c [0,1,0,0,0,0|3,0,0]=4 186 B8R0.1 C=CCCN(C)CCO a8587c6e38b527df9a13ce4861c303de [0,1,0,0,0,0|3,0,0]=4 187 B8R0.1 C=CCCN(C)CCS f218cadc93d673ae19aa3c1af9e0544c [0,1,0,0,0,0|3,0,0]=4 188 B8R0.1 C=CCCN(C)COC 3f390760d606763d10d3e6dd76b889ee [0,1,0,0,0,0|3,0,0]=4 189 B8R0.1 C=CCCN(C)CSC bcba3911193dd2dd65f054dc7e7e5d60 [0,1,0,0,0,0|3,0,0]=4 190 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [0,1,0,0,0,0|3,0,0]=4 191 B8R0.1 C=CCN(C)CCCC 7e690a78fa00c036d6b524400b1b2762 [0,1,0,0,0,0|2,0,0]=3 192 B8R0.1 C=CCN(C)CCCF 321f3b1711738193a09039846d139e57 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.1 C=CCN(C)CCCO 9b92752ecae5d7c0bd7bb52b6f94bdc6 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.1 C=CCN(C)CCCS 61cf49fc564e4db05ae16346ec0e4e78 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.1 C=CCN(C)CCOC 35c6a7bb506c9bbb574bc4cf97ada70e [0,1,0,0,0,0|3,0,0]=4 196 B8R0.1 C=CCN(C)CCSC ee9f42aa31f4a8a97ec7d7c915a6bf5a [0,1,0,0,0,0|3,0,0]=4 197 B8R0.1 C=CCN(C)COCC 5ff4c124ad3f579f89631f8abd7975f7 [0,1,0,0,0,0|3,0,0]=4 198 B8R0.1 C=CCNC(C)CCC 36451e2cb7be8df5f7670577a1f566ee [0,1,0,0,0,0|2,0,0]=3 199 B8R0.1 C=CCNC(C)CCO 20392bc249adb293d88033c472c5ba70 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.1 C=CCNC(C)COC 8be0a1a3efe06201dfdebdb472d4b60d [0,1,0,0,0,0|3,0,0]=4 201 B8R0.1 C=CCN[C@@H](C)CCC d5fcdf262c72aeb1e02dde87ad10c66b [0,1,0,0,0,0|2,0,0]=3 202 B8R0.1 C=CCN[C@@H](C)CCO 1b9f49ff05f45441652baa86b54c33fb [0,1,0,0,0,0|3,0,0]=4 203 B8R0.1 C=CCN[C@@H](C)COC aab98976808482653489089b6e41eaad [0,1,0,0,0,0|3,0,0]=4 204 B8R0.1 C=CCN[C@H](C)CCO a742a5ac3ea9b1a9e5ba170dc2102a99 [0,1,0,0,0,0|3,0,0]=4 205 B8R0.1 C=CCN[C@H](C)COC da94bb1b36f0e4246472ca31a9988767 [0,1,0,0,0,0|3,0,0]=4 206 B8R0.1 C=CCOC(=S)CCC 0e2b2dcb05bb2d160479b58f052e05d1 [0,1,0,0,0,0|1,1,0]=3 207 B8R0.1 C=CCOC(C)CCC fbdc613bc45f6b8caccc8ec8a52f0c2d [0,1,0,0,0,0|1,1,0]=3 208 B8R0.1 C=CCOC(C)COC 5cdae24e3deb217752566671cd1e864c [0,1,0,0,0,0|2,1,0]=4 209 B8R0.1 C=CCOC(C)CSC 66d2cdb6f488bc931466771d9a4d5e16 [0,1,0,0,0,0|2,1,0]=4 210 B8R0.1 C=CCO[C@@H](C)CCC 709aabbb80656eae64c78055179b3126 [0,1,0,0,0,0|1,1,0]=3 211 B8R0.1 C=CCO[C@@H](C)COC ddb97d53499bbb5a741daaae71316e95 [0,1,0,0,0,0|2,1,0]=4 212 B8R0.1 C=CCO[C@H](C)CCC 0d000bc310de5de3a03499af588f23c5 [0,1,0,0,0,0|1,1,0]=3 213 B8R0.1 C=CCO[C@H](C)COC 517e372db2b6b0cbc809bc89ea1bfb62 [0,1,0,0,0,0|2,1,0]=4 214 B8R0.1 C=CC[C@@H](C)OCCC d5c9cea8bbf114b9070cd8c5746c3116 [0,1,0,0,0,0|1,1,0]=3 215 B8R0.1 C=CC[C@@H](C)OCCF 0e221b4e3777ac0e75fec6bc777769f9 [0,1,0,0,0,0|2,1,0]=4 216 B8R0.1 C=CC[C@@H](C)OCCS a793bef9b5fb1aecc9937aaba2cf4ca4 [0,1,0,0,0,0|2,1,0]=4 217 B8R0.1 C=CC[C@@H](C)OCOC fcb1b5a2c21edbd89383d6033a63e9ae [0,1,0,0,0,0|2,1,0]=4 218 B8R0.1 C=CC[C@@H](C)OCSC c7295f0bbc48ced0b90bfdbfbefa2e81 [0,1,0,0,0,0|2,1,0]=4 219 B8R0.1 C=CC[C@H](C)OCCC 25f96375986637102dbe5a79fcef6427 [0,1,0,0,0,0|1,1,0]=3 220 B8R0.1 C=CC[C@H](C)OCCF de84939ff1a4fae7b057243706dea173 [0,1,0,0,0,0|2,1,0]=4 221 B8R0.1 C=CC[C@H](C)OCCS 061bef58b35add8d9c046c4e85b43a74 [0,1,0,0,0,0|2,1,0]=4 222 B8R0.1 C=CC[C@H](C)OCOC f258f69d76f9669905c9f9c961e70ed3 [0,1,0,0,0,0|2,1,0]=4 223 B8R0.1 C=CC[C@H](C)OCSC daeb07a08dc35c24216d7d76c9c166e7 [0,1,0,0,0,0|2,1,0]=4 224 B8R0.1 CCCC(=S)OCC=O ee4851bc3a15d19c33e510859df38ec8 [0,1,0,0,0,0|2,1,0]=4 225 B8R0.1 CCCC(C)NCC=O 9f1868c3f1326c5a8444197e6058548a [0,1,0,0,0,0|3,0,0]=4 226 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,1,0,0,0,0|2,1,0]=4 227 B8R0.1 CCCCN(C)CC=O 0b9f4b899180868f46e162e3fdd5a057 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.1 CCCN(C)CCC=O cd4badc64192ce4c537889fd9678d594 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,1,0,0,0,0|3,0,0]=4 230 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,1,0,0,0,0|2,1,0]=4 231 B8R0.1 CCC[C@H](C)NCC=O 344319cad1a5cb6c553f571432cf347f [0,1,0,0,0,0|3,0,0]=4 232 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,1,0,0,0,0|2,1,0]=4 233 B8R0.4 C#CCCCNCC=C 5f2e28ed26be6b1918542a15db0ea2dd [0,1,0,0,0,0|2,0,1]=4 234 B8R0.4 C#CCCCOCC=C c39c47b680023e071738dee179943a8b [0,1,0,0,0,0|1,1,1]=4 235 B8R0.4 C#CCCNCCC=C 9794b7468c99ece409ea6b212e97182c [0,1,0,0,0,0|2,0,1]=4 236 B8R0.4 C#CCCOCCC=C 4c8b9c2c0d72c631a7974d3087fff62e [0,1,0,0,0,0|1,1,1]=4 237 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [0,1,0,0,0,0|3,0,0]=4 238 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [0,1,0,0,0,0|1,1,0]=3 239 B8R0.4 C/C=C/CCOCCF 1c459844ed5e19e9affe0f4ec9396afe [0,1,0,0,0,0|2,1,0]=4 240 B8R0.4 C/C=C/CCOCCS e0f8b3598541264c88a5709e56116110 [0,1,0,0,0,0|2,1,0]=4 241 B8R0.4 C/C=C/CCOCOC 59f8f29dcf4eaa8fa9da1c5f14e4e383 [0,1,0,0,0,0|2,1,0]=4 242 B8R0.4 C/C=C/CCOCSC 6a0ae094543a86afd6da523cd0f1869d [0,1,0,0,0,0|2,1,0]=4 243 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [0,1,0,0,0,0|2,0,0]=3 244 B8R0.4 C/C=C/CNCCCCl 03ba0747791691f90dfc81ef7ba2974e [0,1,0,0,0,0|3,0,0]=4 245 B8R0.4 C/C=C/CNCCCO 534dbd3a195f77398c2b81facabd6eef [0,1,0,0,0,0|3,0,0]=4 246 B8R0.4 C/C=C/CNCCOC 3082ab6e9ace7c63c6f0a5148107963d [0,1,0,0,0,0|3,0,0]=4 247 B8R0.4 C/C=C/CNCCSC 01a3d625f870207109c9c7b543ad0c2f [0,1,0,0,0,0|3,0,0]=4 248 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [0,1,0,0,0,0|1,1,0]=3 249 B8R0.4 C/C=C/COCCCF e8b66bfe85d6e28ae035ab00fcee9995 [0,1,0,0,0,0|2,1,0]=4 250 B8R0.4 C/C=C/COCCCS a0fc1de5b11f9d0613f0ee9c6305a110 [0,1,0,0,0,0|2,1,0]=4 251 B8R0.4 C/C=C/COCCOC 785eaeded120e80d80ee7e223c0ae30a [0,1,0,0,0,0|2,1,0]=4 252 B8R0.4 C/C=C/COCCSC 0e33f377959f752365d583ff90505be8 [0,1,0,0,0,0|2,1,0]=4 253 B8R0.4 C/C=C/COCOCC 83fafc5a971bddf153afd7782635012a [0,1,0,0,0,0|2,1,0]=4 254 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [0,1,0,0,0,0|3,0,0]=4 255 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [0,1,0,0,0,0|2,0,0]=3 256 B8R0.4 C/C=C\CNCCCCl 3f4156c1c818ac8938afc4c777ade544 [0,1,0,0,0,0|3,0,0]=4 257 B8R0.4 C/C=C\CNCCCO 2311985bdb3a9584f5d9b65cd3aa0d3e [0,1,0,0,0,0|3,0,0]=4 258 B8R0.4 C/C=C\CNCCOC 3292568499715e9b97935e8cc4ef79f5 [0,1,0,0,0,0|3,0,0]=4 259 B8R0.4 C/C=C\CNCCSC b860ce8f423a896cb68f33ac1abfe292 [0,1,0,0,0,0|3,0,0]=4 260 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [0,1,0,0,0,0|1,1,0]=3 261 B8R0.4 C/C=C\COCCCF bd16a5f69481739098b25c0b9e7951a1 [0,1,0,0,0,0|2,1,0]=4 262 B8R0.4 C/C=C\COCCCS e488e71b73205058cac2a8d332fe154b [0,1,0,0,0,0|2,1,0]=4 263 B8R0.4 C/C=C\COCCOC 46e2d312cf2f14a6c2819161b290e14d [0,1,0,0,0,0|2,1,0]=4 264 B8R0.4 C/C=C\COCCSC 56999da5f26ee69516587b92c53efdf2 [0,1,0,0,0,0|2,1,0]=4 265 B8R0.4 C/C=C\COCOCC 8821190837d805b84bead9ce40320be3 [0,1,0,0,0,0|2,1,0]=4 266 B8R0.4 C=C/C=C/CCNCC abe888d93c90720b4bafeddab30018c6 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.4 C=C=CCCOCCC 9ed5c65e92b9c5d3410261fc24bf2400 [0,1,0,0,0,0|1,1,0]=3 268 B8R0.4 C=C=CCCOCCF f40e7017906a65586f65aa56e6d85ac0 [0,1,0,0,0,0|2,1,0]=4 269 B8R0.4 C=C=CCCOCCS 723ca99ff484a460d7bc5e5895255b76 [0,1,0,0,0,0|2,1,0]=4 270 B8R0.4 C=C=CCCOCOC e24b81246032baf9568f4ee87007f7e8 [0,1,0,0,0,0|2,1,0]=4 271 B8R0.4 C=C=CCCOCSC c4ece8fa09205945e5a934f8cda688d9 [0,1,0,0,0,0|2,1,0]=4 272 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [0,1,0,0,0,0|2,0,0]=3 273 B8R0.4 C=CCCCCNCF 66d1b08c51ad91b8d794558a3082c457 [0,1,0,0,0,0|3,0,0]=4 274 B8R0.4 C=CCCCCNCO 0b537372ef9331045a9745fddf549658 [0,1,0,0,0,0|3,0,0]=4 275 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [0,1,0,0,0,0|2,0,0]=3 276 B8R0.4 C=CCCCCOCF 652425cff1f9489e7dc290eddd18987a [0,1,0,0,0,0|3,0,0]=4 277 B8R0.4 C=CCCCNCC=C e27c0a4cbdfc3b6d6f5225d2c71dd9d7 [0,1,0,0,0,0|2,0,1]=4 278 B8R0.4 C=CCCCNCCBr 43c775c72da8acf09a20a8db6ce741dc [0,1,0,0,0,0|3,0,0]=4 279 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [0,1,0,0,0,0|2,0,0]=3 280 B8R0.4 C=CCCCNCCF 5aae0c269d267d53802179e4cab94afb [0,1,0,0,0,0|3,0,0]=4 281 B8R0.4 C=CCCCNCCI 441ba7fe4c9dcc0c4d21c4a2bd530b1a [0,1,0,0,0,0|3,0,0]=4 282 B8R0.4 C=CCCCNCCO 8a1b35dc4f0997056aa8d06819d9c2fe [0,1,0,0,0,0|3,0,0]=4 283 B8R0.4 C=CCCCNCCS 2ab638d6017ad22dc1c1beb467a58251 [0,1,0,0,0,0|3,0,0]=4 284 B8R0.4 C=CCCCNCOC 617d1097d149d47807c995b2155094d5 [0,1,0,0,0,0|3,0,0]=4 285 B8R0.4 C=CCCCNCSC 2d25245ea1d2bd3af11d66f6de12b1b9 [0,1,0,0,0,0|3,0,0]=4 286 B8R0.4 C=CCCCOCC=C ad263f502d3183145d3ed088a27f6019 [0,1,0,0,0,0|1,1,1]=4 287 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [0,1,0,0,0,0|1,1,0]=3 288 B8R0.4 C=CCCCOCCF 053da209f8e2fcf3d41519ae567dccd2 [0,1,0,0,0,0|2,1,0]=4 289 B8R0.4 C=CCCCOCCS 230273a3bde125da52158385e7b68364 [0,1,0,0,0,0|2,1,0]=4 290 B8R0.4 C=CCCCOCOC 1dd3d998493040ba8df98fd517ea651d [0,1,0,0,0,0|2,1,0]=4 291 B8R0.4 C=CCCCOCSC 7dc13b8df2da34a1b6ef8defe10e2334 [0,1,0,0,0,0|2,1,0]=4 292 B8R0.4 C=CCCNC/C=C/C 4ccb6d4a5466181c92f31da9f9d13f2f [0,1,0,0,0,0|2,0,1]=4 293 B8R0.4 C=CCCNC/C=C\C 54a5f9c4187e71089766a41283a9f321 [0,1,0,0,0,0|2,0,1]=4 294 B8R0.4 C=CCCNCC#CC 7f8989a42da922606b9fcbe1f24f3f02 [0,1,0,0,0,0|2,0,1]=4 295 B8R0.4 C=CCCNCC=CC d037edea77cb2ac74694bf9895dc0ab4 [0,1,0,0,0,0|2,0,1]=4 296 B8R0.4 C=CCCNCCC#N f719cf7d78ddfa76caccd938bd442473 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.4 C=CCCNCCC=C a8eee7a600a072cdcba3dd1cd63ab5f7 [0,1,0,0,0,0|2,0,1]=4 298 B8R0.4 C=CCCNCCC=O dc8c76cf5e14247b5bfc6b4c26a93331 [0,1,0,0,0,0|2,0,1]=4 299 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [0,1,0,0,0,0|2,0,0]=3 300 B8R0.4 C=CCCNCCCCl 2f80890407d24a4d727a764aa3314000 [0,1,0,0,0,0|2,0,0]=3 301 B8R0.4 C=CCCNCCCF a727d01dc8aa52a771e9ef8cbecd1bb2 [0,1,0,0,0,0|2,0,0]=3 302 B8R0.4 C=CCCNCCCO fe03ee5320fba7694ee66066e81064aa [0,1,0,0,0,0|2,0,0]=3 303 B8R0.4 C=CCCNCCCS b5e2dc034d60fce9646b396f0e9d8f84 [0,1,0,0,0,0|2,0,0]=3 304 B8R0.4 C=CCCNCCOC d3b2c39d815d8d99aea063862b21fe54 [0,1,0,0,0,0|2,0,0]=3 305 B8R0.4 C=CCCNCCON 0de366875d2a68398e2cc136cda7011f [0,1,0,0,0,0|3,0,0]=4 306 B8R0.4 C=CCCNCCSC edc60d95e6e1f18c1ede12af162c8143 [0,1,0,0,0,0|2,0,0]=3 307 B8R0.4 C=CCCNCOCC 019c5c2eeb83b0d217acda6f874337c0 [0,1,0,0,0,0|2,0,0]=3 308 B8R0.4 C=CCCOC/C=C/C d631280c1763f785a03b3040cb129c16 [0,1,0,0,0,0|1,1,1]=4 309 B8R0.4 C=CCCOC/C=C\C c3c90fac970442c1f88131a6471a2602 [0,1,0,0,0,0|1,1,1]=4 310 B8R0.4 C=CCCOCC#CC 5f35d358b14517068ff00476952373eb [0,1,0,0,0,0|1,1,1]=4 311 B8R0.4 C=CCCOCC=CC c7a0ab3a74b3b6a037b51484209ea853 [0,1,0,0,0,0|1,1,1]=4 312 B8R0.4 C=CCCOCCC#N 2bfce7ca5ed408d1d77221a58b62d5a6 [0,1,0,0,0,0|1,1,1]=4 313 B8R0.4 C=CCCOCCC=C 9c8c76b760ae4876f6c334767f6424f2 [0,1,0,0,0,0|1,1,1]=4 314 B8R0.4 C=CCCOCCC=O ec149354374d31933709b7996ee520e0 [0,1,0,0,0,0|1,1,1]=4 315 B8R0.4 C=CCCOCCCC 97ba8da216ed199156e3ec05890dcca1 [0,1,0,0,0,0|1,1,0]=3 316 B8R0.4 C=CCCOCCCF 3fad1ee7845cd193dab2bfc519ad2d31 [0,1,0,0,0,0|1,1,0]=3 317 B8R0.4 C=CCCOCCCS 40f27123e6e7a95472850525bbd82a49 [0,1,0,0,0,0|1,1,0]=3 318 B8R0.4 C=CCCOCCOC 022351562bd5b75ccdae2ce8a7420e05 [0,1,0,0,0,0|1,1,0]=3 319 B8R0.4 C=CCCOCCSC e83f2d78c318b4d5cdd4b25f8f4a6571 [0,1,0,0,0,0|1,1,0]=3 320 B8R0.4 C=CCCOCOCC b8653c6722f9d17f50ddc249f7a52472 [0,1,0,0,0,0|1,1,0]=3 321 B8R0.4 C=CCNCCCC#N 8521448e28d98e46acf61325c1c4270c [0,1,0,0,0,0|2,0,1]=4 322 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [0,1,0,0,0,0|2,0,0]=3 323 B8R0.4 C=CCNCCCCCl 7aa8200102028ee39ddc7037de8d12db [0,1,0,0,0,0|2,0,0]=3 324 B8R0.4 C=CCNCCCCO 14862b294c4ab4be3b007c7c745e5432 [0,1,0,0,0,0|2,0,0]=3 325 B8R0.4 C=CCNCCCCS 48716fb5cc0bbebca36df7c37e5da77d [0,1,0,0,0,0|2,0,0]=3 326 B8R0.4 C=CCNCCCOC 923ce876ed91c87e8cbdf04842c12511 [0,1,0,0,0,0|2,0,0]=3 327 B8R0.4 C=CCNCCCSC 2d032fa75f30b2a66e30d570a29670d9 [0,1,0,0,0,0|2,0,0]=3 328 B8R0.4 C=CCNCCOCC 0140e609049b0aacf5d7bcd5e635cff9 [0,1,0,0,0,0|2,0,0]=3 329 B8R0.4 C=CCNCCSCC 608250712d81357a0c1b58128fe908dc [0,1,0,0,0,0|2,0,0]=3 330 B8R0.4 C=CCOC/C=C/CC 6db13fd1e466efc2bd73c5af74f902bb [0,1,0,0,0,0|1,1,1]=4 331 B8R0.4 C=CCOC/C=C\CC ee88c154ab21aaf2a136d142bf31ff78 [0,1,0,0,0,0|1,1,1]=4 332 B8R0.4 C=CCOCC#CCC e93830f1b81bde8f6a6e3c15b2a5f650 [0,1,0,0,0,0|1,1,1]=4 333 B8R0.4 C=CCOCC/C=C/C bc48ee2476d8663884dff4b3e0a900ad [0,1,0,0,0,0|1,1,1]=4 334 B8R0.4 C=CCOCCC#CC 09a234cfc55c2d71abbdd65f3f1bffaf [0,1,0,0,0,0|1,1,1]=4 335 B8R0.4 C=CCOCCCC#N fbac1a9d5bf58d32ba9354cad3593c29 [0,1,0,0,0,0|1,1,1]=4 336 B8R0.4 C=CCOCCCC=O 2fcafdb9cf3caf9087f3fbeee3f94cae [0,1,0,0,0,0|1,1,1]=4 337 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [0,1,0,0,0,0|1,1,0]=3 338 B8R0.4 C=CCOCCCCF 3ed7f37d0c490b735d4b7f46fe9299e9 [0,1,0,0,0,0|1,1,0]=3 339 B8R0.4 C=CCOCCCCS 5ee463a1daba4f9e9a9624695a91cccc [0,1,0,0,0,0|1,1,0]=3 340 B8R0.4 C=CCOCCCOC 6cdd1cb4e7f2bc1ad50092d2e92d5ed9 [0,1,0,0,0,0|1,1,0]=3 341 B8R0.4 C=CCOCCCSC 5081ad9926844b88206c1580515c6c03 [0,1,0,0,0,0|1,1,0]=3 342 B8R0.4 C=CCOCCOCC f2504b53763d9ba810aab3f8ab9269df [0,1,0,0,0,0|1,1,0]=3 343 B8R0.4 C=CCOCCOCF 06da768d0787925cdfed87b39ead52b1 [0,1,0,0,0,0|2,1,0]=4 344 B8R0.4 C=CCOCCSCC 4edb0350a839460b0e73853c19953683 [0,1,0,0,0,0|1,1,0]=3 345 B8R0.4 C=COCCCNCC d89071dcdb3acfadefaa437a059ee19e [0,1,0,0,0,0|3,0,0]=4 346 B8R0.4 C=COCCNCCC 28cdbba6a7c35ff41b7005cb4f953384 [0,1,0,0,0,0|2,0,0]=3 347 B8R0.4 C=COCCNCCF c4db30a75b11ac3d125d39aaa0bafcf8 [0,1,0,0,0,0|3,0,0]=4 348 B8R0.4 C=COCCNCCO c962ee181883a9d05479745cb560753b [0,1,0,0,0,0|3,0,0]=4 349 B8R0.4 C=COCCNCCS 99e314c6d18b5e25ff66e5c7d4cb0d17 [0,1,0,0,0,0|3,0,0]=4 350 B8R0.4 C=COCCNCOC f224848c336840864306e8775fa9be91 [0,1,0,0,0,0|3,0,0]=4 351 B8R0.4 C=COCCNCSC c600bc4155cdfab00718c182a1d908ce [0,1,0,0,0,0|3,0,0]=4 352 B8R0.4 C=COCCOCCC d3d0232a519269e090de053aa19caca6 [0,1,0,0,0,0|1,1,0]=3 353 B8R0.4 C=COCCOCCF 2bb3cc79cd54325a3b4a658a60f2531e [0,1,0,0,0,0|2,1,0]=4 354 B8R0.4 C=COCCOCCS 1dc3bcdc2ff447de0c7aec1863e71212 [0,1,0,0,0,0|2,1,0]=4 355 B8R0.4 C=COCCOCOC 28985632a82f745364d35b6f4482f6c2 [0,1,0,0,0,0|2,1,0]=4 356 B8R0.4 C=COCCOCSC 1542023f7ad8f1a42415fe567facda9d [0,1,0,0,0,0|2,1,0]=4 357 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [0,1,0,0,0,0|3,0,0]=4 358 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [0,1,0,0,0,0|2,0,0]=3 359 B8R0.4 CC=CCNCCCF b3c3f7a07d4c683b1310ea54eec73a0a [0,1,0,0,0,0|3,0,0]=4 360 B8R0.4 CC=CCNCCCO 9f4f022594f73907b6faf2ecbf4f70ca [0,1,0,0,0,0|3,0,0]=4 361 B8R0.4 CC=CCNCCCS 66bf4e52cf6c2fcd14ea89881803176b [0,1,0,0,0,0|3,0,0]=4 362 B8R0.4 CC=CCNCCOC 474a7e08f93cfe69139646cbfcbe7d9d [0,1,0,0,0,0|3,0,0]=4 363 B8R0.4 CC=CCNCCSC 0622283f77c317bcb57152a39bdf501a [0,1,0,0,0,0|3,0,0]=4 364 B8R0.4 CC=CCNCOCC ec3de25e8441ecebf1cd78a295955e10 [0,1,0,0,0,0|3,0,0]=4 365 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [0,1,0,0,0,0|1,1,0]=3 366 B8R0.4 CC=CCOCCCF 51c4241747d1b03bd1ba385ed0abcd34 [0,1,0,0,0,0|2,1,0]=4 367 B8R0.4 CC=CCOCCCS 9af21dfd25baf7f30dbe6942aafa9961 [0,1,0,0,0,0|2,1,0]=4 368 B8R0.4 CC=CCOCCOC 8cd561eb1f10485c2b1ba8f850cffd6a [0,1,0,0,0,0|2,1,0]=4 369 B8R0.4 CC=CCOCCSC 2614ef02e181335c400b64f125bf5a8f [0,1,0,0,0,0|2,1,0]=4 370 B8R0.4 CC=CCOCOCC c8fa9800ff7a3ee66628e2aa963defd9 [0,1,0,0,0,0|2,1,0]=4 371 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [0,1,0,0,0,0|3,0,0]=4 372 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [0,1,0,0,0,0|3,0,0]=4 373 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [0,1,0,0,0,0|2,1,0]=4 374 B8R0.4 CCCCNC/C=C/Cl aefc90227738a0a04d85ff4e3fb94a96 [0,1,0,0,0,0|2,0,0]=3 375 B8R0.4 CCCCNC/C=C\Cl 95b879f76fb0ff759a3b6bfdbdb337b9 [0,1,0,0,0,0|2,0,0]=3 376 B8R0.4 CCCCNC/C=C\O 030dd5950e83ae29a206c0c1dbd703ac [0,1,0,0,0,0|2,0,0]=3 377 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [0,1,0,0,0,0|2,0,1]=4 378 B8R0.4 CCCCOC/C=C/Cl 568b090b21b75e4cb48d2918836f8eba [0,1,0,0,0,0|1,1,0]=3 379 B8R0.4 CCCCOC/C=C\Cl 9d90a4fa764ef1d03091eed959904ce8 [0,1,0,0,0,0|1,1,0]=3 380 B8R0.4 CCCCOCC=CCl 0f3a0d8674fc69f02691e3930c83fca6 [0,1,0,0,0,0|1,1,0]=3 381 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [0,1,0,0,0,0|1,1,1]=4 382 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [0,1,0,0,0,0|2,0,1]=4 383 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [0,1,0,0,0,0|1,1,1]=4 384 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [0,1,0,0,0,0|1,1,1]=4 385 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [0,1,0,0,0,0|2,1,0]=4 386 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [0,1,0,0,0,0|2,1,0]=4 387 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [0,1,0,0,0,0|1,0,2]=4 388 B8R0.4 CCCSCCOCF 720d0236377e6144f736cd0f4037f880 [0,1,0,0,0,0|2,0,1]=4 389 B8R0.4 CCNCCSCCO 0756ee7e2e7cb3b848634875dd09b614 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [0,1,0,0,0,0|3,0,0]=4 391 B8R0.4 CCOCCNCC=O 9b6362b955c81d6a818d07f93060ce81 [0,1,0,0,0,0|3,0,0]=4 392 B8R0.4 CCOCCOCC=O 0f0b31cfd13d5d1ef62013c36758792f [0,1,0,0,0,0|2,1,0]=4 393 B8R0.4 CCOCOC/C=C/Cl b81243be1fec54ca1946ebc28914fa2e [0,1,0,0,0,0|2,1,0]=4 394 B8R0.4 CCOCOCC=CCl adddf26512072fc7b4e911d3418df700 [0,1,0,0,0,0|2,1,0]=4 395 B8R0.4 CCOCOCCC=O 00ff08f097e74805397d4946d664ecfe [0,1,0,0,0,0|2,1,0]=4 396 B8R0.4 CCSCCNCC=O 8c2eb03b3d86184cc927f5d4b3c77ac6 [0,1,0,0,0,0|3,0,0]=4 397 B8R0.4 CCSCCOCC=O 6eeca61611fda4d213ea1a5d8f547156 [0,1,0,0,0,0|2,1,0]=4 398 B8R0.4 COCCCNCC=O 79f3770a5332c7aa2006f56f8caadfb2 [0,1,0,0,0,0|3,0,0]=4 399 B8R0.4 COCCCOCC=O 0c2e972178898bc6d1628b2f4858b03c [0,1,0,0,0,0|2,1,0]=4 400 B8R0.4 COCCNC/C=C/Cl a1b1d935e54ca0f86ec0bed852c610ac [0,1,0,0,0,0|3,0,0]=4 401 B8R0.4 COCCNC/C=C\Cl c7a8e03128e72f79d2ed62c3464a8f60 [0,1,0,0,0,0|3,0,0]=4 402 B8R0.4 COCCNC/C=C\O 13bebf1afca106dd27e870525bacfbef [0,1,0,0,0,0|3,0,0]=4 403 B8R0.4 COCCNCCC=O 231f83e2145cee673a577fcbc59607dc [0,1,0,0,0,0|3,0,0]=4 404 B8R0.4 COCCOC/C=C/Cl d36d34f68994eec49dbe330cbe20d2f5 [0,1,0,0,0,0|2,1,0]=4 405 B8R0.4 COCCOC/C=C\Cl acf4247a6be926b91c5b4657cbe20d44 [0,1,0,0,0,0|2,1,0]=4 406 B8R0.4 COCCOCC=CCl e41d815adaeb1ef91516917472352b4f [0,1,0,0,0,0|2,1,0]=4 407 B8R0.4 COCCOCCC=O 2cddfa1660d37f7f1ab97a7bd88a1df8 [0,1,0,0,0,0|2,1,0]=4 408 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [0,1,0,0,0,0|2,1,0]=4 410 B8R0.4 CSCCNC/C=C/Cl 823a1a5b76c19d884fb910b8f19886f1 [0,1,0,0,0,0|3,0,0]=4 411 B8R0.4 CSCCNC/C=C\Cl f80b9aaf0cbd8ef0882811815e458c7f [0,1,0,0,0,0|3,0,0]=4 412 B8R0.4 CSCCNC/C=C\O 681ef3c26cbbe7632f3156f1e9d2b2b7 [0,1,0,0,0,0|3,0,0]=4 413 B8R0.4 CSCCNCCC=O 6a9c051f85f5257fb975b52def5686c5 [0,1,0,0,0,0|3,0,0]=4 414 B8R0.4 CSCCOC/C=C/Cl ff46031a26aca11a99b4c0ad47b71629 [0,1,0,0,0,0|2,1,0]=4 415 B8R0.4 CSCCOC/C=C\Cl 3fb958b2d5eab9dcd67ee5a0e02a9ab0 [0,1,0,0,0,0|2,1,0]=4 416 B8R0.4 CSCCOCC=CCl ae6553f496d4bb6713fe0851b7f2486d [0,1,0,0,0,0|2,1,0]=4 417 B8R0.4 CSCCOCCC=O b536dffbb68d78cf6840eddbe6be827c [0,1,0,0,0,0|2,1,0]=4 418 B8R0.4 Cl/C=C/CNCCCCl 830bbf881e999b3825d47e52eefbc7b0 [0,1,0,0,0,0|3,0,0]=4 419 B8R0.4 Cl/C=C\CNCCCCl 110f136b4a7f525cd83ce8b85f61bbdc [0,1,0,0,0,0|3,0,0]=4 420 B8R0.4 FCCCOC/C=C/Cl d0967a8f6e4b1804a14872609cb362f2 [0,1,0,0,0,0|2,1,0]=4 421 B8R0.4 FCCCOC/C=C\Cl b6e07429f21f1651e3a116b491d397df [0,1,0,0,0,0|2,1,0]=4 422 B8R0.4 FCCCOCC=CCl 69b699909646a8b8bc7e63988bf97afa [0,1,0,0,0,0|2,1,0]=4 423 B8R0.4 O/C=C\CNCCCCl db29be0ef4ab6e7b81b2d735c091af58 [0,1,0,0,0,0|3,0,0]=4 424 B8R0.4 O/C=C\CNCCCO 14ada9ed5b23c992c320c0d37acff264 [0,1,0,0,0,0|3,0,0]=4 425 B8R0.4 O=CCCNCCCCl f16c75c276bf2599e9ae201a54b0ee63 [0,1,0,0,0,0|3,0,0]=4 426 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [0,1,0,0,0,0|3,0,0]=4 427 B8R0.4 O=CCCOCCCF 12bf2bf84237f34effc6d41e7d4e1236 [0,1,0,0,0,0|2,1,0]=4 428 B8R0.4 O=CCCOCCCS fa8d8cbc8a3558586641843cfd71f1ec [0,1,0,0,0,0|2,1,0]=4 429 B8R0.4 O=CCNCCCCCl 4eb32c99e72aaf8f46243cc4018004a5 [0,1,0,0,0,0|3,0,0]=4 430 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [0,1,0,0,0,0|3,0,0]=4 431 B8R0.4 O=CCNCCCCS 87cb67d97c5146189dcb0b12c7de3eeb [0,1,0,0,0,0|3,0,0]=4 432 B8R0.4 O=CCOCCCCF 1f1ad11e7509bf0f0a0f4a0a60b01a6b [0,1,0,0,0,0|2,1,0]=4 433 B8R0.4 O=CCOCCCCS 65f9d64787faff90f142a6384e5b9a2f [0,1,0,0,0,0|2,1,0]=4 434 B8R0.4 O=CNCCSCCO 6350af265f31b9f5de0271d49057ec24 [0,1,0,0,0,0|3,0,0]=4 435 B8R0.4 OCCCNC/C=C/Cl a17a1b53f58468b152bb7bf06941b0c6 [0,1,0,0,0,0|3,0,0]=4 436 B8R0.4 OCCCNC/C=C\Cl 523d4e539a4b22a363005ae021d9b8b4 [0,1,0,0,0,0|3,0,0]=4 437 B8R0.4 SCCCOC/C=C/Cl 1b26a01fb74c2d88bc9190b137e4e1c5 [0,1,0,0,0,0|2,1,0]=4 438 B8R0.4 SCCCOC/C=C\Cl f58f711743b2331f21ad0ee68b68ed0e [0,1,0,0,0,0|2,1,0]=4 439 B8R0.4 SCCCOCC=CCl aa3ff5774512124ae9b118d76b9ffcc9 [0,1,0,0,0,0|2,1,0]=4 440 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,1,0,0,0,0|2,0,1]=4 441 B8R0.6 C=CC(C)COCCC 44d56174efc54cb83bc77db41ae3625b [0,1,0,0,0,0|1,1,0]=3 442 B8R0.6 C=CC(C)COCCF 52bd07118bb081edc55a2a545a753f00 [0,1,0,0,0,0|2,1,0]=4 443 B8R0.6 C=CC(C)COCCS 54add0fb8811a240b8fe42ef348cdf83 [0,1,0,0,0,0|2,1,0]=4 444 B8R0.6 C=CC(C)COCOC 36b22a073b85f5a3908a00fc993d396f [0,1,0,0,0,0|2,1,0]=4 445 B8R0.6 C=CC(C)COCSC d60c37c9b8b9544a4942aa0b359a9dd7 [0,1,0,0,0,0|2,1,0]=4 446 B8R0.6 C=CC(C)NCCCC d3c1bcd103c726a70c57dba401d7cda5 [0,1,0,0,0,0|2,0,0]=3 447 B8R0.6 C=CC(C)NCCCCl 2c0425a355b93be0cccbe28b5737630a [0,1,0,0,0,0|3,0,0]=4 448 B8R0.6 C=CC(C)NCCCF 81a11e1ce99b4e8f25c40cbbc2e8fee0 [0,1,0,0,0,0|3,0,0]=4 449 B8R0.6 C=CC(C)NCCCO 2d9cfab7f333bcb59c9f88b477754a7a [0,1,0,0,0,0|3,0,0]=4 450 B8R0.6 C=CC(C)NCCCS 17b570e4bd0573fa5e2cb191fe00ce05 [0,1,0,0,0,0|3,0,0]=4 451 B8R0.6 C=CC(C)NCCOC a710c3e2053d147ad52da620b12b4dba [0,1,0,0,0,0|3,0,0]=4 452 B8R0.6 C=CC(C)NCCSC 8425f511f44ba9a1b0ec38b4e3fde6ae [0,1,0,0,0,0|3,0,0]=4 453 B8R0.6 C=CC(C)NCOCC 82446d644bc5bc51b133501fed7cbaa9 [0,1,0,0,0,0|3,0,0]=4 454 B8R0.6 C=CC(C)OCCCC 3812f369847623dc787403ff6cc0c7db [0,1,0,0,0,0|1,1,0]=3 455 B8R0.6 C=CC(C)OCCCF 391e75342a3a96d48fa172784afc3e86 [0,1,0,0,0,0|2,1,0]=4 456 B8R0.6 C=CC(C)OCCCS d82bea49057cfbf3bfb207fb972caab6 [0,1,0,0,0,0|2,1,0]=4 457 B8R0.6 C=CC(C)OCCOC 09d77702067eb13bcf91be584839041e [0,1,0,0,0,0|2,1,0]=4 458 B8R0.6 C=CC(C)OCCSC c47a8adc31b21580a72d0c35a8639530 [0,1,0,0,0,0|2,1,0]=4 459 B8R0.6 C=CC(C)OCOCC b3fe987ebcbd70b56a9292725d5f1628 [0,1,0,0,0,0|2,1,0]=4 460 B8R0.6 C=CC(O)CNCCC 250d400a4869db06d0ddc8aa5ab26738 [0,1,0,0,0,0|2,0,0]=3 461 B8R0.6 C=CC(O)CNCCF 0d4993498a1055847724e70ade581451 [0,1,0,0,0,0|3,0,0]=4 462 B8R0.6 C=CC(O)CNCCO 7f00d2ff0d27f8b814277143a2bc18f9 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.6 C=CC(O)CNCCS 4e0c558cb75acbabb0690b53be293642 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.6 C=CC(O)CNCOC 9e4daa80151f490572899ba2872e6457 [0,1,0,0,0,0|3,0,0]=4 465 B8R0.6 C=CC(O)CNCSC ccd36626b3942410e77d689a28d70952 [0,1,0,0,0,0|3,0,0]=4 466 B8R0.6 C=CCCCN(C)CC 1bec5e770716bf844a25a95ad899a7c4 [0,1,0,0,0,0|3,0,0]=4 467 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,1,0,0,0,0|2,0,1]=4 468 B8R0.6 C=CCCNC(C)CC f885cbdaaa18710cec8775d0fc08c804 [0,1,0,0,0,0|2,0,0]=3 469 B8R0.6 C=CCCNC(C)CO 4c19367b66c3870cb1b9b059820dfae4 [0,1,0,0,0,0|3,0,0]=4 470 B8R0.6 C=CCCN[C@@H](C)CC 999e8371ea0e07c999dbfb955513b106 [0,1,0,0,0,0|2,0,0]=3 471 B8R0.6 C=CCCN[C@@H](C)CO bd75d5ba5552ec3b4468e50c48f577dc [0,1,0,0,0,0|3,0,0]=4 472 B8R0.6 C=CCCN[C@H](C)CC 07aa1c8af6a68bcbd328411f213e0d5f [0,1,0,0,0,0|2,0,0]=3 473 B8R0.6 C=CCCN[C@H](C)CO dcb6aa26546bb9950f8526419d01344b [0,1,0,0,0,0|3,0,0]=4 474 B8R0.6 C=CCCOC(C)CC b8bb0fe92dd0d23b9879350a5841a976 [0,1,0,0,0,0|1,1,0]=3 475 B8R0.6 C=CCCOC(C)CF 0e487925b38dfe7a8f30a61d464d191c [0,1,0,0,0,0|2,1,0]=4 476 B8R0.6 C=CCCOC(C)CS b8f1fc30072621f664eef040a9b38cb9 [0,1,0,0,0,0|2,1,0]=4 477 B8R0.6 C=CCCO[C@@H](C)CC 29dfa30bd98e5dbf9563047158a37aea [0,1,0,0,0,0|1,1,0]=3 478 B8R0.6 C=CCCO[C@H](C)CC 5cad605e23fae06ae0f8741c6fbdd602 [0,1,0,0,0,0|1,1,0]=3 479 B8R0.6 C=CCCO[C@H](C)CS 50de7baf66874e07c349214eaf94a3db [0,1,0,0,0,0|2,1,0]=4 480 B8R0.6 C=CCNCC(Br)CBr dcd3e214a90f33c2f590e52e035a037e [0,1,0,0,0,0|3,0,0]=4 481 B8R0.6 C=CCNCC(C)CC 494ce94604ac38dadc94644e86d6a10d [0,1,0,0,0,0|2,0,0]=3 482 B8R0.6 C=CCNCC(C)CO 0349751dd72119d1ec86991336485e44 [0,1,0,0,0,0|3,0,0]=4 483 B8R0.6 C=CCNCC(F)CO 3273093c24bd04a1388c4be3f055a1bd [0,1,0,0,0,0|3,0,0]=4 484 B8R0.6 C=CCNCC(O)CC 5db360d29daafe062d6edb9c4c1b2a38 [0,1,0,0,0,0|2,0,0]=3 485 B8R0.6 C=CCNCC(O)CO 12d9c7ed6f0bf5fa1ee3b1fd1316b921 [0,1,0,0,0,0|3,0,0]=4 486 B8R0.6 C=CCNC[C@@H](C)CC 10564aa737f9984860d65735a5b1d4f7 [0,1,0,0,0,0|2,0,0]=3 487 B8R0.6 C=CCNC[C@@H](C)OC b7562211711e7dd3c0c532f66c1ea725 [0,1,0,0,0,0|3,0,0]=4 488 B8R0.6 C=CCNC[C@@H](F)CO dafaeca7b3733d0b2d5cbf1a0965d5be [0,1,0,0,0,0|3,0,0]=4 489 B8R0.6 C=CCNC[C@@H](O)CO d201d03248462fb29c2769fa551c9908 [0,1,0,0,0,0|3,0,0]=4 490 B8R0.6 C=CCNC[C@H](C)CO 83df800fa1fe19eaa9c32210c081717f [0,1,0,0,0,0|3,0,0]=4 491 B8R0.6 C=CCNC[C@H](C)OC f2ade53da8dc35e9501abf5457bf836b [0,1,0,0,0,0|3,0,0]=4 492 B8R0.6 C=CCNC[C@H](F)CO ca8ee44d16ad2f6912e3c6ad8291cb79 [0,1,0,0,0,0|3,0,0]=4 493 B8R0.6 C=CCNC[C@H](O)CC 8931fa143d036244108e7a41dc0ec5c3 [0,1,0,0,0,0|2,0,0]=3 494 B8R0.6 C=CCNC[C@H](O)CO 16898f67ff229b2336da87db45ab0890 [0,1,0,0,0,0|3,0,0]=4 495 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,1,0,0,0,0|1,1,1]=4 496 B8R0.6 C=CCOCC(Br)CBr 0f3f053a4f1a86de501a97dd6bbe9b67 [0,1,0,0,0,0|2,1,0]=4 497 B8R0.6 C=CCOCC(C)CC 80dd01c33214aee04f213ff4b3d8b154 [0,1,0,0,0,0|1,1,0]=3 498 B8R0.6 C=CCOCC(C)OC 5e8d34ad1209ea0db8a9ab36af63874c [0,1,0,0,0,0|2,1,0]=4 499 B8R0.6 C=CCOCC(Cl)CCl 5f52bf7b497bef46e1f04825d0106bea [0,1,0,0,0,0|2,1,0]=4 500 B8R0.6 C=CCOCC(S)CS 6cadf0e0c67e078d0018f38326027c6d [0,1,0,0,0,0|2,1,0]=4 501 B8R0.6 C=CCOC[C@@H](C)CC 33cb2ec72dfd50721c249724597568dd [0,1,0,0,0,0|1,1,0]=3 502 B8R0.6 C=CCOC[C@@H](C)OC 56af6ef64f40f572849a587c987a9fb6 [0,1,0,0,0,0|2,1,0]=4 503 B8R0.6 C=CCOC[C@H](C)CC ea37bcd01cf18ce9e17869382a85446c [0,1,0,0,0,0|1,1,0]=3 504 B8R0.6 C=CCOC[C@H](C)OC 19fb47c1068b524cb2a6d3cb74d2934d [0,1,0,0,0,0|2,1,0]=4 505 B8R0.6 C=C[C@H](C)OCCCC 6f75a1cf1960988ac4681ce717df1b6f [0,1,0,0,0,0|1,1,0]=3 506 B8R0.6 C=C[C@H](C)OCCCF f055e825519b792e80e87c473a2174e6 [0,1,0,0,0,0|2,1,0]=4 507 B8R0.6 C=C[C@H](C)OCCCS c53c343e3514792868d832724fd010d7 [0,1,0,0,0,0|2,1,0]=4 508 B8R0.6 C=C[C@H](C)OCCOC 10518672c3d1ae8f1a6ef4d9db274776 [0,1,0,0,0,0|2,1,0]=4 509 B8R0.6 C=C[C@H](C)OCCSC 8f4acec3cd799969e87a449279b388d4 [0,1,0,0,0,0|2,1,0]=4 510 B8R0.6 C=C[C@H](C)OCOCC 0e2d8b797005792bb10559c557f6c5b7 [0,1,0,0,0,0|2,1,0]=4 511 B8R0.6 CCC(C)CNCC=O d00b0f81a0565e49d0bc6374b24732a9 [0,1,0,0,0,0|3,0,0]=4 512 B8R0.6 CCC(C)COCC=O aceccf78c40e809dde74393b828702d0 [0,1,0,0,0,0|2,1,0]=4 513 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [0,1,0,0,0,0|3,0,0]=4 514 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [0,1,0,0,0,0|2,1,0]=4 515 B8R0.6 CCC(O)CNCC=O 54e64a65f08901b7347dcf1abc24dda0 [0,1,0,0,0,0|3,0,0]=4 516 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,1,0,0,0,0|3,0,0]=4 517 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,1,0,0,0,0|3,0,0]=4 518 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,1,0,0,0,0|2,1,0]=4 519 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,1,0,0,0,0|2,1,0]=4 520 B8R0.6 CC[C@@H](C)COCC=O c20d93b7abbfab6c6470d540cd7a9908 [0,1,0,0,0,0|2,1,0]=4 521 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [0,1,0,0,0,0|3,0,0]=4 522 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [0,1,0,0,0,0|2,1,0]=4 523 B8R0.6 CC[C@@H](O)CNCC=O e6c97da33124e077a1a003eda729d8a4 [0,1,0,0,0,0|3,0,0]=4 524 B8R0.6 CC[C@H](C)CNCC=O 2b0760fdc9935c799222d1a5925541c3 [0,1,0,0,0,0|3,0,0]=4 525 B8R0.6 CC[C@H](C)COCC=O 96abd8316d02f524642d5d119877059b [0,1,0,0,0,0|2,1,0]=4 526 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [0,1,0,0,0,0|3,0,0]=4 527 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [0,1,0,0,0,0|2,1,0]=4 528 B8R0.7 C=C(Br)CCOCCC 724052c822c0bef7448f44a794bff992 [0,1,0,0,0,0|1,1,0]=3 529 B8R0.7 C=C(Br)CCOCCF 9c9798a7b43efb90b886758df6a738de [0,1,0,0,0,0|2,1,0]=4 530 B8R0.7 C=C(Br)CCOCCS 48b875edf0fb524e953a85b596cbf8dd [0,1,0,0,0,0|2,1,0]=4 531 B8R0.7 C=C(Br)CCOCOC c1c84f126d3fd57a0b0e1be8314eb30f [0,1,0,0,0,0|2,1,0]=4 532 B8R0.7 C=C(Br)CCOCSC dc07dbda02c200711970a954014d26e1 [0,1,0,0,0,0|2,1,0]=4 533 B8R0.7 C=C(Br)CNCCCC 7c9c44e81bf00a83350435698bbd8321 [0,1,0,0,0,0|2,0,0]=3 534 B8R0.7 C=C(Br)CNCCCCl 5d2b43e8986d544e367241db5e9268ac [0,1,0,0,0,0|3,0,0]=4 535 B8R0.7 C=C(Br)CNCCCF 51ab428a414cc4c9404ed8a51a5a7737 [0,1,0,0,0,0|3,0,0]=4 536 B8R0.7 C=C(Br)CNCCCO 9593077d2863d607f3d2693354ee7a70 [0,1,0,0,0,0|3,0,0]=4 537 B8R0.7 C=C(Br)CNCCCS b0b9d90e638f2808750705a6c9ac139a [0,1,0,0,0,0|3,0,0]=4 538 B8R0.7 C=C(Br)CNCCOC 2f37d09dfbde25a8329e0bab5cba9d06 [0,1,0,0,0,0|3,0,0]=4 539 B8R0.7 C=C(Br)CNCCSC 5b1a1ae0f5347cb228c1a769729a44d5 [0,1,0,0,0,0|3,0,0]=4 540 B8R0.7 C=C(Br)CNCOCC dba29b361cca4942dba533d01e62fe36 [0,1,0,0,0,0|3,0,0]=4 541 B8R0.7 C=C(Br)COCCCC ec6d613824c971053aa03d22d6526bd3 [0,1,0,0,0,0|1,1,0]=3 542 B8R0.7 C=C(Br)COCCCF 485710d025a81dcbbf1b6346554cf146 [0,1,0,0,0,0|2,1,0]=4 543 B8R0.7 C=C(Br)COCCCS fe1c867f52f3b335087c547702385f29 [0,1,0,0,0,0|2,1,0]=4 544 B8R0.7 C=C(Br)COCCOC 2da701a5c4237e918809768f71501c67 [0,1,0,0,0,0|2,1,0]=4 545 B8R0.7 C=C(Br)COCCSC 8115612421b5124e936093469c623be0 [0,1,0,0,0,0|2,1,0]=4 546 B8R0.7 C=C(C)CCCOCC 36ef5adff872f4dda81f11eae3241c37 [0,1,0,0,0,0|3,0,0]=4 547 B8R0.7 C=C(C)CCNCCBr 7ced6d8c6e32bc1f876500890047cded [0,1,0,0,0,0|3,0,0]=4 548 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.7 C=C(C)CCNCCF 8569016bcb7348aaa45008d66f5f6a2c [0,1,0,0,0,0|3,0,0]=4 550 B8R0.7 C=C(C)CCNCCI d20ef749df3249ef9aaad80f778516f3 [0,1,0,0,0,0|3,0,0]=4 551 B8R0.7 C=C(C)CCNCCO 21920b0882725c69be4c5ff08469b5db [0,1,0,0,0,0|3,0,0]=4 552 B8R0.7 C=C(C)CCNCCS 2f2e2170dcd696655a54f1153dbc50c6 [0,1,0,0,0,0|3,0,0]=4 553 B8R0.7 C=C(C)CCNCOC 7be90491ee700292d0e2b62ea3c5d946 [0,1,0,0,0,0|3,0,0]=4 554 B8R0.7 C=C(C)CCNCSC 0537b76f67ce88918e3939b8c0661738 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.7 C=C(C)CCOCCC 845281f0f16ba18f3aad20093af18d36 [0,1,0,0,0,0|1,1,0]=3 556 B8R0.7 C=C(C)CCOCCF cad086a36984e044fb55164106973801 [0,1,0,0,0,0|2,1,0]=4 557 B8R0.7 C=C(C)CCOCCS c14b0067a06142591fd279d6fe25eb06 [0,1,0,0,0,0|2,1,0]=4 558 B8R0.7 C=C(C)CCOCOC 2d580783ee3d7b7a5ba6e90b0c9cd47a [0,1,0,0,0,0|2,1,0]=4 559 B8R0.7 C=C(C)CCOCSC 8b354d12fad36f04225eaa7c7e6282c1 [0,1,0,0,0,0|2,1,0]=4 560 B8R0.7 C=C(C)CNCCCC 47f5fb139675fc765be0663116650609 [0,1,0,0,0,0|2,0,0]=3 561 B8R0.7 C=C(C)CNCCCCl 846c99a3b9539c7d1bf408b5c7720df3 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.7 C=C(C)CNCCCF beb220b1f62c61215fe4088c375ae748 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [0,1,0,0,0,0|3,0,0]=4 564 B8R0.7 C=C(C)CNCCCS 0a6e65af8417b99414a8ba398cfdd355 [0,1,0,0,0,0|3,0,0]=4 565 B8R0.7 C=C(C)CNCCOC 9d11af89280f819077ad9c1b1c3e595f [0,1,0,0,0,0|3,0,0]=4 566 B8R0.7 C=C(C)CNCCSC 3f20f05b0e16d23c2ebfc029ac4818f9 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.7 C=C(C)CNCOCC 5232fb2ea1283f6a12b07e7e1960cc36 [0,1,0,0,0,0|3,0,0]=4 568 B8R0.7 C=C(C)COCCCC 260d3670dc084e87502d9a9ffe570e3c [0,1,0,0,0,0|1,1,0]=3 569 B8R0.7 C=C(C)COCCCF d7bfb5949c51972c3e54f6e8bca91cae [0,1,0,0,0,0|2,1,0]=4 570 B8R0.7 C=C(C)COCCCS ce1f8ade88868e163cf874f2fb32694a [0,1,0,0,0,0|2,1,0]=4 571 B8R0.7 C=C(C)COCCOC 4c97b3aa85916d5020a98673772e2c8a [0,1,0,0,0,0|2,1,0]=4 572 B8R0.7 C=C(C)COCCSC f6054d02b49bf489f798212392eec68c [0,1,0,0,0,0|2,1,0]=4 573 B8R0.7 C=C(C)COCOCC 386ffc84facf9cdf98d22feeb307d2d3 [0,1,0,0,0,0|2,1,0]=4 574 B8R0.7 C=C(Cl)CNCCCC 8cde48ce042cc357f299abd3d75de5f6 [0,1,0,0,0,0|2,0,0]=3 575 B8R0.7 C=C(Cl)CNCCCCl ebbec9e24712b23eb0ae6771f8e7becf [0,1,0,0,0,0|3,0,0]=4 576 B8R0.7 C=C(Cl)CNCCCO 3beb85068c88a196e26a5ca82d7fe904 [0,1,0,0,0,0|3,0,0]=4 577 B8R0.7 C=C(Cl)CNCCOC d2b942d0401395267b6bea2fb57d8d54 [0,1,0,0,0,0|3,0,0]=4 578 B8R0.7 C=C(Cl)CNCCSC 510ed02e52d250f4e3877597d05cc565 [0,1,0,0,0,0|3,0,0]=4 579 B8R0.7 C=C(Cl)COCCCC b9221f326393a29bb0b2b7fc0007ae8a [0,1,0,0,0,0|1,1,0]=3 580 B8R0.7 C=C(Cl)COCCCF df0ebcd5a5ec043e11fa10511cec886d [0,1,0,0,0,0|2,1,0]=4 581 B8R0.7 C=C(Cl)COCCCS 7160b6ab4d2287624a72daa9ac553ab9 [0,1,0,0,0,0|2,1,0]=4 582 B8R0.7 C=C(Cl)COCCOC 9cc11464b40b31027021ebe38caf2a78 [0,1,0,0,0,0|2,1,0]=4 583 B8R0.7 C=C(Cl)COCCSC f3861298614a897487da4435e963ef56 [0,1,0,0,0,0|2,1,0]=4 584 B8R0.7 C=C(Cl)COCOCC c9236da3ba1778fd40c20ee616eee0fa [0,1,0,0,0,0|2,1,0]=4 585 B8R0.7 C=C(F)CNCCCC d50f3d468cf2542e6029912d15cd6fb8 [0,1,0,0,0,0|2,0,0]=3 586 B8R0.7 C=C(F)CNCCCCl 8d59dce5957364b9e5381ffb12e4c05a [0,1,0,0,0,0|3,0,0]=4 587 B8R0.7 C=C(F)CNCCCO 72f99c7c070c8ad65be7786b4c8e1816 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.7 C=C(F)CNCCOC dae00dbc2d8543adc1568efb181171e9 [0,1,0,0,0,0|3,0,0]=4 589 B8R0.7 C=C(F)CNCCSC d0c31b69c02ec918e82a738748803c26 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.7 C=C(F)COCCCC 985eead93b4fa2eb0f6e6420dae41362 [0,1,0,0,0,0|1,1,0]=3 591 B8R0.7 C=C(F)COCCCF ed746bbd677565603e8ef1e29192c14e [0,1,0,0,0,0|2,1,0]=4 592 B8R0.7 C=C(F)COCCCS 4276a5a15f1500b7d0fe0d36afab567a [0,1,0,0,0,0|2,1,0]=4 593 B8R0.7 C=C(F)COCCOC 823e22cf931d1dcb421932f5eadd6cab [0,1,0,0,0,0|2,1,0]=4 594 B8R0.7 C=C(F)COCCSC e51737a42dec5b58b92e49d087c27bec [0,1,0,0,0,0|2,1,0]=4 595 B8R0.7 C=C(I)COCCCC ad06c21e680b3d0f2a946d2102fcc07e [0,1,0,0,0,0|1,1,0]=3 596 B8R0.7 C=C(I)COCCCF 98b86b232aa85ec97d29d3e3c401b763 [0,1,0,0,0,0|2,1,0]=4 597 B8R0.7 C=C(I)COCCCS b6d1e77e6cd735be750b12b13ee107c1 [0,1,0,0,0,0|2,1,0]=4 598 B8R0.7 C=C(I)COCCOC 9ba8f616af692aab0102499d760cb0fd [0,1,0,0,0,0|2,1,0]=4 599 B8R0.7 C=C(I)COCCSC c966d9f86e479c95cf6527498693e642 [0,1,0,0,0,0|2,1,0]=4 600 B8R0.7 C=C(I)COCOCC b942b2ec49271bb9aab579dd8a171d5c [0,1,0,0,0,0|2,1,0]=4 601 B8R0.7 C=CCCCNC(C)C 894cae9fc935a78c0b067be4248ffc85 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.7 C=CCCCOC(C)C 44f540e8992dd6ebc85c497ca5bd3da7 [0,1,0,0,0,0|3,0,0]=4 603 B8R0.7 C=CCCNCC(=C)C 76302fd2591a41232d3b319ec3096bcf [0,1,0,0,0,0|2,0,1]=4 604 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [0,1,0,0,0,0|2,0,1]=4 605 B8R0.7 C=CCCNCC(C)C 1982685da06926e0cc923f857859a0da [0,1,0,0,0,0|2,0,0]=3 606 B8R0.7 C=CCCNCC(C)O 4e6571e99dcee760d886b22b570b5c1d [0,1,0,0,0,0|2,0,0]=3 607 B8R0.7 C=CCCNCC(F)F 2fe0f00eb635a3bb191031cd7d95e772 [0,1,0,0,0,0|3,0,0]=4 608 B8R0.7 C=CCCNCN(C)C eceb5ac379e24d8757be166f331f1f73 [0,1,0,0,0,0|3,0,0]=4 609 B8R0.7 C=CCCNC[C@@H](C)O 3bfe2cc9bba1b6e9c950926ca5be5329 [0,1,0,0,0,0|2,0,0]=3 610 B8R0.7 C=CCCNC[C@H](C)O a4471c07315e747de28477afc10e9fee [0,1,0,0,0,0|2,0,0]=3 611 B8R0.7 C=CCCOCC(=C)C c7b7da80aa0d19abe69656ec6426f493 [0,1,0,0,0,0|1,1,1]=4 612 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [0,1,0,0,0,0|1,1,1]=4 613 B8R0.7 C=CCCOCC(C)C f8f56569331f47ab6b85f26977d0706c [0,1,0,0,0,0|1,1,0]=3 614 B8R0.7 C=CCCOCC(C)F 35268cb4c3d8d39c50e552ba36723a50 [0,1,0,0,0,0|1,1,0]=3 615 B8R0.7 C=CCCOCC(C)S 0b13fb2271dc81ae4874cca9b955c6d8 [0,1,0,0,0,0|1,1,0]=3 616 B8R0.7 C=CCCOCC(F)F 6260197839e9b0bd53c38105376f5ce4 [0,1,0,0,0,0|2,1,0]=4 617 B8R0.7 C=CCCOCN(C)C 5bd37421946c502614179aa125c68111 [0,1,0,0,0,0|2,1,0]=4 618 B8R0.7 C=CCCOC[C@@H](C)F 33ed1a4a48834dadd0ef0c94077124ed [0,1,0,0,0,0|1,1,0]=3 619 B8R0.7 C=CCCOC[C@H](C)F f03681ee0a33fbb7ce4605edeb70867a [0,1,0,0,0,0|1,1,0]=3 620 B8R0.7 C=CCNCCC(=C)C e1ece5aaf51742689634160a6473c00c [0,1,0,0,0,0|2,0,1]=4 621 B8R0.7 C=CCNCCC(C)C 02f8ade1f1fe2a42fcd16f311d553eac [0,1,0,0,0,0|2,0,0]=3 622 B8R0.7 C=CCNCCC(C)O 1fed6d4363741bd7ad41e738315a760d [0,1,0,0,0,0|2,0,0]=3 623 B8R0.7 C=CCNCCC(F)F 00feac2f022fbea9446017d3a5daab19 [0,1,0,0,0,0|3,0,0]=4 624 B8R0.7 C=CCNCCN(C)C 1b3ce81826c26bea5ab385b244bc798b [0,1,0,0,0,0|3,0,0]=4 625 B8R0.7 C=CCNCCS(=O)C e6c8e6fbeb45e19f52070af4b457befa [0,1,0,0,0,0|3,0,0]=4 626 B8R0.7 C=CCNCC[C@@H](C)O eb18158b4edf95e8d76cbe758b4cff9f [0,1,0,0,0,0|2,0,0]=3 627 B8R0.7 C=CCNCC[C@H](C)O 4473edaccfa79377adf605e73cbba0bd [0,1,0,0,0,0|2,0,0]=3 628 B8R0.7 C=CCOCCC(=C)C 7e1709490e00f3635bad6c701b48ead8 [0,1,0,0,0,0|1,1,1]=4 629 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [0,1,0,0,0,0|1,1,1]=4 630 B8R0.7 C=CCOCCC(C)C dc2b2939e1232ad92646d1a4f0a37a80 [0,1,0,0,0,0|1,1,0]=3 631 B8R0.7 C=CCOCCC(F)F b5e1a9f7594fe176cf88dcb350f843cd [0,1,0,0,0,0|2,1,0]=4 632 B8R0.7 C=CCOCCN(C)C 396f0cb9f4d9139b3793f0355979ea47 [0,1,0,0,0,0|2,1,0]=4 633 B8R0.7 C=CCOCCS(=O)C 080f8a20cdcacfdf3cf78abb0a4ef050 [0,1,0,0,0,0|2,1,0]=4 634 B8R0.7 CC(C)CCNCC=O 7f31486d3b2c7da3640d8a6a2c90d7ec [0,1,0,0,0,0|3,0,0]=4 635 B8R0.7 CC(C)CCOCC=O c3d2780edfa1fb6d6d194e7c0384e701 [0,1,0,0,0,0|2,1,0]=4 636 B8R0.7 CC(C)CNCCC=O c6d6e4834d14f931aabc475254ed07bc [0,1,0,0,0,0|3,0,0]=4 637 B8R0.7 CC(C)COCCC=O 0606e6b209ad758c0703a3db270b4a8f [0,1,0,0,0,0|2,1,0]=4 638 B8R0.7 CC(F)COCCC=O 1721f092429c0c96e4348392f19d4316 [0,1,0,0,0,0|2,1,0]=4 639 B8R0.7 CC(O)CCNCC=O 9cf0036a3003ba539050104e2775dce4 [0,1,0,0,0,0|3,0,0]=4 640 B8R0.7 CC(O)CNCCC=O a4922223293093343e687f0f88cdb1fd [0,1,0,0,0,0|3,0,0]=4 641 B8R0.7 CC(S)COCCC=O a7a3c25c049b5dea5756d7eedb9dd76b [0,1,0,0,0,0|2,1,0]=4 642 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,1,0,0,0,0|2,0,1]=4 643 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [0,1,0,0,0,0|3,0,0]=4 644 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,1,0,0,0,0|3,0,0]=4 645 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,1,0,0,0,0|1,1,1]=4 646 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [0,1,0,0,0,0|2,1,0]=4 647 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,1,0,0,0,0|2,1,0]=4 648 B8R0.7 CCCCOCC(=S)N 66f00256fcd5080323facaf554f24131 [0,1,0,0,0,0|2,1,0]=4 649 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [0,1,0,0,0,0|3,0,0]=4 651 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,1,0,0,0,0|3,0,0]=4 652 B8R0.7 CCCNCCC(=S)N 9bd19729128b21bf5f6ba43475b023e4 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,1,0,0,0,0|1,1,1]=4 654 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [0,1,0,0,0,0|2,1,0]=4 655 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,1,0,0,0,0|2,1,0]=4 656 B8R0.7 C[C@@H](F)COCCC=O b2bd9789cc544f1c8e31a32db2a661d9 [0,1,0,0,0,0|2,1,0]=4 657 B8R0.7 C[C@@H](O)CCNCC=O a9020fd357d1f95ddbb3ee9465870652 [0,1,0,0,0,0|3,0,0]=4 658 B8R0.7 C[C@@H](O)CNCCC=O 7d91813785f65cc63c3d9cbb3ff309cf [0,1,0,0,0,0|3,0,0]=4 659 B8R0.7 C[C@H](F)COCCC=O c2ecfe080abe2207069b2c51ff72d431 [0,1,0,0,0,0|2,1,0]=4 660 B8R0.7 C[C@H](O)CCNCC=O bedbd11e9379692d602aa1c619cc418f [0,1,0,0,0,0|3,0,0]=4 661 B8R0.7 C[C@H](O)CNCCC=O 450069e6f027c46eb6d29b2b31e57c5c [0,1,0,0,0,0|3,0,0]=4 662 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [0,0,0,1,0,0|3,0,0]=4 663 B8R1.8 C=CCN1CCSC1 c7bae508a3ddd5996edad585492313e9 [0,0,0,1,0,0|3,0,0]=4 664 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [0,0,0,1,0,0|2,0,1]=4 665 B8R1.8 CCNc1ccns1 2d79a3b4135a06a1b489318190c2601d [0,0,0,1,0,0|3,0,0]=4 666 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,0,0,1,0,0|3,0,0]=4 667 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [0,0,0,1,0,0|2,0,1]=4 668 B8R1.9 C=C1CC1COCC e60a01e41c746d08a053302fe8867db6 [0,0,0,1,0,0|3,0,0]=4 669 B8R1.9 C=CCNC1CC1C b0ff888915c2d21b161d67161a001a2b [0,0,0,1,0,0|2,0,0]=3 670 B8R1.9 C=CCN[C@@H]1C[C@H]1F 9c58b91285fc07d9524376c7c6c497ef [0,0,0,1,0,0|3,0,0]=4 671 B8R1.9 C=CCN[C@H]1C[C@@H]1F 345eeeb38ef51570a44624a71a4184d6 [0,0,0,1,0,0|3,0,0]=4 672 B8R1.9 C=CCN[C@H]1C[C@H]1F 80d76f0a7bfda1effa8e39706fa4211b [0,0,0,1,0,0|3,0,0]=4 673 B8R1.9 CC1CC1NCC=O 892d613b2191180ffc95c583aabe7b25 [0,0,0,1,0,0|3,0,0]=4 674 B8R1.10 C=CCCN1CCC1 90ae1a1b6d98a52229ff5334995e0ff1 [0,0,0,1,0,0|2,0,0]=3 675 B8R1.10 C=CCNC1CCC1 f7b1e125826a8d6464115b8b7cff4769 [0,0,0,1,0,0|2,0,0]=3 676 B8R1.10 C=CCNC1COC1 71e6907bac04313c632066cdd8a7e800 [0,0,0,1,0,0|3,0,0]=4 677 B8R1.10 C=CCOC1CCC1 3bd9e905931a1a521265c072e91c50d4 [0,0,0,1,0,0|1,1,0]=3 678 B8R1.10 C=CCOC1COC1 2069a7755978e3f7b09e83a42998a20a [0,0,0,1,0,0|2,1,0]=4 679 B8R1.10 C=CCOC1CSC1 f9945720f7cf937be161007b8184ef93 [0,0,0,1,0,0|2,1,0]=4 680 B8R1.10 O=CCCN1CCC1 8fc22dace4a53f5fd2e5bf24e18f5eea [0,0,0,1,0,0|3,0,0]=4 681 B8R1.10 O=CCNC1CCC1 633de7cc74462f33663be96f40e3e787 [0,0,0,1,0,0|3,0,0]=4 682 B8R1.10 O=CCOC1CCC1 85f0182d9d378ce0abecab1fd07075c2 [0,0,0,1,0,0|2,1,0]=4 683 B8R1.36 C=CCCNC1CC1 b8af55f20970d1f1dc53b7e019b02470 [0,0,0,1,0,0|2,0,0]=3 684 B8R1.36 C=CCCOC1CC1 622d5e6791ce97e84bbc7a97a3048372 [0,0,0,1,0,0|1,1,0]=3 685 B8R1.36 C=CCNCC1CC1 d574a4997f534ed53b974c2012f0d8e6 [0,0,0,1,0,0|2,0,0]=3 686 B8R1.36 C=CCOCC1CC1 f479c640d2485abdcaf0be1cb3ece5ee [0,0,0,1,0,0|1,1,0]=3 687 B8R1.36 O=CCCNC1CC1 f4d8039ccf048cb8f4199c1b08351d63 [0,0,0,1,0,0|3,0,0]=4 688 B8R1.36 O=CCCOC1CC1 15be0a51dabb82df31730d1a8c7404a9 [0,0,0,1,0,0|2,1,0]=4 689 B8R1.36 O=CCNCC1CC1 5fa5000fcca08c1b84197a398701c7b4 [0,0,0,1,0,0|3,0,0]=4 690 B8R1.36 O=CCOCC1CC1 5be38468eaa20836e46ac65ce100c945 [0,0,0,1,0,0|2,1,0]=4 691 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|2,0,0]=4 692 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|1,0,1]=4 693 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [2,0,0,0,0,0|2,0,0]=4 694 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [2,0,0,0,0,0|2,0,0]=4 695 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|0,1,1]=4 696 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [2,0,0,0,0,0|1,1,0]=4 697 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [1,1,0,0,0,0|1,0,1]=4 698 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [1,1,0,0,0,0|1,1,0]=4 699 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [1,1,0,0,0,0|2,0,0]=4 700 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [1,1,0,0,0,0|1,0,0]=3 701 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [1,1,0,0,0,0|2,0,0]=4 702 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [1,1,0,0,0,0|2,0,0]=4 703 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [1,1,0,0,0,0|2,0,0]=4 704 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [1,1,0,0,0,0|2,0,0]=4 705 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [1,1,0,0,0,0|2,0,0]=4 706 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [1,1,0,0,0,0|2,0,0]=4 707 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [1,1,0,0,0,0|0,1,0]=3 708 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [1,1,0,0,0,0|1,1,0]=4 709 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [1,1,0,0,0,0|1,1,0]=4 710 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [1,1,0,0,0,0|1,1,0]=4 711 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [1,1,0,0,0,0|1,1,0]=4 712 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [1,1,0,0,0,0|2,0,0]=4 713 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [1,1,0,0,0,0|2,0,0]=4 714 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [1,1,0,0,0,0|1,0,0]=3 715 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [1,1,0,0,0,0|2,0,0]=4 716 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [1,1,0,0,0,0|1,0,0]=3 717 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [1,1,0,0,0,0|2,0,0]=4 718 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [1,1,0,0,0,0|1,0,0]=3 719 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [1,1,0,0,0,0|2,0,0]=4 720 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [1,1,0,0,0,0|0,1,0]=3 721 B7R0.3 C=CCOC(C)CF fb11bf0cefab4ea0e38b93cfcee01743 [1,1,0,0,0,0|1,1,0]=4 722 B7R0.3 C=CCOC(C)CS 0ddb9af989e9e9c33b24b66863a996b5 [1,1,0,0,0,0|1,1,0]=4 723 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [1,1,0,0,0,0|0,1,0]=3 724 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [1,1,0,0,0,0|0,1,0]=3 725 B7R0.3 C=CCO[C@H](C)CS fd43ed19bf853317b3a063b2977abf8d [1,1,0,0,0,0|1,1,0]=4 726 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [1,1,0,0,0,0|0,1,0]=3 727 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [1,1,0,0,0,0|1,1,0]=4 728 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [1,1,0,0,0,0|1,1,0]=4 729 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [1,1,0,0,0,0|1,1,0]=4 730 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [1,1,0,0,0,0|1,1,0]=4 731 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [1,1,0,0,0,0|2,0,0]=4 732 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [1,1,0,0,0,0|1,1,0]=4 733 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [1,1,0,0,0,0|2,0,0]=4 734 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [1,1,0,0,0,0|2,0,0]=4 735 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,1,0,0,0,0|1,1,0]=4 736 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,1,0,0,0,0|1,1,0]=4 737 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [1,1,0,0,0,0|2,0,0]=4 738 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [1,1,0,0,0,0|1,1,0]=4 739 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [1,1,0,0,0,0|2,0,0]=4 740 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [1,1,0,0,0,0|1,1,0]=4 741 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [1,1,0,0,0,0|1,1,0]=4 742 B7R0.4 C=C(Br)CNCCBr a2af0ee62ca630ae997fcbeaeff3ecd2 [1,1,0,0,0,0|2,0,0]=4 743 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [1,1,0,0,0,0|1,0,0]=3 744 B7R0.4 C=C(Br)CNCCF bdffe3c671a0357e35ee82ddc2a4b0c6 [1,1,0,0,0,0|2,0,0]=4 745 B7R0.4 C=C(Br)CNCCI 4f584c60421c6beb30ceb5a392863e01 [1,1,0,0,0,0|2,0,0]=4 746 B7R0.4 C=C(Br)CNCCO 00225027954a340a3118d5c001a92b30 [1,1,0,0,0,0|2,0,0]=4 747 B7R0.4 C=C(Br)CNCCS dca08c6fd8d32a0e9dbeabff228c3836 [1,1,0,0,0,0|2,0,0]=4 748 B7R0.4 C=C(Br)CNCOC c5da0ade2f26605ee229f8e69e435818 [1,1,0,0,0,0|2,0,0]=4 749 B7R0.4 C=C(Br)CNCSC 8a13c2330490e029e1472b0879913501 [1,1,0,0,0,0|2,0,0]=4 750 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [1,1,0,0,0,0|0,1,0]=3 751 B7R0.4 C=C(Br)COCCF cd028c386ab5c9854ed6d44716188962 [1,1,0,0,0,0|1,1,0]=4 752 B7R0.4 C=C(Br)COCCS 2f018ef17191cca522d54112a5eff02e [1,1,0,0,0,0|1,1,0]=4 753 B7R0.4 C=C(Br)COCOC 07b1b57eb717a0955e8242d74555e9c9 [1,1,0,0,0,0|1,1,0]=4 754 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [1,1,0,0,0,0|1,1,0]=4 755 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [1,1,0,0,0,0|2,0,0]=4 756 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [1,1,0,0,0,0|1,1,0]=4 757 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [1,1,0,0,0,0|2,0,0]=4 758 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [1,1,0,0,0,0|1,0,0]=3 759 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [1,1,0,0,0,0|2,0,0]=4 760 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [1,1,0,0,0,0|2,0,0]=4 761 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [1,1,0,0,0,0|2,0,0]=4 762 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [1,1,0,0,0,0|2,0,0]=4 763 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [1,1,0,0,0,0|2,0,0]=4 764 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [1,1,0,0,0,0|2,0,0]=4 765 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [1,1,0,0,0,0|0,1,0]=3 766 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [1,1,0,0,0,0|1,1,0]=4 767 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [1,1,0,0,0,0|1,1,0]=4 768 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [1,1,0,0,0,0|1,1,0]=4 769 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [1,1,0,0,0,0|1,1,0]=4 770 B7R0.4 C=C(Cl)CNCCBr 4c903b5932a03e4f5653cd57667fc373 [1,1,0,0,0,0|2,0,0]=4 771 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [1,1,0,0,0,0|1,0,0]=3 772 B7R0.4 C=C(Cl)CNCCF d37e8a2e77cb5d4ae23c734a326ed96f [1,1,0,0,0,0|2,0,0]=4 773 B7R0.4 C=C(Cl)CNCCI 9ea850a83a4ec71e5e79dc8899c3ed82 [1,1,0,0,0,0|2,0,0]=4 774 B7R0.4 C=C(Cl)CNCCO 6a611a7eb068d7dde6e67ecabe81bad2 [1,1,0,0,0,0|2,0,0]=4 775 B7R0.4 C=C(Cl)CNCCS c3d4b5e9deb92301fa96d0a10ab7e0a9 [1,1,0,0,0,0|2,0,0]=4 776 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [1,1,0,0,0,0|0,1,0]=3 777 B7R0.4 C=C(Cl)COCCF bfeec13c0fc32fddad28bd44930cedd4 [1,1,0,0,0,0|1,1,0]=4 778 B7R0.4 C=C(Cl)COCCS bed65824f0d2b594a8ec24439f554b14 [1,1,0,0,0,0|1,1,0]=4 779 B7R0.4 C=C(Cl)COCOC e9c971b961a0dc4c5fdf312f58d6132b [1,1,0,0,0,0|1,1,0]=4 780 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [1,1,0,0,0,0|1,1,0]=4 781 B7R0.4 C=C(F)CNCCBr a95231baef5e5cc0c38c7177c04d4cb2 [1,1,0,0,0,0|2,0,0]=4 782 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [1,1,0,0,0,0|1,0,0]=3 783 B7R0.4 C=C(F)CNCCF 3c9599d455fab8f8b1b7798a035b518b [1,1,0,0,0,0|2,0,0]=4 784 B7R0.4 C=C(F)CNCCI 3acf03f3fc80bbf3bcc0b632080eb4d2 [1,1,0,0,0,0|2,0,0]=4 785 B7R0.4 C=C(F)CNCCO 9267c34bfc2d6383ea073c0636587814 [1,1,0,0,0,0|2,0,0]=4 786 B7R0.4 C=C(F)CNCCS 93ef00bb86767141facd92bc2b3d3770 [1,1,0,0,0,0|2,0,0]=4 787 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [1,1,0,0,0,0|0,1,0]=3 788 B7R0.4 C=C(F)COCCF b7eb1549e162ff12acf84ad5b4d7b85c [1,1,0,0,0,0|1,1,0]=4 789 B7R0.4 C=C(F)COCCS 6f04acbd4df5b3ab276bec02cf9e105d [1,1,0,0,0,0|1,1,0]=4 790 B7R0.4 C=C(F)COCOC 22d1787a226644b1c135149de6654075 [1,1,0,0,0,0|1,1,0]=4 791 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [1,1,0,0,0,0|1,1,0]=4 792 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [1,1,0,0,0,0|0,1,0]=3 793 B7R0.4 C=C(I)COCCF a7f60a4ec955fff2b06cd1137598c7d9 [1,1,0,0,0,0|1,1,0]=4 794 B7R0.4 C=C(I)COCCS 5fc097c1866a8915a26e31c2327c798c [1,1,0,0,0,0|1,1,0]=4 795 B7R0.4 C=C(I)COCOC ab47bd677ec4bd30c526b4cd90bad9b3 [1,1,0,0,0,0|1,1,0]=4 796 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [1,1,0,0,0,0|1,1,0]=4 797 B7R0.4 C=CCCNC(C)C b52c7765f384ae2bfbfea60738f06e8b [1,1,0,0,0,0|2,0,0]=4 798 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [1,1,0,0,0,0|1,1,0]=4 799 B7R0.4 C=CCNCC(=C)C 41a7db76b72ad250995c42f746d79056 [1,1,0,0,0,0|1,0,1]=4 800 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [1,1,0,0,0,0|1,0,1]=4 801 B7R0.4 C=CCNCC(C)C 7f73adb711a665b808680f9f4e975092 [1,1,0,0,0,0|1,0,0]=3 802 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [1,1,0,0,0,0|1,0,0]=3 803 B7R0.4 C=CCNCC(F)F 1d072db205b9140c91fec3489087820a [1,1,0,0,0,0|2,0,0]=4 804 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [1,1,0,0,0,0|1,0,0]=3 805 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [1,1,0,0,0,0|1,0,0]=3 806 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [1,1,0,0,0,0|0,1,1]=4 807 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [1,1,0,0,0,0|0,1,1]=4 808 B7R0.4 C=CCOCC(C)C 430e26f15a2ffd69e16a09cb44866cd6 [1,1,0,0,0,0|0,1,0]=3 809 B7R0.4 C=CCOCC(C)F db539a456bd6752ebe10d7b23c41a2c2 [1,1,0,0,0,0|0,1,0]=3 810 B7R0.4 C=CCOCC(C)S c0443280688281fff6bac011768c9c1b [1,1,0,0,0,0|0,1,0]=3 811 B7R0.4 C=CCOCC(F)F 01b8c5b05604a143ffc0985187ff216a [1,1,0,0,0,0|1,1,0]=4 812 B7R0.4 C=CCOC[C@@H](C)F 6fbef7cd23b7ad6df74ff1c9ada25c26 [1,1,0,0,0,0|0,1,0]=3 813 B7R0.4 C=CCOC[C@H](C)F ee8f1a8a998027f3ef4fed8e2898cb78 [1,1,0,0,0,0|0,1,0]=3 814 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [1,1,0,0,0,0|2,0,0]=4 815 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [1,1,0,0,0,0|1,1,0]=4 816 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [1,1,0,0,0,0|1,1,0]=4 817 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [1,1,0,0,0,0|2,0,0]=4 818 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [1,1,0,0,0,0|1,1,0]=4 819 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,1,0,0,0,0|1,0,1]=4 820 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [1,1,0,0,0,0|2,0,0]=4 821 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,1,0,0,0,0|2,0,0]=4 822 B7R0.4 CCCOCC(=O)C 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[0,2,0,0,0,0|2,0,0]=4 847 B9R0.4 C=CCCN(C)C[C@H](C)O 524941964da99664ae6270220fb060f7 [0,2,0,0,0,0|2,0,0]=4 848 B9R0.4 C=CCNC(C)CC(C)C b1fa07c030b3eaa58ed718513ebbd267 [0,2,0,0,0,0|2,0,0]=4 849 B9R0.4 C=CCNC(C)CC(C)O ace766ca8f8fc3f0441f8f1a7e5b1525 [0,2,0,0,0,0|2,0,0]=4 850 B9R0.4 C=CCOC(C)CC(C)C 6172fc7bebb88cfe7191de7dabc82710 [0,2,0,0,0,0|1,1,0]=4 851 B9R0.4 C=CCO[C@@H](C)CC(C)C cb591aeccfc1c7ee2eecb9d61dfdb956 [0,2,0,0,0,0|1,1,0]=4 852 B9R0.4 C=CCO[C@H](C)CC(C)C 66e79c01c2faecc260e2fb8690a313cb [0,2,0,0,0,0|1,1,0]=4 853 B9R0.5 C/C=C/C(C)OCCCC fe4021be7eb9ddab5576a9db273dea52 [0,2,0,0,0,0|1,1,0]=4 854 B9R0.5 C/C=C/CNC(C)CCC 01f7c6cc5f6295ae6124ee2ce9899c91 [0,2,0,0,0,0|2,0,0]=4 855 B9R0.5 C/C=C/CN[C@@H](C)CCC 6f53a49de889963fad092f6ec12ed189 [0,2,0,0,0,0|2,0,0]=4 856 B9R0.5 C/C=C/COC(=S)CCC e7cad298ccba9104c0d980de29f137f4 [0,2,0,0,0,0|1,1,0]=4 857 B9R0.5 C/C=C/COC(C)CCC a6e59ae28c0c34f6eedadaf099aafb27 [0,2,0,0,0,0|1,1,0]=4 858 B9R0.5 C/C=C/CO[C@@H](C)CCC 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2d83f3ff7ec8f12d75a5d560b20df0d6 [0,2,0,0,0,0|2,0,0]=4 871 B9R0.5 C=CCC(C)CNCCC 57145e6cde5992e28644e2005aca4a52 [0,2,0,0,0,0|2,0,0]=4 872 B9R0.5 C=CCC(C)COCCC 7e85aeea39477af9cfd8878a56719121 [0,2,0,0,0,0|1,1,0]=4 873 B9R0.5 C=CCC(C)OCCCC f19d39a50fdfd6ad2267d2fbf05a2b41 [0,2,0,0,0,0|1,1,0]=4 874 B9R0.5 C=CCC(C)OCCCF 4edc67beb73611d86e6b9151e356bc4c [0,2,0,0,0,0|1,1,0]=4 875 B9R0.5 C=CCC(C)OCCCS 8fb58b3b86c0c5267a4ab1f2d224c935 [0,2,0,0,0,0|1,1,0]=4 876 B9R0.5 C=CCC(C)OCCOC e4ec277a3d48211c8ff932bd180ca329 [0,2,0,0,0,0|1,1,0]=4 877 B9R0.5 C=CCC(C)OCCSC b0808a439ccba10c6a3608d770505a63 [0,2,0,0,0,0|1,1,0]=4 878 B9R0.5 C=CCC(C)OCOCC d18e6b880e8a72ad6adcddc7e778e698 [0,2,0,0,0,0|1,1,0]=4 879 B9R0.5 C=CCC(O)CNCCC bdbda0676a7bef81a38b347a29437e3c [0,2,0,0,0,0|2,0,0]=4 880 B9R0.5 C=CCCCN(C)CCC 7d841d352abee3c82fe33663f6b18bb0 [0,2,0,0,0,0|2,0,0]=4 881 B9R0.5 C=CCCC[C@H](C)OCC 1a7f26f08a4aab831c049f86e95105db [0,2,0,0,0,0|2,0,0]=4 882 B9R0.5 C=CCCNC(=O)CCC cf53a2db9c6b8bf112b423fceb3e3e88 [0,2,0,0,0,0|2,0,0]=4 883 B9R0.5 C=CCCNC(C)CCC 3371aa09ea9d2447d2686676bccef260 [0,2,0,0,0,0|2,0,0]=4 884 B9R0.5 C=CCCNC(C)CCO 05733613dc157b8a84854e0e79f245b1 [0,2,0,0,0,0|2,0,0]=4 885 B9R0.5 C=CCCNC(C)COC c167ecd205084991900213d481ab19b6 [0,2,0,0,0,0|2,0,0]=4 886 B9R0.5 C=CCCN[C@@H](C)CCC cffaa158bfffbde18d6888855f7065f2 [0,2,0,0,0,0|2,0,0]=4 887 B9R0.5 C=CCCN[C@@H](C)CCO de25488e8275ed2a498af9e4740a6887 [0,2,0,0,0,0|2,0,0]=4 888 B9R0.5 C=CCCN[C@@H](C)COC 0c2097f6f7507b4d230f99eb80a7b183 [0,2,0,0,0,0|2,0,0]=4 889 B9R0.5 C=CCCN[C@H](C)CCO 204f93623f06da011f3c45466aa5ec1e [0,2,0,0,0,0|2,0,0]=4 890 B9R0.5 C=CCCN[C@H](C)COC 96fb11e213d10ba79813965a0b5f3b85 [0,2,0,0,0,0|2,0,0]=4 891 B9R0.5 C=CCCOC(=S)CCC 2692822e92b8218c0255dd67b3275aa5 [0,2,0,0,0,0|1,1,0]=4 892 B9R0.5 C=CCCOC(C)CCC 3bc391c8caa568c3a41dda672f336f05 [0,2,0,0,0,0|1,1,0]=4 893 B9R0.5 C=CCCOC(C)COC 5d7a764171653d68ee3a31db4323aa4b [0,2,0,0,0,0|1,1,0]=4 894 B9R0.5 C=CCCOC(C)CSC 6e77e54f915a4d56dd8da3bcfc541ae8 [0,2,0,0,0,0|1,1,0]=4 895 B9R0.5 C=CCCO[C@@H](C)CCC 634f8c2d0d3b6aefd8ef784383af89c4 [0,2,0,0,0,0|1,1,0]=4 896 B9R0.5 C=CCCO[C@@H](C)COC 6fa109d6b46a8c2ebae920a4092421ff [0,2,0,0,0,0|1,1,0]=4 897 B9R0.5 C=CCCO[C@H](C)CCC e04f21559b7527421350b2a9527639e7 [0,2,0,0,0,0|1,1,0]=4 898 B9R0.5 C=CCCO[C@H](C)COC ca18e22a05344e0132c8d431221ab5a0 [0,2,0,0,0,0|1,1,0]=4 899 B9R0.5 C=CCN(C)CCCCC 0b10691c54227c175c8cdf0755b7f63b [0,2,0,0,0,0|2,0,0]=4 900 B9R0.5 C=CCN(C)CCCCF dc9558a7f2b55afe34a0dbdee2fe1b46 [0,2,0,0,0,0|2,0,0]=4 901 B9R0.5 C=CCN(C)CCCCO 74efae547ca8f949258fbbc30ab6e258 [0,2,0,0,0,0|2,0,0]=4 902 B9R0.5 C=CCN(C)CCCOC 1f0509f5c1233f015dc2ab9d9a31cc4f [0,2,0,0,0,0|2,0,0]=4 903 B9R0.5 C=CCN(C)CCCSC 565a7cf886efa00562c221c67e8152ec [0,2,0,0,0,0|2,0,0]=4 904 B9R0.5 C=CCN(C)CCOCC 96d440315b1f17bbe72c744107c901b7 [0,2,0,0,0,0|2,0,0]=4 905 B9R0.5 C=CCN(C)CCSCC caa7864c185b4173377f72037b618c1d [0,2,0,0,0,0|2,0,0]=4 906 B9R0.5 C=CCNCC(C)CCO 87a2a0349de10e54f3a705cb6e44a09e [0,2,0,0,0,0|2,0,0]=4 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C=CC[C@@H](C)OCCSC 47e9099c5bf04905aeb7f684d178ec35 [0,2,0,0,0,0|1,1,0]=4 920 B9R0.5 C=CC[C@@H](C)OCOCC e88eac3aa749a45b6537d7a17edcb80d [0,2,0,0,0,0|1,1,0]=4 921 B9R0.5 C=CC[C@H](C)OCCCC 591b4bbc39f98a534a3a9dc1d5e7fa51 [0,2,0,0,0,0|1,1,0]=4 922 B9R0.5 C=CC[C@H](C)OCCCF a2105db59e2af997db1aac1c4cfda0c8 [0,2,0,0,0,0|1,1,0]=4 923 B9R0.5 C=CC[C@H](C)OCCCS 5dd0c5da5fcc540ac696a84caca62592 [0,2,0,0,0,0|1,1,0]=4 924 B9R0.5 C=CC[C@H](C)OCCOC c40ce18f431d1bd81b31b3066c724ae2 [0,2,0,0,0,0|1,1,0]=4 925 B9R0.5 C=CC[C@H](C)OCCSC ca7913c2f82d58437a355c2ae2d17341 [0,2,0,0,0,0|1,1,0]=4 926 B9R0.5 C=CC[C@H](C)OCOCC 77674adcd34848cc46a039f770a66879 [0,2,0,0,0,0|1,1,0]=4 927 B9R0.5 CC=CC(C)OCCCC ac5240649470c3f452111f552f4c343a [0,2,0,0,0,0|1,1,0]=4 928 B9R0.5 CC=CCNC(=O)CCC a2189c9a5e101c26f476080a5e98ae2b [0,2,0,0,0,0|2,0,0]=4 929 B9R0.5 CC=CCNC(C)CCC b4bdb7b86cb2072cf898fadb6f285629 [0,2,0,0,0,0|2,0,0]=4 930 B9R0.5 CC=CCOC(C)CCC 66499cff6ab08d1e7101b8388f2409de [0,2,0,0,0,0|1,1,0]=4 931 B9R0.5 CCCC(=S)OC/C=C/Cl b5a940e0f30d692acdfd7865c0244d9c [0,2,0,0,0,0|1,1,0]=4 932 B9R0.5 CCCC(=S)OC/C=C\Cl d062dd8bc1f6ec5ec8fdf0e53915c277 [0,2,0,0,0,0|1,1,0]=4 933 B9R0.5 CCCC(C)NC/C=C/Cl a2bc6360354045d2e6a969334dbe17c9 [0,2,0,0,0,0|2,0,0]=4 934 B9R0.5 CCCC(C)NC/C=C\Cl a9663d98aaf4594ce20748f8383f24a5 [0,2,0,0,0,0|2,0,0]=4 935 B9R0.5 CCCC(C)NC/C=C\O c93946b0de8d17c8ad6f99cefa864482 [0,2,0,0,0,0|2,0,0]=4 936 B9R0.5 CCCC(C)OC/C=C/Cl 9b1176057bc3dc0293008b226385b48c [0,2,0,0,0,0|1,1,0]=4 937 B9R0.5 CCCC(C)OC/C=C\Cl 82d50d25ec2f924793514f13a7905ea5 [0,2,0,0,0,0|1,1,0]=4 938 B9R0.5 CCCC(C)OCC=CCl 443c97c407ee4b714eecb70fe42a75d7 [0,2,0,0,0,0|1,1,0]=4 939 B9R0.5 CCC[C@@H](C)OC/C=C/Cl 9c62cd466f4256598eed6707750ad86e [0,2,0,0,0,0|1,1,0]=4 940 B9R0.5 CCC[C@@H](C)OC/C=C\Cl ab8c6761881a955c818a124e3e6a09ec [0,2,0,0,0,0|1,1,0]=4 941 B9R0.5 CCC[C@H](C)NC/C=C/Cl 6036f80aadf07a80ed4e3d280cafd757 [0,2,0,0,0,0|2,0,0]=4 942 B9R0.5 CCC[C@H](C)NC/C=C\Cl ea871a6d84f6beb5069ee200221c344f [0,2,0,0,0,0|2,0,0]=4 943 B9R0.5 CCC[C@H](C)NC/C=C\O 8d52c9d789e30bf7c68d63162492dc07 [0,2,0,0,0,0|2,0,0]=4 944 B9R0.5 CCC[C@H](C)OC/C=C/Cl 268aae28e2e07dc1e0cbb1618cf82c12 [0,2,0,0,0,0|1,1,0]=4 945 B9R0.5 CCC[C@H](C)OC/C=C\Cl 027fbf088883a2e69419ad8b219a4796 [0,2,0,0,0,0|1,1,0]=4 946 B9R0.8 C=CC(C)N(C)CCCC 52b35ff6c1ba952207a34d2447c3fdae [0,2,0,0,0,0|2,0,0]=4 947 B9R0.8 C=CCCN(C)C(C)CC 5d06c96c127855246d363da1d196a88f [0,2,0,0,0,0|2,0,0]=4 948 B9R0.8 C=CCNC(C)C(C)CC 22b256d1a5f4e1f34511b625429ec6fa [0,2,0,0,0,0|2,0,0]=4 949 B9R0.8 C=CCOC(C)C(C)CC 497cc3ca82ab66597318538d46ffa3eb [0,2,0,0,0,0|1,1,0]=4 950 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCC 827ec7cab90f31f3afa0ea32ccf45fce [0,2,0,0,0,0|1,1,0]=4 951 B9R0.8 C=C[C@@H](C)[C@H](C)OCCC 26696a0db2f6d81cc3e01eed135a2816 [0,2,0,0,0,0|1,1,0]=4 952 B9R0.8 C=C[C@H](C)[C@@H](C)OCCC c48af0bd466e4283e2735227c964c011 [0,2,0,0,0,0|1,1,0]=4 953 B9R0.8 C=C[C@H](C)[C@H](C)OCCC 636f3ee10897e8ce8a9a125b741cdfa4 [0,2,0,0,0,0|1,1,0]=4 954 B9R0.18 C/C=C/CC(=O)NCCC c4000eced9c5a645f9e27eaa7bbc369b [0,2,0,0,0,0|2,0,0]=4 955 B9R0.18 C/C=C/CN(C)CCCC f48d7a8209cf67e66dd6ec12f26024a0 [0,2,0,0,0,0|2,0,0]=4 956 B9R0.18 C/C=C\CN(C)CCCC 5b2aaea0ca5c3bdc90e6459a5af09b94 [0,2,0,0,0,0|2,0,0]=4 957 B9R0.18 C=CCCC(=O)NCCC 9f74062b96148fe9af5f57a314993165 [0,2,0,0,0,0|2,0,0]=4 958 B9R0.18 C=CCCC(C)NCCC 240e8313686bab03145fdf8e05a079de [0,2,0,0,0,0|2,0,0]=4 959 B9R0.18 C=CCCC(C)OCCC 7912a5c88e116a41f225a0605d7ee9b9 [0,2,0,0,0,0|1,1,0]=4 960 B9R0.18 C=CCCC(O)CNCC 5526933c2601f900d214598338a32d02 [0,2,0,0,0,0|2,0,0]=4 961 B9R0.18 C=CCCN(C)CCCC 982bda51df0f37fb4c6a42577f4401e6 [0,2,0,0,0,0|2,0,0]=4 962 B9R0.18 C=CCCN(C)CCCF 4ccf7e1e7a005920a1f935bf969d7982 [0,2,0,0,0,0|2,0,0]=4 963 B9R0.18 C=CCCN(C)CCCO aeba8554ff2f572f02c06efee49c0649 [0,2,0,0,0,0|2,0,0]=4 964 B9R0.18 C=CCCN(C)CCCS 7eca992857df3f27c18befa745a0ceb9 [0,2,0,0,0,0|2,0,0]=4 965 B9R0.18 C=CCCN(C)CCOC 26b2207c15c83b15968acb06f17b6a22 [0,2,0,0,0,0|2,0,0]=4 966 B9R0.18 C=CCCN(C)CCSC 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C=CCC(=O)NC(C)CC ca2e07c3083949b732403cf0f9aa0d1a [0,2,0,0,0,0|2,0,0]=4 991 B9R0.34 C=CCC(=O)N[C@@H](C)CC 0be7b6cc15cd85e44e462da3d08151b5 [0,2,0,0,0,0|2,0,0]=4 992 B9R0.34 C=CCC(=O)N[C@H](C)CC ef34aa7458e34105535e8c727cf1bf77 [0,2,0,0,0,0|2,0,0]=4 993 B9R0.34 C=CCC(C)OC(C)CC 87e37aee9e63c501d27b9aa54830514c [0,2,0,0,0,0|1,1,0]=4 994 B9R0.34 C=CCN(C)CC(C)CC f060a1ea394edf01b7633d8d73994019 [0,2,0,0,0,0|2,0,0]=4 995 B9R0.34 C=CCN(C)CC(O)CC a2736e11d58dd60f95dfd58355966939 [0,2,0,0,0,0|2,0,0]=4 996 B9R0.34 C=CCN(C)C[C@@H](C)CC 3032ef1a152caa6365c446cc3c625759 [0,2,0,0,0,0|2,0,0]=4 997 B9R0.34 C=CCN(C)C[C@H](C)CC 88b7e74e5b498b29000379eb25096c90 [0,2,0,0,0,0|2,0,0]=4 998 B9R0.34 C=CC[C@@H](C)OC(C)CC 531cd6395bd339e1c1ecee7ea088ee26 [0,2,0,0,0,0|1,1,0]=4 999 B9R0.34 C=CC[C@H](C)OC(C)CC 9252b4b25e3937cb8f6ddd15b0f7b458 [0,2,0,0,0,0|1,1,0]=4 1000 B9R0.34 C=C[C@H](C)OC(C)CCC b5f2b2e4d7ddfe2c9e5864501cdbe6b3 [0,2,0,0,0,0|1,1,0]=4 1001 B9R0.35 C=CCC(=O)N(C)CCC d804da72f85ca58458cb9a8dec056216 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6f292f25a3b15e49a3aa13f9ece40e35 [0,2,0,0,0,0|1,1,0]=4 1014 B9R0.40 C=CCOC(CC)CCC 35f0a04ab87e49bd2bcd6ae2c3b1ec56 [0,2,0,0,0,0|1,1,0]=4 1015 B9R0.40 C=CCO[C@H](CC)CCC 909f94d03c44d262a2f498f7d1d72eed [0,2,0,0,0,0|1,1,0]=4 1016 B9R0.48 C=C(Br)CNC(=O)CCC 5e61ef8e805b62239237c84d1dc5b668 [0,2,0,0,0,0|2,0,0]=4 1017 B9R0.48 C=C(Br)CNC(C)CCC d1e87f5542f2307e864af5084642a423 [0,2,0,0,0,0|2,0,0]=4 1018 B9R0.48 C=C(Br)CN[C@@H](C)CCC 026742ec5a83c2ea5c7cdd96b7bf8515 [0,2,0,0,0,0|2,0,0]=4 1019 B9R0.48 C=C(Br)COC(=S)CCC 1033cb2e7322e367e1ec4d96705fddc7 [0,2,0,0,0,0|1,1,0]=4 1020 B9R0.48 C=C(Br)COC(C)CCC 9b42c71e18ddb5f1df0cfed1380fbc1d [0,2,0,0,0,0|1,1,0]=4 1021 B9R0.48 C=C(Br)CO[C@@H](C)CCC f5dbba56577b47c8139533bef64e6a47 [0,2,0,0,0,0|1,1,0]=4 1022 B9R0.48 C=C(Br)CO[C@H](C)CCC 31129fd17e5635d40c40e1dca48175e1 [0,2,0,0,0,0|1,1,0]=4 1023 B9R0.48 C=C(C)CCN(C)CCC 4ed61490ac4d6de89bca3de564940ca9 [0,2,0,0,0,0|2,0,0]=4 1024 B9R0.48 C=C(C)CNC(=O)CCC 8798d18f5f118779f2ebf2a6aa1a07ee [0,2,0,0,0,0|2,0,0]=4 1025 B9R0.48 C=C(C)CNC(C)CCC 249a59065d0d74ced558dc9c9dc4f202 [0,2,0,0,0,0|2,0,0]=4 1026 B9R0.48 C=C(C)CN[C@@H](C)CCC fd09b17b6eab62ae3b8eb3ec9d6279f3 [0,2,0,0,0,0|2,0,0]=4 1027 B9R0.48 C=C(C)COC(=S)CCC 062bee5a1931dceb7a99ac6754c8a6e0 [0,2,0,0,0,0|1,1,0]=4 1028 B9R0.48 C=C(C)COC(C)CCC 8a712e3f999a984623a12b3e185e16f6 [0,2,0,0,0,0|1,1,0]=4 1029 B9R0.48 C=C(C)CO[C@@H](C)CCC e17237a765f8d2f7515c764ae18eed6b [0,2,0,0,0,0|1,1,0]=4 1030 B9R0.48 C=C(C)CO[C@H](C)CCC c07382948aa51118d6a02318fd89a90c [0,2,0,0,0,0|1,1,0]=4 1031 B9R0.48 C=C(Cl)CNC(C)CCC 439f29525e9ac53db46e03cff08e57cc [0,2,0,0,0,0|2,0,0]=4 1032 B9R0.48 C=C(Cl)CN[C@@H](C)CCC 5b1f9afd10517d211188dba56c2833fa [0,2,0,0,0,0|2,0,0]=4 1033 B9R0.48 C=C(Cl)COC(=S)CCC 779ebd58aff4b7a2113ea121bb0bf7e1 [0,2,0,0,0,0|1,1,0]=4 1034 B9R0.48 C=C(Cl)COC(C)CCC 4469f239e88e997d5230d6906915a264 [0,2,0,0,0,0|1,1,0]=4 1035 B9R0.48 C=C(Cl)CO[C@@H](C)CCC 847077f2e15a78bac2a4d70b1ea7e8fa [0,2,0,0,0,0|1,1,0]=4 1036 B9R0.48 C=C(Cl)CO[C@H](C)CCC ff9eb95f7bb39ecffad9190ef32d24a9 [0,2,0,0,0,0|1,1,0]=4 1037 B9R0.48 C=C(F)COC(=S)CCC 78d46ed8440a76b9214e5d7bdfde6c40 [0,2,0,0,0,0|1,1,0]=4 1038 B9R0.48 C=C(I)COC(C)CCC 7041f181646a6f58588ec8a65571cde0 [0,2,0,0,0,0|1,1,0]=4 1039 B9R0.48 C=CCC(=O)NCC(C)C 7ec6a94fdaa5e3ae98cbb3f64b8e60bc [0,2,0,0,0,0|2,0,0]=4 1040 B9R0.48 C=CCC(=O)NCC(C)O 3c6e2c92365447c2f83b9c4bb7fba462 [0,2,0,0,0,0|2,0,0]=4 1041 B9R0.48 C=CCC(=O)NC[C@@H](C)O 26d1fd5192fb99a451d801ac6e561159 [0,2,0,0,0,0|2,0,0]=4 1042 B9R0.48 C=CCC(=O)NC[C@H](C)O f29d274ad3d095c6edc7ae1decc25746 [0,2,0,0,0,0|2,0,0]=4 1043 B9R0.48 C=CCC(C)OCC(C)C e3417de933793529d47bef6ae7fb87ec [0,2,0,0,0,0|1,1,0]=4 1044 B9R0.48 C=CCN(C)CCC(C)C b8b436287e8ebefcf85fe7df0c39c1bc [0,2,0,0,0,0|2,0,0]=4 1045 B9R0.48 C=CCN(C)CCC(C)O 44d86d9a5c5b6ff5cd8fb1c633fd654b [0,2,0,0,0,0|2,0,0]=4 1046 B9R0.48 C=CC[C@@H](C)OCC(C)C ce5a65308cf16c8b755bfe119532f4f9 [0,2,0,0,0,0|1,1,0]=4 1047 B9R0.48 C=CC[C@H](C)OCC(C)C 48f910ff99dac321abfd4391492c038e [0,2,0,0,0,0|1,1,0]=4 1048 B9R0.2 C/C=C/CCOCC(C)C c5f8b119ea4d624eb9d257ad00c1f77f [0,2,0,0,0,0|1,1,0]=4 1049 B9R0.2 C/C=C/CNCCC(C)C 63d3ef92b493d46133fab82e97297506 [0,2,0,0,0,0|2,0,0]=4 1050 B9R0.2 C/C=C/CNCCC(C)O 6debd4c663ac5174d8c60e8493d18bb2 [0,2,0,0,0,0|2,0,0]=4 1051 B9R0.2 C/C=C/CNCC[C@@H](C)O ca62f7533275ba0a68bef6cf6bb405f0 [0,2,0,0,0,0|2,0,0]=4 1052 B9R0.2 C/C=C/CNCC[C@H](C)O b51f43a564ca9ad16826b32fa7b19015 [0,2,0,0,0,0|2,0,0]=4 1053 B9R0.2 C/C=C/COCCC(C)C d70bf3413b611544a4afaa244a184a93 [0,2,0,0,0,0|1,1,0]=4 1054 B9R0.2 C/C=C\CNCCC(C)C 92a6be171755d71055de29eff0febf98 [0,2,0,0,0,0|2,0,0]=4 1055 B9R0.2 C/C=C\CNCCC(C)O 23edc2a5ebf3ae72f3a4140484341e9d [0,2,0,0,0,0|2,0,0]=4 1056 B9R0.2 C/C=C\CNCC[C@@H](C)O 4e90f7a38be0c1d6f9219d045ccaa620 [0,2,0,0,0,0|2,0,0]=4 1057 B9R0.2 C/C=C\CNCC[C@H](C)O 00bcbf6640cd1d0cb50e464dfceaac30 [0,2,0,0,0,0|2,0,0]=4 1058 B9R0.2 C/C=C\COCCC(C)C 009e3b7c7e2987e5c250113058fc0d2b [0,2,0,0,0,0|1,1,0]=4 1059 B9R0.2 C=C(Br)CCOCCCC 89aeee49c614e8b481f89262dbe440df [0,2,0,0,0,0|1,1,0]=4 1060 B9R0.2 C=C(Br)CCOCCCF 08ac2e8fb91b2fcff0fda563b7ff8c56 [0,2,0,0,0,0|1,1,0]=4 1061 B9R0.2 C=C(Br)CCOCCCS 61e491a5e045ff62deb7b9a7fa27f14e [0,2,0,0,0,0|1,1,0]=4 1062 B9R0.2 C=C(Br)CCOCCOC a62c141e23f02e0dd3bd90886ea4c3c3 [0,2,0,0,0,0|1,1,0]=4 1063 B9R0.2 C=C(Br)CCOCCSC 650adca430c56802c92cbb8dffeb10d2 [0,2,0,0,0,0|1,1,0]=4 1064 B9R0.2 C=C(Br)CCOCOCC 9c266a169a6b731fe0e057eb8001d1f9 [0,2,0,0,0,0|1,1,0]=4 1065 B9R0.2 C=C(Br)CNCCCCC d279768b5fdacaf2cda306ea756513dc [0,2,0,0,0,0|2,0,0]=4 1066 B9R0.2 C=C(Br)CNCCCCCl 18e13d7050df2748c836843a207af4ab [0,2,0,0,0,0|2,0,0]=4 1067 B9R0.2 C=C(Br)CNCCCCF 4fb3ccb693b8922bcc63a8e789f9407a [0,2,0,0,0,0|2,0,0]=4 1068 B9R0.2 C=C(Br)CNCCCCO bcd7c7ee8dbd41f45c793181bbb5dc30 [0,2,0,0,0,0|2,0,0]=4 1069 B9R0.2 C=C(Br)CNCCCCS 78f752f2c9899306dfd1d9f8ef8758fa [0,2,0,0,0,0|2,0,0]=4 1070 B9R0.2 C=C(Br)CNCCCOC 9bf06ff187261bfc3f96278cfc538940 [0,2,0,0,0,0|2,0,0]=4 1071 B9R0.2 C=C(Br)CNCCCSC 5bf91a1989c4567d484796b7ee4ab621 [0,2,0,0,0,0|2,0,0]=4 1072 B9R0.2 C=C(Br)CNCCOCC 5cfec76638e46e12a20fb02de3362a4a [0,2,0,0,0,0|2,0,0]=4 1073 B9R0.2 C=C(Br)CNCCSCC f9bba534ed4213216e82dd22ca5c021b [0,2,0,0,0,0|2,0,0]=4 1074 B9R0.2 C=C(Br)COCCCCC d3362ef2dbe291c29da898c0e2060a14 [0,2,0,0,0,0|1,1,0]=4 1075 B9R0.2 C=C(Br)COCCCCF cd90ef163e98b46dcbf73fd6b66f406e [0,2,0,0,0,0|1,1,0]=4 1076 B9R0.2 C=C(Br)COCCCCS 6f8de5642f894539d555799ccbdcc37d [0,2,0,0,0,0|1,1,0]=4 1077 B9R0.2 C=C(Br)COCCCOC cd22307043a4a4b2f52da469ae9be5f1 [0,2,0,0,0,0|1,1,0]=4 1078 B9R0.2 C=C(Br)COCCCSC c0fa526ed600ecc0d780c699bd6db040 [0,2,0,0,0,0|1,1,0]=4 1079 B9R0.2 C=C(Br)COCCOCC 499fdf490c6b0aa16a42dc6262ffdd3a [0,2,0,0,0,0|1,1,0]=4 1080 B9R0.2 C=C(Br)COCCSCC 36301ec92908db3abda4d03a8faccc8e [0,2,0,0,0,0|1,1,0]=4 1081 B9R0.2 C=C(C)CCCNCCC c3cac283cbd12fbf0ac91ae77d2206d5 [0,2,0,0,0,0|2,0,0]=4 1082 B9R0.2 C=C(C)CCCOCCC 4f69b68cc6888e5abf6b0488c9a109cb [0,2,0,0,0,0|1,1,0]=4 1083 B9R0.2 C=C(C)CCNCCCC 09dea3d5646408c299eb2754a1e1c1cd [0,2,0,0,0,0|2,0,0]=4 1084 B9R0.2 C=C(C)CCNCCCCl 19de048ac51673d3aaa6bc3af0aa5d9d [0,2,0,0,0,0|2,0,0]=4 1085 B9R0.2 C=C(C)CCNCCCF 2f6cde27e0b18a81893366038308fdcc [0,2,0,0,0,0|2,0,0]=4 1086 B9R0.2 C=C(C)CCNCCCO 237e934407e2f80895a50d460e0c174d [0,2,0,0,0,0|2,0,0]=4 1087 B9R0.2 C=C(C)CCNCCCS 4635bf0b3492075a5f5d59b65999782e [0,2,0,0,0,0|2,0,0]=4 1088 B9R0.2 C=C(C)CCNCCOC aa8a0a94c006c73f923a51cdae3f1f8e [0,2,0,0,0,0|2,0,0]=4 1089 B9R0.2 C=C(C)CCNCCSC d4578dbebf7d4724205bf99fa2f9ba72 [0,2,0,0,0,0|2,0,0]=4 1090 B9R0.2 C=C(C)CCNCOCC f4de9c2329a0a38ab41bb7a5ba8afe05 [0,2,0,0,0,0|2,0,0]=4 1091 B9R0.2 C=C(C)CCOCCCC 43e61bb8669727040bdbd33fc265d7ab [0,2,0,0,0,0|1,1,0]=4 1092 B9R0.2 C=C(C)CCOCCCF 4f05183773f76ad70187bfb2b5db2add [0,2,0,0,0,0|1,1,0]=4 1093 B9R0.2 C=C(C)CCOCCCS 54edad4905aa6a90dd74a875f3b8580c [0,2,0,0,0,0|1,1,0]=4 1094 B9R0.2 C=C(C)CCOCCOC 67bd7d77bcb9250ea71c8a04c5abf232 [0,2,0,0,0,0|1,1,0]=4 1095 B9R0.2 C=C(C)CCOCCSC 2419d01dab7f58e2ba353b19229cf906 [0,2,0,0,0,0|1,1,0]=4 1096 B9R0.2 C=C(C)CCOCOCC 8f670049fe2e01cc3448c7e08491639e [0,2,0,0,0,0|1,1,0]=4 1097 B9R0.2 C=C(C)CNCCCCC 1fe982b20ee6c93d1b92220bddb7f573 [0,2,0,0,0,0|2,0,0]=4 1098 B9R0.2 C=C(C)CNCCCCCl b17281cb04bf565fb5b282dcd6071adf [0,2,0,0,0,0|2,0,0]=4 1099 B9R0.2 C=C(C)CNCCCCF a4723fc738cce1ba2188e74635f5f9ae [0,2,0,0,0,0|2,0,0]=4 1100 B9R0.2 C=C(C)CNCCCCO f295044566a501ed18f2fadfcbe93198 [0,2,0,0,0,0|2,0,0]=4 1101 B9R0.2 C=C(C)CNCCCCS 1bb6b0faba82bc9dfa9cf2626a5de19e [0,2,0,0,0,0|2,0,0]=4 1102 B9R0.2 C=C(C)CNCCCOC 0ac9088df74f601b70445d799c91be29 [0,2,0,0,0,0|2,0,0]=4 1103 B9R0.2 C=C(C)CNCCCSC fd251088811ac4fee5625d3fe27b3427 [0,2,0,0,0,0|2,0,0]=4 1104 B9R0.2 C=C(C)CNCCOCC 84c994c2359feab13720c16b66645287 [0,2,0,0,0,0|2,0,0]=4 1105 B9R0.2 C=C(C)CNCCSCC fd8e3fc32786755a703764fd326a09da [0,2,0,0,0,0|2,0,0]=4 1106 B9R0.2 C=C(C)COCCCCC a29929c8df945f31fba1ca688247acb0 [0,2,0,0,0,0|1,1,0]=4 1107 B9R0.2 C=C(C)COCCCCF cf601ba6ef881d7ca1cf3f8cbe7608cb [0,2,0,0,0,0|1,1,0]=4 1108 B9R0.2 C=C(C)COCCCCS 8620ff2b2c37e1b6d86f0c7727ba02cb [0,2,0,0,0,0|1,1,0]=4 1109 B9R0.2 C=C(C)COCCCOC 2997bb7f8cda230019814f31b39c3495 [0,2,0,0,0,0|1,1,0]=4 1110 B9R0.2 C=C(C)COCCCSC b8eaf779a617118d20a8c289148d24b7 [0,2,0,0,0,0|1,1,0]=4 1111 B9R0.2 C=C(C)COCCOCC 49014f9a0948543aa38cd68db94b7916 [0,2,0,0,0,0|1,1,0]=4 1112 B9R0.2 C=C(C)COCCSCC a78c536cb05957de27781c26ce16a376 [0,2,0,0,0,0|1,1,0]=4 1113 B9R0.2 C=C(Cl)CNCCCCC 3426772373d2ee591d1567d95131ca5d [0,2,0,0,0,0|2,0,0]=4 1114 B9R0.2 C=C(Cl)CNCCCCCl 07d951ac778f280fac6fa78677e22fc7 [0,2,0,0,0,0|2,0,0]=4 1115 B9R0.2 C=C(Cl)CNCCCCO 9c5f92be763dae29ee5d1791e269975f [0,2,0,0,0,0|2,0,0]=4 1116 B9R0.2 C=C(Cl)CNCCCCS 02c74a8e001567183ed97baf601b4796 [0,2,0,0,0,0|2,0,0]=4 1117 B9R0.2 C=C(Cl)CNCCCOC b8e59472c0f665132bf0a12e4a413af7 [0,2,0,0,0,0|2,0,0]=4 1118 B9R0.2 C=C(Cl)CNCCCSC 23413e5771406c085cf6dab86d815e15 [0,2,0,0,0,0|2,0,0]=4 1119 B9R0.2 C=C(Cl)CNCCOCC 4f632e57b8f73797a4aba49f5bf9dc84 [0,2,0,0,0,0|2,0,0]=4 1120 B9R0.2 C=C(Cl)CNCCSCC be34d3775f82bf388f4072c95a735932 [0,2,0,0,0,0|2,0,0]=4 1121 B9R0.2 C=C(Cl)COCCCCC 57ce6103051dc6a3f88df4c556cae1cb [0,2,0,0,0,0|1,1,0]=4 1122 B9R0.2 C=C(Cl)COCCCCF 567382900af5cdbe29a16c2ad078542b [0,2,0,0,0,0|1,1,0]=4 1123 B9R0.2 C=C(Cl)COCCCCS 6d2e486e1ec1a305effa235ddd5681b2 [0,2,0,0,0,0|1,1,0]=4 1124 B9R0.2 C=C(Cl)COCCCOC a468fb93755d9f5366e10bd900631531 [0,2,0,0,0,0|1,1,0]=4 1125 B9R0.2 C=C(Cl)COCCCSC 9f18158a03f253996639947f3c3e438f [0,2,0,0,0,0|1,1,0]=4 1126 B9R0.2 C=C(Cl)COCCOCC 421cc8d91a44a370d0764c174fc7914a [0,2,0,0,0,0|1,1,0]=4 1127 B9R0.2 C=C(Cl)COCCSCC d345fb4a323db8f45f6ac36761aa1ebe [0,2,0,0,0,0|1,1,0]=4 1128 B9R0.2 C=C(F)CNCCCCCl 761bebe0832055a65e98ed281f773c78 [0,2,0,0,0,0|2,0,0]=4 1129 B9R0.2 C=C(F)CNCCCCO cb7a959baa54bf2f113c6a0aefb6408c [0,2,0,0,0,0|2,0,0]=4 1130 B9R0.2 C=C(F)CNCCCSC df38254f0fa48a87c14ccc1978436327 [0,2,0,0,0,0|2,0,0]=4 1131 B9R0.2 C=C(F)CNCCSCC 46da77e19d87bd39cb815986f8047e75 [0,2,0,0,0,0|2,0,0]=4 1132 B9R0.2 C=C(F)COCCCCC 0f55d43253501cd8e5c46108728cd273 [0,2,0,0,0,0|1,1,0]=4 1133 B9R0.2 C=C(F)COCCCCF d33e0990d3dfe90fd10847ec2a6c2d5d [0,2,0,0,0,0|1,1,0]=4 1134 B9R0.2 C=C(F)COCCCCS 4b1e094f2ade4de23dfea50a3fbd3605 [0,2,0,0,0,0|1,1,0]=4 1135 B9R0.2 C=C(F)COCCCOC 099ba9b5ad1513a7e3cbef2be9d1fdac [0,2,0,0,0,0|1,1,0]=4 1136 B9R0.2 C=C(F)COCCCSC 3774eb63bb00bd17a7135027babe2992 [0,2,0,0,0,0|1,1,0]=4 1137 B9R0.2 C=C(F)COCCOCC ad422a2bc0564566d990a9adfdecaac6 [0,2,0,0,0,0|1,1,0]=4 1138 B9R0.2 C=C(F)COCCSCC bbd04362f0872b5ceba8a7a42c56bfb4 [0,2,0,0,0,0|1,1,0]=4 1139 B9R0.2 C=C(I)COCCCCC c852b2428fca73d35ed637c77ee2c36e [0,2,0,0,0,0|1,1,0]=4 1140 B9R0.2 C=C(I)COCCCCF 08ab89f0db0ad370ac41c4b15db42cba [0,2,0,0,0,0|1,1,0]=4 1141 B9R0.2 C=C(I)COCCCOC 369b68cc758a31d752e1dc56f8ee0af7 [0,2,0,0,0,0|1,1,0]=4 1142 B9R0.2 C=C(I)COCCCSC 5d0c97ba36352d4811d8649d537df4d6 [0,2,0,0,0,0|1,1,0]=4 1143 B9R0.2 C=C(I)COCCOCC 0b5afc65e1ebe418868266904d39aa3a [0,2,0,0,0,0|1,1,0]=4 1144 B9R0.2 C=C(I)COCCSCC e5211c118d8c61788b0570d5ad93a21c [0,2,0,0,0,0|1,1,0]=4 1145 B9R0.2 C=C=CCCOCC(C)C 3c06c5c58fea6440f92674cd035fcc21 [0,2,0,0,0,0|1,1,0]=4 1146 B9R0.2 C=CCCCCNC(C)C 83b8cd91d9fc83d66ce313beef45089c [0,2,0,0,0,0|2,0,0]=4 1147 B9R0.2 C=CCCCCOC(C)C 3cfc8aac993bdcac35393799ce22521b [0,2,0,0,0,0|2,0,0]=4 1148 B9R0.2 C=CCCCNCC(C)C 62ec41d1afa0af4d7423b970903e54b2 [0,2,0,0,0,0|2,0,0]=4 1149 B9R0.2 C=CCCCNCC(C)O 4a3b6f82c18763a4fc62f442d8f6e078 [0,2,0,0,0,0|2,0,0]=4 1150 B9R0.2 C=CCCCNC[C@@H](C)O 983f0c675aea640173991cab18e2df22 [0,2,0,0,0,0|2,0,0]=4 1151 B9R0.2 C=CCCCNC[C@H](C)O a263ed32c61d1371d0b28eb47dc2375c [0,2,0,0,0,0|2,0,0]=4 1152 B9R0.2 C=CCCCOCC(C)C 65d5a16810333c61b1decb3cdf4c633e [0,2,0,0,0,0|1,1,0]=4 1153 B9R0.2 C=CCCCOCC(C)F ebd6c46dc6feb1a9b0cd67651d6381bb [0,2,0,0,0,0|1,1,0]=4 1154 B9R0.2 C=CCCCOCC(C)S e1b8c86c5c63d2741e4da26ed9f7909e [0,2,0,0,0,0|1,1,0]=4 1155 B9R0.2 C=CCCCOC[C@@H](C)F 9809ea5df8507870959787a7efe1be52 [0,2,0,0,0,0|1,1,0]=4 1156 B9R0.2 C=CCCCOC[C@H](C)F a96e0b56fe6ecfed1be90097d9bc1b6d [0,2,0,0,0,0|1,1,0]=4 1157 B9R0.2 C=CCCNCCC(=C)C 78f8dff4c86a45403bfd613a7f3ad83e [0,2,0,0,0,0|2,0,0]=4 1158 B9R0.2 C=CCCNCCC(=O)C 931becbc31ffa1a17243333f7bced09b [0,2,0,0,0,0|2,0,0]=4 1159 B9R0.2 C=CCCNCCC(C)C fae91ca1d68c6146fdd58721047b97e7 [0,2,0,0,0,0|2,0,0]=4 1160 B9R0.2 C=CCCNCCC(C)O b8492dec9a37e008414ce0bf89db15b0 [0,2,0,0,0,0|2,0,0]=4 1161 B9R0.2 C=CCCNCCC(F)F eec340096ffb067d7da3fd7eb154a899 [0,2,0,0,0,0|2,0,0]=4 1162 B9R0.2 C=CCCNCCN(C)C d02f9dd43f85d8b080f7151bca3c8a94 [0,2,0,0,0,0|2,0,0]=4 1163 B9R0.2 C=CCCNCCS(=O)C 3f26e903d2a2675654b14fbe1149d99b [0,2,0,0,0,0|2,0,0]=4 1164 B9R0.2 C=CCCNCC[C@@H](C)O f3546862ad4e759378d31e927269ce7b [0,2,0,0,0,0|2,0,0]=4 1165 B9R0.2 C=CCCNCC[C@H](C)O a2cdfa15e30295a5704136a6f7dfa9db [0,2,0,0,0,0|2,0,0]=4 1166 B9R0.2 C=CCCNCOC(C)C 4539adf926437872c35c2213c4eb3398 [0,2,0,0,0,0|2,0,0]=4 1167 B9R0.2 C=CCCOCCC(=C)C d03e028db1137b4f0e447e561dff7239 [0,2,0,0,0,0|1,1,0]=4 1168 B9R0.2 C=CCCOCCC(=O)C 132546dab84893072980505fc0c16835 [0,2,0,0,0,0|1,1,0]=4 1169 B9R0.2 C=CCCOCCC(C)C 792c9a1755bacca74235abb3c322c011 [0,2,0,0,0,0|1,1,0]=4 1170 B9R0.2 C=CCCOCCC(F)F f03c1f544fe77b2c45906fa366810b66 [0,2,0,0,0,0|1,1,0]=4 1171 B9R0.2 C=CCCOCCN(C)C 923323255e87afbaf59a0bb53c2394c5 [0,2,0,0,0,0|1,1,0]=4 1172 B9R0.2 C=CCCOCCS(=O)C 6c2eb61b2a3bbb2e7a5a30de108d3a8d [0,2,0,0,0,0|1,1,0]=4 1173 B9R0.2 C=CCCOCOC(C)C 06614be4eddf16a0020962a5e7b5b398 [0,2,0,0,0,0|1,1,0]=4 1174 B9R0.2 C=CCNCCCC(C)C b5ede8a56364bb106084a5388e2bd2f9 [0,2,0,0,0,0|2,0,0]=4 1175 B9R0.2 C=CCNCCCN(C)C 3510572f1249fd8e067be16ad9190588 [0,2,0,0,0,0|2,0,0]=4 1176 B9R0.2 C=CCNCCCS(=O)C 5fc5523f2278ae2710f882ee0c7db7d4 [0,2,0,0,0,0|2,0,0]=4 1177 B9R0.2 C=CCNCCOC(C)C 723d705203d35c2621e6c781ea5ffddf [0,2,0,0,0,0|2,0,0]=4 1178 B9R0.2 C=CCOCCCC(=C)C 76e95f7e92154fd318395db4b0cdc1dd [0,2,0,0,0,0|1,1,0]=4 1179 B9R0.2 C=CCOCCCC(=O)C 7c50ee2dd017285f672ea091a47723d2 [0,2,0,0,0,0|1,1,0]=4 1180 B9R0.2 C=CCOCCCC(C)C ce1ea84c12026359cf2725f08aa7a070 [0,2,0,0,0,0|1,1,0]=4 1181 B9R0.2 C=CCOCCCN(C)C 91a5e5763d7633b0a06ea1c39345bbda [0,2,0,0,0,0|1,1,0]=4 1182 B9R0.2 C=CCOCCOC(C)C 64e038ab048ac5eba8efb42f7a120613 [0,2,0,0,0,0|1,1,0]=4 1183 B9R0.2 C=CCOCCSC(C)C 75d998ca421b16afe4184cffadd19bdf [0,2,0,0,0,0|1,1,0]=4 1184 B9R0.2 C=COCCNCC(C)C a06e4680115927d5360f337be7af0873 [0,2,0,0,0,0|2,0,0]=4 1185 B9R0.2 C=COCCNCC(C)O 789be98f12e5b0a06a59a99695d75afb [0,2,0,0,0,0|2,0,0]=4 1186 B9R0.2 C=COCCNC[C@@H](C)O 987571217d13fe5ab112e0581a2d3587 [0,2,0,0,0,0|2,0,0]=4 1187 B9R0.2 C=COCCNC[C@H](C)O 645d83b788089bb4ef88c7b87cc7e56a [0,2,0,0,0,0|2,0,0]=4 1188 B9R0.2 C=COCCOCC(C)C 037c83e0afa78f2fb0f987f38801cc5b [0,2,0,0,0,0|1,1,0]=4 1189 B9R0.2 CC(C)CCNC/C=C/Cl 237c4c2d86dbbf51ce3c729051957e8a [0,2,0,0,0,0|2,0,0]=4 1190 B9R0.2 CC(C)CCNC/C=C\Cl 57ecff21590177c88dd60c5ab53d0780 [0,2,0,0,0,0|2,0,0]=4 1191 B9R0.2 CC(C)CCNC/C=C\O 4a69f39b034ff59b8a1dc33249998561 [0,2,0,0,0,0|2,0,0]=4 1192 B9R0.2 CC(C)CCOC/C=C/Cl af36774aea6890b49c96e57bfbd85829 [0,2,0,0,0,0|1,1,0]=4 1193 B9R0.2 CC(C)CCOC/C=C\Cl 14694a3bf1719ab61da2a1bcc432778d [0,2,0,0,0,0|1,1,0]=4 1194 B9R0.2 CC(C)CCOCC=CCl 2319fde1b40d065e576c3f130ba40a66 [0,2,0,0,0,0|1,1,0]=4 1195 B9R0.2 CC(O)CCNC/C=C/Cl 546879a594189518144ae918726d162f [0,2,0,0,0,0|2,0,0]=4 1196 B9R0.2 CC(O)CCNC/C=C\Cl 79a004624e9fc87324e6b348bbbbff64 [0,2,0,0,0,0|2,0,0]=4 1197 B9R0.2 CC(O)CCNC/C=C\O 96a542151eb72c27d8a3b50be68db1b4 [0,2,0,0,0,0|2,0,0]=4 1198 B9R0.2 CC=CCNCCC(C)C 9a4b1ab370306d604a9d3deec3abbe53 [0,2,0,0,0,0|2,0,0]=4 1199 B9R0.2 CC=CCNCCC(C)O da50ff235f5b0725b75ee0d58d7c04ce [0,2,0,0,0,0|2,0,0]=4 1200 B9R0.2 CC=CCOCCC(C)C 6a4ac7fe69724da0bd8975ee85d858c6 [0,2,0,0,0,0|1,1,0]=4 1201 B9R0.2 CCCCNC/C=C(/C)\I 96ab734b7ce21482610c71b6ec7a0087 [0,2,0,0,0,0|2,0,0]=4 1202 B9R0.2 CCCCNC/C=C(\C)/Cl cc815245be4b93926fd334c586089c95 [0,2,0,0,0,0|2,0,0]=4 1203 B9R0.2 CCCCNCC=C(C)C fecf7e997f5d1af1b094a02b011b0ef1 [0,2,0,0,0,0|2,0,0]=4 1204 B9R0.2 CCCCNCC=C(C)Cl 2e3d05b023f03cd9b003c981af64ea51 [0,2,0,0,0,0|2,0,0]=4 1205 B9R0.2 CCCCNCC=C(C)I 30884b68d06af4a4b3dead6018681c13 [0,2,0,0,0,0|2,0,0]=4 1206 B9R0.2 CCCCNCC=C(Cl)Cl c4cb9460d98eafb7c67ffb885b4343a6 [0,2,0,0,0,0|2,0,0]=4 1207 B9R0.2 CCCCOC/C=C(/C)\Cl 960fdaf47adbe5ca8fe9706c44ec1044 [0,2,0,0,0,0|1,1,0]=4 1208 B9R0.2 CCCCOC/C=C(/C)\I b03bc4260bec39be9cf79aca08c38129 [0,2,0,0,0,0|1,1,0]=4 1209 B9R0.2 CCCCOC/C=C(\C)/Cl 743307406907de86af1ae076bd836ab4 [0,2,0,0,0,0|1,1,0]=4 1210 B9R0.2 CCCCOCC=C(C)C 761455161b359ecdf381fb2c7e2674d3 [0,2,0,0,0,0|1,1,0]=4 1211 B9R0.2 CCCCOCC=C(C)Cl 48d4f013d4d198147254b8b64c0376c6 [0,2,0,0,0,0|1,1,0]=4 1212 B9R0.2 CCCCOCC=C(C)I b84310eb2159cdbf6c2e4af756a6961c [0,2,0,0,0,0|1,1,0]=4 1213 B9R0.2 CCCCOCC=C(Cl)Cl d0b56f5b497e46da48877a2a743f5f62 [0,2,0,0,0,0|1,1,0]=4 1214 B9R0.2 CCCNCCC=C(C)C ced8054c93d3346fab5137bb99fb0f73 [0,2,0,0,0,0|2,0,0]=4 1215 B9R0.2 CCCNCCC=C(F)F 3981bbaf3e3910f0824696327c10e0cb [0,2,0,0,0,0|2,0,0]=4 1216 B9R0.2 CCCOCCC=C(C)C ff6fc9b7b0a2446d5a1ca048cc1d0112 [0,2,0,0,0,0|1,1,0]=4 1217 B9R0.2 CCCOCCC=C(F)F b6ba6e0b93a8e2b72e4e1e6aa2b1e736 [0,2,0,0,0,0|1,1,0]=4 1218 B9R0.2 CCNCCSCC(=O)O e5cfcab4344048d57fb6458a9d7ade29 [0,2,0,0,0,0|2,0,0]=4 1219 B9R0.2 CCOCCSCC(=O)N b5b59951777a4ee8ec00ef909fa6de61 [0,2,0,0,0,0|2,0,0]=4 1220 B9R0.2 C[C@@H](O)CCNC/C=C/Cl ba70ddc0796ca335db42ab07b60aef5c [0,2,0,0,0,0|2,0,0]=4 1221 B9R0.2 C[C@@H](O)CCNC/C=C\Cl 100509e355d0fb4e45695eda89d48295 [0,2,0,0,0,0|2,0,0]=4 1222 B9R0.2 C[C@@H](O)CCNC/C=C\O 224feb9514dcfb4508c387f785d6793e [0,2,0,0,0,0|2,0,0]=4 1223 B9R0.2 C[C@H](O)CCNC/C=C/Cl e421673cb9b6432414de0591ad3b9062 [0,2,0,0,0,0|2,0,0]=4 1224 B9R0.2 C[C@H](O)CCNC/C=C\Cl e952899cc9249ddc8f27f399bf2a7940 [0,2,0,0,0,0|2,0,0]=4 1225 B9R0.2 C[C@H](O)CCNC/C=C\O 96a4878c5f3ab193556c31163aa18cdb [0,2,0,0,0,0|2,0,0]=4 1226 B9R0.45 C#CCCCCNCC=C d78ec041ab6e13773300da99e2869930 [0,2,0,0,0,0|2,0,0]=4 1227 B9R0.45 C#CCCCCOCC=C f78317bf767ec5caf80d65406e67b65a [0,2,0,0,0,0|1,1,0]=4 1228 B9R0.45 C#CCCCNCCC=C c7b2e4296cfa3308456b55329896ba93 [0,2,0,0,0,0|2,0,0]=4 1229 B9R0.45 C#CCCCOCCC=C b4c78990c18b500a93361a7d17bf66ad [0,2,0,0,0,0|1,1,0]=4 1230 B9R0.45 C/C=C/CCCOCCC 6078f7ffc27dfa8185f6236738ef681e [0,2,0,0,0,0|1,1,0]=4 1231 B9R0.45 C/C=C/CCOCCCC 34807d765a53dafaafda84290da499b4 [0,2,0,0,0,0|1,1,0]=4 1232 B9R0.45 C/C=C/CCOCCCF 7aa23dea8d53e360b9f2d936094e90b4 [0,2,0,0,0,0|1,1,0]=4 1233 B9R0.45 C/C=C/CCOCCCS 16508b6b2e4961769bb0921f28d0d285 [0,2,0,0,0,0|1,1,0]=4 1234 B9R0.45 C/C=C/CCOCCOC 59a729a9ab4033a1eb656d78838ea440 [0,2,0,0,0,0|1,1,0]=4 1235 B9R0.45 C/C=C/CCOCCSC 2d38818cd58c8496cbe29fdb8c8df6f6 [0,2,0,0,0,0|1,1,0]=4 1236 B9R0.45 C/C=C/CCOCOCC 70f3c48b000346091f71231d91c9996a [0,2,0,0,0,0|1,1,0]=4 1237 B9R0.45 C/C=C/CNCCCCC 173af57cfda70fbf416f0d5599bfa036 [0,2,0,0,0,0|2,0,0]=4 1238 B9R0.45 C/C=C/CNCCCCCl 403d470282ab81a987b4c495ce3e65b2 [0,2,0,0,0,0|2,0,0]=4 1239 B9R0.45 C/C=C/CNCCCCO ed0a9542760a19dc2971710326afc5ed [0,2,0,0,0,0|2,0,0]=4 1240 B9R0.45 C/C=C/CNCCCCS 42dce55feee6c9dd8609de6ac4aac20c [0,2,0,0,0,0|2,0,0]=4 1241 B9R0.45 C/C=C/CNCCCOC d2a8bcecabfc4119973e200bdda0f952 [0,2,0,0,0,0|2,0,0]=4 1242 B9R0.45 C/C=C/CNCCCSC a0c3ea3106200fc97b7a508253b676e7 [0,2,0,0,0,0|2,0,0]=4 1243 B9R0.45 C/C=C/CNCCOCC f6b74339a9458a435ce66f977b560c4d [0,2,0,0,0,0|2,0,0]=4 1244 B9R0.45 C/C=C/CNCCSCC 95eecb3a403e64e60768b69e1118582b [0,2,0,0,0,0|2,0,0]=4 1245 B9R0.45 C/C=C/COCCCCC 802c5cbc78037013e3e1230ad72e88ef [0,2,0,0,0,0|1,1,0]=4 1246 B9R0.45 C/C=C/COCCCCF b0a7ff31431d01dbfa0473bc3bacab4f [0,2,0,0,0,0|1,1,0]=4 1247 B9R0.45 C/C=C/COCCCCS ead8e557468ab6fca0834520c9a02bff [0,2,0,0,0,0|1,1,0]=4 1248 B9R0.45 C/C=C/COCCCOC 5f1bc5bcae94818ab169f2532d800a96 [0,2,0,0,0,0|1,1,0]=4 1249 B9R0.45 C/C=C/COCCCSC 3e859da376a456131ea6c3009e2e9528 [0,2,0,0,0,0|1,1,0]=4 1250 B9R0.45 C/C=C/COCCOCC 63fd2e31279ac1c3bb1fff8b57fcdcc1 [0,2,0,0,0,0|1,1,0]=4 1251 B9R0.45 C/C=C/COCCSCC dfcfe7131818abefbfad7e2a62a434a4 [0,2,0,0,0,0|1,1,0]=4 1252 B9R0.45 C/C=C\CCCNCCC bd38004b14a3ffe818d001cefe29aee7 [0,2,0,0,0,0|2,0,0]=4 1253 B9R0.45 C/C=C\CCCOCCC 083c73f409535e210af3eb7849dd56ad [0,2,0,0,0,0|1,1,0]=4 1254 B9R0.45 C/C=C\CNCCCCC 2ee64f407eb13d42c64dbdca505fc819 [0,2,0,0,0,0|2,0,0]=4 1255 B9R0.45 C/C=C\CNCCCCCl d6e4fe895f7ef2b8fd417beea3d06ba1 [0,2,0,0,0,0|2,0,0]=4 1256 B9R0.45 C/C=C\CNCCCCO 1d08969d68ccbef78e75866e633febcf [0,2,0,0,0,0|2,0,0]=4 1257 B9R0.45 C/C=C\CNCCCCS ee4c8a80fc61b5dece65cfcc4ca86e95 [0,2,0,0,0,0|2,0,0]=4 1258 B9R0.45 C/C=C\CNCCCOC 9d59f702f547863e47dcef2fd64f1076 [0,2,0,0,0,0|2,0,0]=4 1259 B9R0.45 C/C=C\CNCCCSC cc9fe3e4ecf87d5e0af0a89dd0b9be85 [0,2,0,0,0,0|2,0,0]=4 1260 B9R0.45 C/C=C\CNCCOCC ba717dd4ff72ae30428deaceceb8e900 [0,2,0,0,0,0|2,0,0]=4 1261 B9R0.45 C/C=C\CNCCSCC 2344b094cedbab19eb8690e73e8bd09c [0,2,0,0,0,0|2,0,0]=4 1262 B9R0.45 C/C=C\COCCCCC 49d9ba2c76d4226b734a25af963b3a40 [0,2,0,0,0,0|1,1,0]=4 1263 B9R0.45 C/C=C\COCCCCF 4a23eeff00f906196af3c2b6cb55a437 [0,2,0,0,0,0|1,1,0]=4 1264 B9R0.45 C/C=C\COCCCCS 4dc475746e1fe6ee2835b6bd42d9f2cf [0,2,0,0,0,0|1,1,0]=4 1265 B9R0.45 C/C=C\COCCCOC 70d17fbec46f317997436441f1a708dd [0,2,0,0,0,0|1,1,0]=4 1266 B9R0.45 C/C=C\COCCCSC 0b7bc762f4b85e8dd03675e638fdc3a7 [0,2,0,0,0,0|1,1,0]=4 1267 B9R0.45 C/C=C\COCCOCC f9def2c1c1305f202dbf7f1c0e571fc4 [0,2,0,0,0,0|1,1,0]=4 1268 B9R0.45 C/C=C\COCCSCC 6029c7fe7770a1e49d0d0365a70777a3 [0,2,0,0,0,0|1,1,0]=4 1269 B9R0.45 C=C/C=C/CCNCCC 83f5e14c911827042616181b3195dbb3 [0,2,0,0,0,0|2,0,0]=4 1270 B9R0.45 C=C=CCCOCCCC 5bd6b2c5c25cc2126ad420d63c19c871 [0,2,0,0,0,0|1,1,0]=4 1271 B9R0.45 C=C=CCCOCCCF f32bbd1607310b8957a11f5ab5026833 [0,2,0,0,0,0|1,1,0]=4 1272 B9R0.45 C=C=CCCOCCCS 88dd70ec2232058b36759f0d2ccd64f5 [0,2,0,0,0,0|1,1,0]=4 1273 B9R0.45 C=C=CCCOCCOC 2f73065aed8e0eff7d3149ecfddebc3a [0,2,0,0,0,0|1,1,0]=4 1274 B9R0.45 C=C=CCCOCCSC 3195f535d75753998c906fda4d23644b [0,2,0,0,0,0|1,1,0]=4 1275 B9R0.45 C=C=CCCOCOCC f39907bfb41226b90de75a1cc9f7663a [0,2,0,0,0,0|1,1,0]=4 1276 B9R0.45 C=CCC#CCCOCC 5a601c857b0ffa60cac2230e7986e203 [0,2,0,0,0,0|2,0,0]=4 1277 B9R0.45 C=CCC#CCCOCF b0db918cc21b4cfe240f37da48b99249 [0,2,0,0,0,0|2,0,0]=4 1278 B9R0.45 C=CCCCCCNCC 890f1c6c1d85667d7cffa859ba2c1d3e [0,2,0,0,0,0|2,0,0]=4 1279 B9R0.45 C=CCCCCCNCF 5758c179fab104be34b09f047afc1fd5 [0,2,0,0,0,0|2,0,0]=4 1280 B9R0.45 C=CCCCCCNCO 4058549cb0627342cdb023e8e5d092ea [0,2,0,0,0,0|2,0,0]=4 1281 B9R0.45 C=CCCCCCOCC 23f590b48ebd5146440db0699ec4bb83 [0,2,0,0,0,0|2,0,0]=4 1282 B9R0.45 C=CCCCCCOCF b04f839cfe9fd44ba94f605d82c4d0ae [0,2,0,0,0,0|2,0,0]=4 1283 B9R0.45 C=CCCCCNCC=C 8ac5ddba0a702b080640fb7723c96adf [0,2,0,0,0,0|2,0,0]=4 1284 B9R0.45 C=CCCCCNCCBr 07640e6f216624020c084c51b2b6c0e3 [0,2,0,0,0,0|2,0,0]=4 1285 B9R0.45 C=CCCCCNCCC 1c3124d4bfead54322e8b6cd10acbe7e [0,2,0,0,0,0|2,0,0]=4 1286 B9R0.45 C=CCCCCNCCF bb135346f8d1f2fd9649100cc9cfdedb [0,2,0,0,0,0|2,0,0]=4 1287 B9R0.45 C=CCCCCNCCI 0a6513107528ba2abea852f44f3eb8ef [0,2,0,0,0,0|2,0,0]=4 1288 B9R0.45 C=CCCCCNCCO e90dd5dffbcd01a756bbd1f730cda699 [0,2,0,0,0,0|2,0,0]=4 1289 B9R0.45 C=CCCCCNCCS 981cc28718f0e82344c822015e52ce6e [0,2,0,0,0,0|2,0,0]=4 1290 B9R0.45 C=CCCCCNCOC 5b0c229bd641ac48d7ec078b3fc2ec2d [0,2,0,0,0,0|2,0,0]=4 1291 B9R0.45 C=CCCCCNCSC 12aaafcb136d8a0d0bd01b0db509102e [0,2,0,0,0,0|2,0,0]=4 1292 B9R0.45 C=CCCCCOCC=C f6554188cdda1eefbb9a452a96a54e31 [0,2,0,0,0,0|1,1,0]=4 1293 B9R0.45 C=CCCCCOCCC f624e5cfeefd7c8f70f95b431a05113e [0,2,0,0,0,0|1,1,0]=4 1294 B9R0.45 C=CCCCCOCCF e5688e416989ce0b8e2de252ce333c03 [0,2,0,0,0,0|2,0,0]=4 1295 B9R0.45 C=CCCCCOCCS 10dfd3c079a28d4d3066722414bfb2da [0,2,0,0,0,0|2,0,0]=4 1296 B9R0.45 C=CCCCCOCOC 374793be8a31c9ce728cb14abf402af4 [0,2,0,0,0,0|2,0,0]=4 1297 B9R0.45 C=CCCCCOCSC 195324d17fdf202ccef6359b6b5e3bb9 [0,2,0,0,0,0|2,0,0]=4 1298 B9R0.45 C=CCCCNCCC=C c42b4450581d48e6b8cf2987820be704 [0,2,0,0,0,0|2,0,0]=4 1299 B9R0.45 C=CCCCNCCCC fa1d0b4e193451fb553c9cd2afd75cca [0,2,0,0,0,0|2,0,0]=4 1300 B9R0.45 C=CCCCNCCCCl c0c501ba24935f3fdc55a6800c85d9f5 [0,2,0,0,0,0|2,0,0]=4 1301 B9R0.45 C=CCCCNCCCF 4fbf6888b4902e4977d561796e7f3c35 [0,2,0,0,0,0|2,0,0]=4 1302 B9R0.45 C=CCCCNCCCO 49ff67fd32a7e48d035cc39e8c6c93f5 [0,2,0,0,0,0|2,0,0]=4 1303 B9R0.45 C=CCCCNCCCS e91fc8975e9281b0c28f44d8e3139816 [0,2,0,0,0,0|2,0,0]=4 1304 B9R0.45 C=CCCCNCCOC 759115f4101e6143ad6ba137d2cb2134 [0,2,0,0,0,0|2,0,0]=4 1305 B9R0.45 C=CCCCNCCSC 835ee46189c1f88d4cdbdcc67650ffcb [0,2,0,0,0,0|2,0,0]=4 1306 B9R0.45 C=CCCCNCOCC f02bd04312dd897bff39b6bd9b93bc49 [0,2,0,0,0,0|2,0,0]=4 1307 B9R0.45 C=CCCCOCCC=C 295e6ddf540018db3a0c5b09f6fc6942 [0,2,0,0,0,0|1,1,0]=4 1308 B9R0.45 C=CCCCOCCCC e8806365586991cd800b2ef6da7fc881 [0,2,0,0,0,0|1,1,0]=4 1309 B9R0.45 C=CCCCOCCCF 2e6d7089b14dd641e54a76ae7dadaa14 [0,2,0,0,0,0|1,1,0]=4 1310 B9R0.45 C=CCCCOCCCS 00ab52b736b42ecb74aa8e1b43a7e9be [0,2,0,0,0,0|1,1,0]=4 1311 B9R0.45 C=CCCCOCCOC 3f3e29bd58ea27c0ff854dd25e431ca0 [0,2,0,0,0,0|1,1,0]=4 1312 B9R0.45 C=CCCCOCCSC 27b8b1769c1651eaa64484ccb85191f8 [0,2,0,0,0,0|1,1,0]=4 1313 B9R0.45 C=CCCCOCOCC 1cb3725d57ca40858b757ece9ea622f2 [0,2,0,0,0,0|1,1,0]=4 1314 B9R0.45 C=CCCNC/C=C/CC def195dbff5584bfe012c7ee379501c2 [0,2,0,0,0,0|2,0,0]=4 1315 B9R0.45 C=CCCNCC#CCC 756aad1ae79f203bf6ea97d7555b4a3f [0,2,0,0,0,0|2,0,0]=4 1316 B9R0.45 C=CCCNCCCC#N 57940563efaf00352bfb203b8b05c9d8 [0,2,0,0,0,0|2,0,0]=4 1317 B9R0.45 C=CCCNCCCC=O b39d2f6f1f09b8a0598e7314d1e74905 [0,2,0,0,0,0|2,0,0]=4 1318 B9R0.45 C=CCCNCCCCC a855019ae48c9b8cf6923444d001ccd3 [0,2,0,0,0,0|2,0,0]=4 1319 B9R0.45 C=CCCNCCCCCl a117ce913481632f0688d24994247e2a [0,2,0,0,0,0|2,0,0]=4 1320 B9R0.45 C=CCCNCCCCF efc5a9a56f0e77778e0d77be991290d0 [0,2,0,0,0,0|2,0,0]=4 1321 B9R0.45 C=CCCNCCCCO 483ccf905bb3e32f0679d7de05961fd6 [0,2,0,0,0,0|2,0,0]=4 1322 B9R0.45 C=CCCNCCCCS eb80eda9fad56453c79d6797c2b54750 [0,2,0,0,0,0|2,0,0]=4 1323 B9R0.45 C=CCCNCCCOC f114ed09e62c1c84dddd4497e61d0709 [0,2,0,0,0,0|2,0,0]=4 1324 B9R0.45 C=CCCNCCCSC 82fa4646237d709aa853365c812d6ebb [0,2,0,0,0,0|2,0,0]=4 1325 B9R0.45 C=CCCNCCOCC 3004d01d837d0f88a49d7ce90fd1bde4 [0,2,0,0,0,0|2,0,0]=4 1326 B9R0.45 C=CCCNCCSCC 407d8c67af07288795fc606cb0bad476 [0,2,0,0,0,0|2,0,0]=4 1327 B9R0.45 C=CCCOC/C=C/CC 93f37936ec932f02a04d1af23fc6d4a6 [0,2,0,0,0,0|1,1,0]=4 1328 B9R0.45 C=CCCOC/C=C\CC 353d8f09b866f9610d2a0a5c958988fe [0,2,0,0,0,0|1,1,0]=4 1329 B9R0.45 C=CCCOCC#CCC 42ae0d71f72e633c4a8b2d49a1332127 [0,2,0,0,0,0|1,1,0]=4 1330 B9R0.45 C=CCCOCC/C=C/C 02bc0dfb02cee894d1854f0d5bcd976d [0,2,0,0,0,0|1,1,0]=4 1331 B9R0.45 C=CCCOCCC#CC ae7dbff157c3634fda07427f5e28de39 [0,2,0,0,0,0|1,1,0]=4 1332 B9R0.45 C=CCCOCCCC#N eff93b39875a1a2653a06dc6f83debe6 [0,2,0,0,0,0|1,1,0]=4 1333 B9R0.45 C=CCCOCCCC=O 7836d275180373c5f8265311bdcc7219 [0,2,0,0,0,0|1,1,0]=4 1334 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [0,2,0,0,0,0|1,1,0]=4 1335 B9R0.45 C=CCCOCCCCF d4ec7484466a64c13890e327fd29e039 [0,2,0,0,0,0|1,1,0]=4 1336 B9R0.45 C=CCCOCCCCS 46572775d6dca25538d12c4917173d07 [0,2,0,0,0,0|1,1,0]=4 1337 B9R0.45 C=CCCOCCCOC 2c2711f1681894e043a28c331b1790e2 [0,2,0,0,0,0|1,1,0]=4 1338 B9R0.45 C=CCCOCCCSC a45023388d7b0125e3891a4f7bb25903 [0,2,0,0,0,0|1,1,0]=4 1339 B9R0.45 C=CCCOCCOCC d362d26f2d685dd3fa35bff0ccc84647 [0,2,0,0,0,0|1,1,0]=4 1340 B9R0.45 C=CCCOCCSCC fcb13c630a689c43c3fade0981e1cb62 [0,2,0,0,0,0|1,1,0]=4 1341 B9R0.45 C=CCNCCCCC#N 6f4980f5094b63f5f6ff1459fb501dbe [0,2,0,0,0,0|2,0,0]=4 1342 B9R0.45 C=CCNCCCCCC 6384eba9acd253c5ddf82f9491922adb [0,2,0,0,0,0|2,0,0]=4 1343 B9R0.45 C=CCNCCCCCCl 39b003764fbe36df5eaf2287055cfd68 [0,2,0,0,0,0|2,0,0]=4 1344 B9R0.45 C=CCNCCCCCO b81fe78c797f2a70aa21f5595d13d0f6 [0,2,0,0,0,0|2,0,0]=4 1345 B9R0.45 C=CCNCCCCOC 8d21e2ed462bb4954ce80ad5a5ca8a27 [0,2,0,0,0,0|2,0,0]=4 1346 B9R0.45 C=CCNCCCCSC cb376474ea5d0373c451927e013a14c9 [0,2,0,0,0,0|2,0,0]=4 1347 B9R0.45 C=CCNCCCOCC 2c5fb06034b78ea915033df9203a28d2 [0,2,0,0,0,0|2,0,0]=4 1348 B9R0.45 C=CCNCCOCCC 2f529c37c6157fe0a2cf6ac6ecb62671 [0,2,0,0,0,0|1,1,0]=4 1349 B9R0.45 C=CCNCCOCCO bc56290d34b38e37fb1d7738d9ad2f64 [0,2,0,0,0,0|2,0,0]=4 1350 B9R0.45 C=CCNCCOCCS 6fd5382e230b67cdd561d891d88a4788 [0,2,0,0,0,0|2,0,0]=4 1351 B9R0.45 C=CCNCCSCCO ebc87df9fab511d2adbcb824964ed78b [0,2,0,0,0,0|2,0,0]=4 1352 B9R0.45 C=CCOC/C=C/CCC 03f943a302f07b256fea7fe612c77864 [0,2,0,0,0,0|1,1,0]=4 1353 B9R0.45 C=CCOC/C=C\CCC 4432a6c92de315c9d357463297069e17 [0,2,0,0,0,0|1,1,0]=4 1354 B9R0.45 C=CCOCC#CCCC 61960cad58b07faaa39f31a59372818c [0,2,0,0,0,0|1,1,0]=4 1355 B9R0.45 C=CCOCC/C=C/CC d3a6361fd98a3a77c09decf732113b8c [0,2,0,0,0,0|1,1,0]=4 1356 B9R0.45 C=CCOCC/C=C\CC 75e789e3e347a0b07ef9e85b5dbe7cef [0,2,0,0,0,0|1,1,0]=4 1357 B9R0.45 C=CCOCCC#CCC 38b5618438defebc0d615743ee804bec [0,2,0,0,0,0|1,1,0]=4 1358 B9R0.45 C=CCOCCC/C=C/C 217b2434c43204a188c3b14919533da4 [0,2,0,0,0,0|1,1,0]=4 1359 B9R0.45 C=CCOCCC/C=C\C a944933b0505ca3c9235967299c45883 [0,2,0,0,0,0|1,1,0]=4 1360 B9R0.45 C=CCOCCCC#CC bd10cca88eafe64817f19111770d9999 [0,2,0,0,0,0|1,1,0]=4 1361 B9R0.45 C=CCOCCCC=CC 0f2672606a77485816b1b1be6b9e708b [0,2,0,0,0,0|1,1,0]=4 1362 B9R0.45 C=CCOCCCCC#N 9b9458085a9c36131d7507247e12680a [0,2,0,0,0,0|1,1,0]=4 1363 B9R0.45 C=CCOCCCCC=O 37f121bf5671a3553e184a5b90c564ae [0,2,0,0,0,0|1,1,0]=4 1364 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [0,2,0,0,0,0|1,1,0]=4 1365 B9R0.45 C=CCOCCCCOC 128cb8201d6a9addfa90ce2aa3d56855 [0,2,0,0,0,0|1,1,0]=4 1366 B9R0.45 C=CCOCCCCSC d6f879632d2f8647ad8df3191aa8d592 [0,2,0,0,0,0|1,1,0]=4 1367 B9R0.45 C=CCOCCCOCC 07f39b6bf8d420b1e0d79a059a1cabfd [0,2,0,0,0,0|1,1,0]=4 1368 B9R0.45 C=CCOCCCSCC 010127de1abeb4b03bb349c6ddd307c9 [0,2,0,0,0,0|1,1,0]=4 1369 B9R0.45 C=CCOCCNCCBr 489407cc9f6e4cb0888de594893b5bb6 [0,2,0,0,0,0|1,1,0]=4 1370 B9R0.45 C=CCOCCNCCC 9694c4d9a9f18cb3ea4ec1572bfb4ddb [0,2,0,0,0,0|1,1,0]=4 1371 B9R0.45 C=CCOCCNCCF d3ca3fa67b449337438ce4b90bfbb64a [0,2,0,0,0,0|1,1,0]=4 1372 B9R0.45 C=CCOCCNCCI 49d8851e5849763ee217c4bfab4918ff [0,2,0,0,0,0|1,1,0]=4 1373 B9R0.45 C=CCOCCNCCO 637d5384b367c2111cf0eccdf31f0731 [0,2,0,0,0,0|1,1,0]=4 1374 B9R0.45 C=CCOCCNCCS 02176bc66981ce342fea75fbe04f7cf2 [0,2,0,0,0,0|1,1,0]=4 1375 B9R0.45 C=CCOCCOCCC efb69812f28efe0f9f62374b7669e490 [0,2,0,0,0,0|0,2,0]=4 1376 B9R0.45 C=CCOCCOCCF 3e0ad86dbc12511e2d2d4758fd9a036d [0,2,0,0,0,0|1,1,0]=4 1377 B9R0.45 C=CCOCCOCCS 70624696cc5e418779f211a09f520b40 [0,2,0,0,0,0|1,1,0]=4 1378 B9R0.45 C=CCOCCOCOC 1ad856357ce40e0de6ec31b427d3edaa [0,2,0,0,0,0|1,1,0]=4 1379 B9R0.45 C=CCOCCOCSC d10afb030a3f3094283be81776346e0e [0,2,0,0,0,0|1,1,0]=4 1380 B9R0.45 C=CCOCCSCCC 06be4be84f87fa36d14a267f98502073 [0,2,0,0,0,0|0,1,0]=3 1381 B9R0.45 C=COCCCCOCC af306989d4deb93a89f269ce19f884c9 [0,2,0,0,0,0|2,0,0]=4 1382 B9R0.45 C=COCCCNCCC 48f364dfd76ffa0b91930c0b5e61593d [0,2,0,0,0,0|2,0,0]=4 1383 B9R0.45 C=COCCNCCCC a4714520314ca7cd019c104ad0112ac9 [0,2,0,0,0,0|2,0,0]=4 1384 B9R0.45 C=COCCNCCCF f3e2b4fd1de0dc9bbf62d1b344a7bac4 [0,2,0,0,0,0|2,0,0]=4 1385 B9R0.45 C=COCCNCCCO d27f80adf1430ea08deaa2cefb519d7b [0,2,0,0,0,0|2,0,0]=4 1386 B9R0.45 C=COCCNCCCS 3141383726fb60b6effd0dcc6457a22f [0,2,0,0,0,0|2,0,0]=4 1387 B9R0.45 C=COCCNCCOC 8998d3f2852cb060cf80f9e513ded42d [0,2,0,0,0,0|2,0,0]=4 1388 B9R0.45 C=COCCNCCSC 0eb4df1ced90f3cd2e7965b4838f2c42 [0,2,0,0,0,0|2,0,0]=4 1389 B9R0.45 C=COCCNCOCC 1307fb188bd023c0a1e33682053c534b [0,2,0,0,0,0|2,0,0]=4 1390 B9R0.45 C=COCCOCCCC c861b9e6afb5156062cdccf5beab2100 [0,2,0,0,0,0|1,1,0]=4 1391 B9R0.45 C=COCCOCCCF 325dbbe62a7d23e9a09f0f079dac21f6 [0,2,0,0,0,0|1,1,0]=4 1392 B9R0.45 C=COCCOCCCS 84870c3b7ba54bfa81156e923badff1a [0,2,0,0,0,0|1,1,0]=4 1393 B9R0.45 C=COCCOCCOC d5c7454fb8eeee486998f67fc36cc9ef [0,2,0,0,0,0|1,1,0]=4 1394 B9R0.45 C=COCCOCCSC 711c9866788c25cca93044aa576a1794 [0,2,0,0,0,0|1,1,0]=4 1395 B9R0.45 C=COCCOCOCC 126e9a328f128a52a96dcf4759bdbcbd [0,2,0,0,0,0|1,1,0]=4 1396 B9R0.45 CC/C=C/CCOCCC 0a76c2aa4cb5309f57046e961567e1f0 [0,2,0,0,0,0|1,1,0]=4 1397 B9R0.45 CC/C=C/CNCCCC 205e3a3cf2dfbd78bc9d1c77318f250d [0,2,0,0,0,0|2,0,0]=4 1398 B9R0.45 CC/C=C/COCCCC 9dcd55c6f51e3b003595f546e655282b [0,2,0,0,0,0|1,1,0]=4 1399 B9R0.45 CC/C=C\CCNCCC 3bbbe00683e3d998587775bf41dd95d1 [0,2,0,0,0,0|2,0,0]=4 1400 B9R0.45 CC/C=C\CCOCCC 5fdb5a65a47740420a9d274005a3115f [0,2,0,0,0,0|1,1,0]=4 1401 B9R0.45 CC/C=C\COCCCC 02179af6b133216a2e2f2900dac6b807 [0,2,0,0,0,0|1,1,0]=4 1402 B9R0.45 CC=C=CCCOCCC c98648b64a6bd61fce8033f3515764f0 [0,2,0,0,0,0|1,1,0]=4 1403 B9R0.45 CC=CCCCOCCC 544004ad9efa2af2fea80f1c7a474136 [0,2,0,0,0,0|1,1,0]=4 1404 B9R0.45 CC=CCNCCCCC 4ef4adafa1d8c573d6eb296bc442117e [0,2,0,0,0,0|2,0,0]=4 1405 B9R0.45 CC=CCNCCCCF 62744c6021832e453433ea5e1cec96b9 [0,2,0,0,0,0|2,0,0]=4 1406 B9R0.45 CC=CCNCCCCO b6b45149b09015d2bafd23ae2a68f9c1 [0,2,0,0,0,0|2,0,0]=4 1407 B9R0.45 CC=CCNCCCOC b51c625de33f835a1cb45133d506e071 [0,2,0,0,0,0|2,0,0]=4 1408 B9R0.45 CC=CCNCCCSC 1f53d026b2687eb5d595941ef6929c04 [0,2,0,0,0,0|2,0,0]=4 1409 B9R0.45 CC=CCNCCOCC 7f373513c7f9bc55d0ea8511b91de21d [0,2,0,0,0,0|2,0,0]=4 1410 B9R0.45 CC=CCNCCSCC 1a215b32363568fc2cf3fa953039a194 [0,2,0,0,0,0|2,0,0]=4 1411 B9R0.45 CC=CCOCCCCC 805449d8867d5a337059530a7812a078 [0,2,0,0,0,0|1,1,0]=4 1412 B9R0.45 CC=CCOCCCCF 6a8cb9313ca4b7bd38d5b438c4e9236e [0,2,0,0,0,0|1,1,0]=4 1413 B9R0.45 CC=CCOCCCOC 0948e1eb74f1a2c9a6b4cce71af0db97 [0,2,0,0,0,0|1,1,0]=4 1414 B9R0.45 CC=CCOCCCSC 931be6d2224eec3dcf1624c2b5a2a6e2 [0,2,0,0,0,0|1,1,0]=4 1415 B9R0.45 CC=CCOCCOCC 8aaf0b6d05c0e664561b324cae6670b9 [0,2,0,0,0,0|1,1,0]=4 1416 B9R0.45 CC=CCOCCSCC 1bfa6bc70dcde019a8187f955a73222b [0,2,0,0,0,0|1,1,0]=4 1417 B9R0.45 CCCCCNC/C=C/Cl dd2b4d6593db8690c89984276577f51f [0,2,0,0,0,0|2,0,0]=4 1418 B9R0.45 CCCCCNC/C=C\Cl fb74b9636967ca4beacb07a8f7ddd469 [0,2,0,0,0,0|2,0,0]=4 1419 B9R0.45 CCCCCNC/C=C\O a03bd9f596fd925d470752532a1e67bf [0,2,0,0,0,0|2,0,0]=4 1420 B9R0.45 CCCCCOC/C=C/Cl 902b3675920ce425dd913260445c6a1b [0,2,0,0,0,0|1,1,0]=4 1421 B9R0.45 CCCCCOC/C=C\Cl 3081f394d252ec216de633eb3f90aefe [0,2,0,0,0,0|1,1,0]=4 1422 B9R0.45 CCCCCOCC=CCl 1caf48ce8f7b269d545bfce57c62ccdf [0,2,0,0,0,0|1,1,0]=4 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CCSCCNC/C=C\Cl 4bb5782123679a75cb69e1591b7caf68 [0,2,0,0,0,0|2,0,0]=4 1436 B9R0.45 CCSCCNC/C=C\O 25741737a09ab9cf25d1e1da49f5fc71 [0,2,0,0,0,0|2,0,0]=4 1437 B9R0.45 CCSCCOC/C=C/Cl 6cfc629a0a39bc85947360638f1f00ea [0,2,0,0,0,0|1,1,0]=4 1438 B9R0.45 CCSCCOC/C=C\Cl a1b2160a30b04ec1c30eb2293d1edd43 [0,2,0,0,0,0|1,1,0]=4 1439 B9R0.45 CCSCCOCC=CCl faebf2045f6536596b25d52101ab8d90 [0,2,0,0,0,0|1,1,0]=4 1440 B9R0.45 COCCCNC/C=C/Cl 8d18551060dd1bcf126073e3fc2a9c57 [0,2,0,0,0,0|2,0,0]=4 1441 B9R0.45 COCCCNC/C=C\Cl 8e52628755159a6ec62c6b51eb0f9000 [0,2,0,0,0,0|2,0,0]=4 1442 B9R0.45 COCCCNC/C=C\O 7a8902930f1f9f59b8140ba9fba85efe [0,2,0,0,0,0|2,0,0]=4 1443 B9R0.45 COCCCOC/C=C/Cl a8739e4e0c80c90fd23ea74e6e304e49 [0,2,0,0,0,0|1,1,0]=4 1444 B9R0.45 COCCCOC/C=C\Cl ac9aa020622232eaf51e601118f65e0a [0,2,0,0,0,0|1,1,0]=4 1445 B9R0.45 COCCCOCC=CCl d6219d0127e3cc631360d92b7573b59b [0,2,0,0,0,0|1,1,0]=4 1446 B9R0.45 CSCCCNC/C=C/Cl 26147ee23fcbb7edc468c63248b74796 [0,2,0,0,0,0|2,0,0]=4 1447 B9R0.45 CSCCCNC/C=C\Cl a744ad4beb89314a8ce5ae94bd950539 [0,2,0,0,0,0|2,0,0]=4 1448 B9R0.45 CSCCCNC/C=C\O e7fdc99181aca5fb372020cfd9c7eca5 [0,2,0,0,0,0|2,0,0]=4 1449 B9R0.45 CSCCCOC/C=C/Cl 953110c37c8f1d696f3b3d249468310d [0,2,0,0,0,0|1,1,0]=4 1450 B9R0.45 CSCCCOC/C=C\Cl e6fa9fc6ddc50d0b38473ef87e87ee22 [0,2,0,0,0,0|1,1,0]=4 1451 B9R0.45 CSCCCOCC=CCl 3c527ae5a2db076ec65c9486dca2bfef [0,2,0,0,0,0|1,1,0]=4 1452 B9R0.45 Cl/C=C/CNCCCCCl d2f8a6125b12efb07a719af9927ed6fa [0,2,0,0,0,0|2,0,0]=4 1453 B9R0.45 Cl/C=C\CNCCCCCl 1866cce1f568d3378c540b3fba6ebed2 [0,2,0,0,0,0|2,0,0]=4 1454 B9R0.45 FCCCCOC/C=C/Cl 8eb11471f2c3886d1faebc4a84a8f6cc [0,2,0,0,0,0|1,1,0]=4 1455 B9R0.45 FCCCCOC/C=C\Cl a7ea56c1fc92c39de2b154feb4ab02c9 [0,2,0,0,0,0|1,1,0]=4 1456 B9R0.45 FCCCCOCC=CCl ed0229fac74ff2828cf030685940c5a5 [0,2,0,0,0,0|1,1,0]=4 1457 B9R0.45 O/C=C\CNCCCCCl 32d99f4bcc2d097dc5f961a7d77eb85e [0,2,0,0,0,0|2,0,0]=4 1458 B9R0.45 O/C=C\CNCCCCO 3aa0b00108be3944a3394c12f0569f56 [0,2,0,0,0,0|2,0,0]=4 1459 B9R0.45 O/C=C\CNCCCCS e7c825c7fbc5972a6c8f8ade5068f2d0 [0,2,0,0,0,0|2,0,0]=4 1460 B9R0.45 O=CNCCSSCCO 38282050350e47f7065b0f12b10abf86 [0,2,0,0,0,0|1,0,1]=4 1461 B9R0.45 OCCCCNC/C=C/Cl 99e093bde3af5d4b3e6bf56d8b660730 [0,2,0,0,0,0|2,0,0]=4 1462 B9R0.45 OCCCCNC/C=C\Cl c678f5babe5e1761ad27d1425ff5cd37 [0,2,0,0,0,0|2,0,0]=4 1463 B9R0.45 OCCSSCCNCF e3e03ccdbb0962cbc60e9d88950edb7f [0,2,0,0,0,0|1,0,1]=4 1464 B9R0.45 OCCSSCCNCO 930bd4add62ed3a2a85beed66ae2f739 [0,2,0,0,0,0|1,0,1]=4 1465 B9R0.45 SCCCCNC/C=C/Cl 107983845b050d954cca3d1b9e73725e [0,2,0,0,0,0|2,0,0]=4 1466 B9R0.45 SCCCCNC/C=C\Cl c685fb927acdf3fc4f078a4ce9627dd4 [0,2,0,0,0,0|2,0,0]=4 1467 B9R0.45 SCCCCOC/C=C/Cl 4ee4661329eea7bb56727b1b161ee4a5 [0,2,0,0,0,0|1,1,0]=4 1468 B9R0.45 SCCCCOC/C=C\Cl 8f7535932d06c7b346539707611655b3 [0,2,0,0,0,0|1,1,0]=4 1469 B9R0.46 C/C=C/CCOC(C)CC 24e3cbba50c85cd72892fd069a4e6975 [0,2,0,0,0,0|1,1,0]=4 1470 B9R0.46 C/C=C/CNCC(C)CC d4d5dbaacaf62c27e0589663078b69f2 [0,2,0,0,0,0|2,0,0]=4 1471 B9R0.46 C/C=C/CNCC(O)CC 676dd859e1bed1d6b1559841efd44ac9 [0,2,0,0,0,0|2,0,0]=4 1472 B9R0.46 C/C=C/CNC[C@@H](C)CC ed0bcb921cd80ed1e80015ece823329d [0,2,0,0,0,0|2,0,0]=4 1473 B9R0.46 C/C=C/CNC[C@H](O)CC 60418180ebe3f0773db3d273757dad39 [0,2,0,0,0,0|2,0,0]=4 1474 B9R0.46 C/C=C/COCC(C)CC 7983f125636e3f3134027fe3de3217cf [0,2,0,0,0,0|1,1,0]=4 1475 B9R0.46 C/C=C/COC[C@@H](C)CC a7d45b26084424e278986d5665db30d0 [0,2,0,0,0,0|1,1,0]=4 1476 B9R0.46 C/C=C/COC[C@H](C)CC f3e6ac5120a70460a4712060145a9b17 [0,2,0,0,0,0|1,1,0]=4 1477 B9R0.46 C/C=C\CNCC(C)CC 25cc0d112a496fa964731ece884df284 [0,2,0,0,0,0|2,0,0]=4 1478 B9R0.46 C/C=C\CNCC(O)CC a702280f2b3ef11e5063cadd15719d1b [0,2,0,0,0,0|2,0,0]=4 1479 B9R0.46 C/C=C\CNC[C@@H](C)CC e0a6cd00a45aea3f165fcd938d60d053 [0,2,0,0,0,0|2,0,0]=4 1480 B9R0.46 C/C=C\CNC[C@H](O)CC 517cfaef023a07fd5d6b7b453b95e181 [0,2,0,0,0,0|2,0,0]=4 1481 B9R0.46 C/C=C\COCC(C)CC a58cfc486dfb3a551da7b3d40002a94b [0,2,0,0,0,0|1,1,0]=4 1482 B9R0.46 C/C=C\COC[C@@H](C)CC 8863250b2c78da53321182b09112c661 [0,2,0,0,0,0|1,1,0]=4 1483 B9R0.46 C/C=C\COC[C@H](C)CC 8e175f6840b70f1066338d3f6915135f [0,2,0,0,0,0|1,1,0]=4 1484 B9R0.46 C=C(C#N)CNCCCC 7302d4651e82c6dda3e6a016dc2fdb5d [0,2,0,0,0,0|2,0,0]=4 1485 B9R0.46 C=C(C#N)COCCCC aa8eb4592546684a2d3a5ab4cd252b4a [0,2,0,0,0,0|1,1,0]=4 1486 B9R0.46 C=C(CC)CNCCCC 6b21372b0fb998f0d545c38b79091fc4 [0,2,0,0,0,0|2,0,0]=4 1487 B9R0.46 C=C(CC)COCCCC f20ffa48a6f681e217485ee3a2e54a80 [0,2,0,0,0,0|1,1,0]=4 1488 B9R0.46 C=C(CNCCCC)OC 9825a980fc85fa770a90f2c807e79cb3 [0,2,0,0,0,0|2,0,0]=4 1489 B9R0.46 C=C(CO)CNCCCC 95db4a3fcbcacbb56c0b0802e017bef0 [0,2,0,0,0,0|2,0,0]=4 1490 B9R0.46 C=C(COCCCC)OC 23a23683e3ff82dc0ce66f5c7735aae5 [0,2,0,0,0,0|1,1,0]=4 1491 B9R0.46 C=C=CCCOC(C)CC c3169cb40e0cdfe11445bb966ccce2c8 [0,2,0,0,0,0|1,1,0]=4 1492 B9R0.46 C=CC(C)COCCCC 608053865d7cfd6e5d03832e4e889079 [0,2,0,0,0,0|1,1,0]=4 1493 B9R0.46 C=CC(C)COCCCF 4aab6ffaea4570d342b849d562957bc0 [0,2,0,0,0,0|1,1,0]=4 1494 B9R0.46 C=CC(C)COCCCS d31ac78b0608269a13137249bda6321a [0,2,0,0,0,0|1,1,0]=4 1495 B9R0.46 C=CC(C)COCCOC fccc4d8fbeebf1b28ffcdcc7509c708c [0,2,0,0,0,0|1,1,0]=4 1496 B9R0.46 C=CC(C)COCCSC 99ab113b54b9cb1afcfef225d5c61a10 [0,2,0,0,0,0|1,1,0]=4 1497 B9R0.46 C=CC(C)COCOCC 7c2a728753e17ddc90e8dd0cae1ca87f [0,2,0,0,0,0|1,1,0]=4 1498 B9R0.46 C=CC(C)NCCCCC e4ef36d1ca81148e5be66a55d1064b7e [0,2,0,0,0,0|2,0,0]=4 1499 B9R0.46 C=CC(C)NCCCCCl f8ef6a10c33417106c6bf25f1dc2b190 [0,2,0,0,0,0|2,0,0]=4 1500 B9R0.46 C=CC(C)NCCCCF fd382de428b8198f301d19d2e6e59127 [0,2,0,0,0,0|2,0,0]=4 1501 B9R0.46 C=CC(C)NCCCCO 4b58e19f068eedec9797ff448a136342 [0,2,0,0,0,0|2,0,0]=4 1502 B9R0.46 C=CC(C)NCCCCS 48e129566518db5c614e274c3a51efb1 [0,2,0,0,0,0|2,0,0]=4 1503 B9R0.46 C=CC(C)NCCCOC d80248ff8c9c0be2ac4cb457695ce857 [0,2,0,0,0,0|2,0,0]=4 1504 B9R0.46 C=CC(C)NCCCSC 3f0fe09a38e853fc002bbfa3ce27364c [0,2,0,0,0,0|2,0,0]=4 1505 B9R0.46 C=CC(C)NCCOCC 705c0d82e23fe8d9e418644176dc5b8c [0,2,0,0,0,0|2,0,0]=4 1506 B9R0.46 C=CC(C)NCCSCC 5659a32cf374c6f9204ec08462faae03 [0,2,0,0,0,0|2,0,0]=4 1507 B9R0.46 C=CC(C)OCCCCC 1e28f1d3c351070f3d11fb5c824849ee [0,2,0,0,0,0|1,1,0]=4 1508 B9R0.46 C=CC(C)OCCCCF 831a7637a9ac2a8eef16a41d14bdec08 [0,2,0,0,0,0|1,1,0]=4 1509 B9R0.46 C=CC(C)OCCCCS 6744c9a4d971ae4c28d178f1c4c4388d [0,2,0,0,0,0|1,1,0]=4 1510 B9R0.46 C=CC(C)OCCCOC ecd19d6847611bb5b922c8b1a0b72e45 [0,2,0,0,0,0|1,1,0]=4 1511 B9R0.46 C=CC(C)OCCCSC 34e0dff602ea77f7e7097a0d00d2243a [0,2,0,0,0,0|1,1,0]=4 1512 B9R0.46 C=CC(C)OCCOCC 803cc5dec1659697a4f3f679ec2def68 [0,2,0,0,0,0|1,1,0]=4 1513 B9R0.46 C=CC(C)OCCSCC b48657873cc1178342989d92c9191ab8 [0,2,0,0,0,0|1,1,0]=4 1514 B9R0.46 C=CC(O)CNCCCC 62bcdd9c10c55126c8e92a97a0820f32 [0,2,0,0,0,0|2,0,0]=4 1515 B9R0.46 C=CC(O)CNCCCF f2f3375fd11a6d38489f7763a9380847 [0,2,0,0,0,0|2,0,0]=4 1516 B9R0.46 C=CC(O)CNCCCO 654c6bf32dd2f01e3597f7e292ad60d3 [0,2,0,0,0,0|2,0,0]=4 1517 B9R0.46 C=CC(O)CNCCCS dc50719dae8f393055d9c046b8925a0b [0,2,0,0,0,0|2,0,0]=4 1518 B9R0.46 C=CC(O)CNCCOC 3132bbe8eeb28193e25821494e5edcc7 [0,2,0,0,0,0|2,0,0]=4 1519 B9R0.46 C=CC(O)CNCCSC 2c79e07a24fb1b114b870dfbcf4fd86e [0,2,0,0,0,0|2,0,0]=4 1520 B9R0.46 C=CC(O)CNCOCC 0468afb911e8c070583eabdf9dfc1cf1 [0,2,0,0,0,0|2,0,0]=4 1521 B9R0.46 C=CCCCCN(C)CC bb712c250fc17a78671543e773bd3068 [0,2,0,0,0,0|2,0,0]=4 1522 B9R0.46 C=CCCCNC(C)CC 42223dd5e5b64b64060777e9f4c40150 [0,2,0,0,0,0|2,0,0]=4 1523 B9R0.46 C=CCCCN[C@@H](C)CC 037d7be40daaf3cc92d2fab932bedffd [0,2,0,0,0,0|2,0,0]=4 1524 B9R0.46 C=CCCCN[C@H](C)CC 70c683919fdfa0aede8ebad77b6f9d53 [0,2,0,0,0,0|2,0,0]=4 1525 B9R0.46 C=CCCCOC(C)CC 37e8ea4b03808467d80b9e9cd385bea1 [0,2,0,0,0,0|1,1,0]=4 1526 B9R0.46 C=CCCCO[C@@H](C)CC abbd602e7f93f4b12023e906c8ad0004 [0,2,0,0,0,0|1,1,0]=4 1527 B9R0.46 C=CCCCO[C@H](C)CC 007e4760c2d7a5023e666e085fdc2f12 [0,2,0,0,0,0|1,1,0]=4 1528 B9R0.46 C=CCCNCC(=C)CC 703afa1dc48e23c2289ed0929df7471e [0,2,0,0,0,0|2,0,0]=4 1529 B9R0.46 C=CCCNCC(=O)CC c68fbb3930ad5b035bc1d80d52096ccd [0,2,0,0,0,0|2,0,0]=4 1530 B9R0.46 C=CCCNCC(Br)CBr c0cbe0912c6896c126778cb3b9e90a7c [0,2,0,0,0,0|2,0,0]=4 1531 B9R0.46 C=CCCNCC(C)C#N a450a7c06cff3b4ca188c45f9e56b8d3 [0,2,0,0,0,0|2,0,0]=4 1532 B9R0.46 C=CCCNCC(C)CC 774510d6074bd83d1ab4d24c1d18de64 [0,2,0,0,0,0|2,0,0]=4 1533 B9R0.46 C=CCCNCC(C)CO 59a0f10eb539571d7d92e3ba78849620 [0,2,0,0,0,0|2,0,0]=4 1534 B9R0.46 C=CCCNCC(C)OC 313220cbaaac8e2c39e40ea76f0aa188 [0,2,0,0,0,0|2,0,0]=4 1535 B9R0.46 C=CCCNCC(F)CO f384944ad27d14fd0e6505f1fef81bb6 [0,2,0,0,0,0|2,0,0]=4 1536 B9R0.46 C=CCCNCC(O)CC a8bf7ce1c29a7e91f0f39f3b2bf163a6 [0,2,0,0,0,0|2,0,0]=4 1537 B9R0.46 C=CCCNCC(O)CF 99d21c934909d3b04d7b76fc0473ba9a [0,2,0,0,0,0|2,0,0]=4 1538 B9R0.46 C=CCCNCC(O)CO 3de528e16a6dd098cc1bb8022a6cc2b3 [0,2,0,0,0,0|2,0,0]=4 1539 B9R0.46 C=CCCNC[C@@H](C)CC bdbe0fbc3e03bb79c9c72d2fb0f5b833 [0,2,0,0,0,0|2,0,0]=4 1540 B9R0.46 C=CCCNC[C@@H](C)CO 65bc39c669943493c2052a19d1598889 [0,2,0,0,0,0|2,0,0]=4 1541 B9R0.46 C=CCCNC[C@@H](C)OC 93e9b558e039d8eddaeffcddd20c011e [0,2,0,0,0,0|2,0,0]=4 1542 B9R0.46 C=CCCNC[C@@H](F)CO 1be66881a028fd8da91b06959d6ce24d [0,2,0,0,0,0|2,0,0]=4 1543 B9R0.46 C=CCCNC[C@@H](O)CO 6a6921457f137e161d35718f5d3a976a [0,2,0,0,0,0|2,0,0]=4 1544 B9R0.46 C=CCCNC[C@H](C)CC f60acee3cd0923166034d018db3ac193 [0,2,0,0,0,0|2,0,0]=4 1545 B9R0.46 C=CCCNC[C@H](C)CO 6a8b4731e833d394fd1c70ac543f4fc9 [0,2,0,0,0,0|2,0,0]=4 1546 B9R0.46 C=CCCNC[C@H](C)OC cb1626c4091f7c4878293db1b81c3daa [0,2,0,0,0,0|2,0,0]=4 1547 B9R0.46 C=CCCNC[C@H](F)CO 571a6b3c833ee50bff15eafb8dead200 [0,2,0,0,0,0|2,0,0]=4 1548 B9R0.46 C=CCCNC[C@H](O)CC a7cbf1ad9da3bae9b3ca12c4c9671d26 [0,2,0,0,0,0|2,0,0]=4 1549 B9R0.46 C=CCCNC[C@H](O)CO f6773d4c0aa7da57606a4b8b9f0482bb [0,2,0,0,0,0|2,0,0]=4 1550 B9R0.46 C=CCCOCC(=C)CC 1adb82f23c591e6fa60c0b0016d60c2a [0,2,0,0,0,0|1,1,0]=4 1551 B9R0.46 C=CCCOCC(=O)CC ba2b6b00a57ae78738067c10e2a29701 [0,2,0,0,0,0|1,1,0]=4 1552 B9R0.46 C=CCCOCC(Br)CBr 7eb7237425f92a220d80dc462157765c [0,2,0,0,0,0|1,1,0]=4 1553 B9R0.46 C=CCCOCC(C)C#N fc2961f4074de2f5a15a89cec017f214 [0,2,0,0,0,0|1,1,0]=4 1554 B9R0.46 C=CCCOCC(C)C=C 028b3545fff814921bb6bb4104daba32 [0,2,0,0,0,0|1,1,0]=4 1555 B9R0.46 C=CCCOCC(C)CC 728ba19dbb1d3147b7b292d82ccd3920 [0,2,0,0,0,0|1,1,0]=4 1556 B9R0.46 C=CCCOCC(C)OC 6bc88718f753e91b653e1d2e53d1bfda [0,2,0,0,0,0|1,1,0]=4 1557 B9R0.46 C=CCCOCC(Cl)CCl 8dcdb105b447f0102716a720d49216c7 [0,2,0,0,0,0|1,1,0]=4 1558 B9R0.46 C=CCCOCC(O)CO 8204739759beac8622d0d9448f1526e8 [0,2,0,0,0,0|1,1,0]=4 1559 B9R0.46 C=CCCOCC(S)CS 2e9361e06c117d0c38f16091645a0d75 [0,2,0,0,0,0|1,1,0]=4 1560 B9R0.46 C=CCCOC[C@@H](C)CC 5e502b4f62f3acf0ba191253c86c3c22 [0,2,0,0,0,0|1,1,0]=4 1561 B9R0.46 C=CCCOC[C@@H](C)OC 269bed4af0ba253b5b1cdb3c6384a32c [0,2,0,0,0,0|1,1,0]=4 1562 B9R0.46 C=CCCOC[C@@H](O)CO 8dcbdfc30edf48001c0dbf53ae3cbfb6 [0,2,0,0,0,0|1,1,0]=4 1563 B9R0.46 C=CCCOC[C@H](C)CC 0fa4e329561f6df162ea8c2a70c22a75 [0,2,0,0,0,0|1,1,0]=4 1564 B9R0.46 C=CCCOC[C@H](C)OC 24c0b48792b33633a1719e6b5607e43b [0,2,0,0,0,0|1,1,0]=4 1565 B9R0.46 C=CCCOC[C@H](O)CO 8f1e6eb83ec0e72ef9e4bc7503f0e44a [0,2,0,0,0,0|1,1,0]=4 1566 B9R0.46 C=CCNCCC(C)CC b228c852ce6d3939ccc4101ea5c92dfd [0,2,0,0,0,0|2,0,0]=4 1567 B9R0.46 C=CCNCCC(C)CO 4c7e24b6e21ede9417d446f5e7e56797 [0,2,0,0,0,0|2,0,0]=4 1568 B9R0.46 C=CCNCCC(O)CO 247c413146267467d62da9c163ee43c3 [0,2,0,0,0,0|2,0,0]=4 1569 B9R0.46 C=CCNCC[C@@H](C)CO 5ef62e2aa423d31cf74861f1118c5888 [0,2,0,0,0,0|2,0,0]=4 1570 B9R0.46 C=CCOCCC(C)CC 5e8e7402f2d49a682e79b096ff9fa744 [0,2,0,0,0,0|1,1,0]=4 1571 B9R0.46 C=CCOCCC(C)OC 17ccd11502650aa1e18fb6f1b1117c16 [0,2,0,0,0,0|1,1,0]=4 1572 B9R0.46 C=CCOCCC(S)CC 3aaf6c4216be2cdc4f1bfe59ac8192de [0,2,0,0,0,0|1,1,0]=4 1573 B9R0.46 C=CCOCCN(C)CC 4772de34b82bee4d3162335bafcae8ba [0,2,0,0,0,0|1,1,0]=4 1574 B9R0.46 C=CCOCC[C@@H](C)CC b8130feedf60b4d66e54966082720777 [0,2,0,0,0,0|1,1,0]=4 1575 B9R0.46 C=COCCNC(C)CC 96268375baa943486c5bcb44f6e7b72c [0,2,0,0,0,0|2,0,0]=4 1576 B9R0.46 C=COCCOC(C)CC 2985a6aa5e711a9babef791b93b4a616 [0,2,0,0,0,0|1,1,0]=4 1577 B9R0.46 C=C[C@H](C)OCCCCC d1676930d2cd78672945fe179ff4da42 [0,2,0,0,0,0|1,1,0]=4 1578 B9R0.46 C=C[C@H](C)OCCCCF fbc99a9a32269eef1bd04ea9970dd449 [0,2,0,0,0,0|1,1,0]=4 1579 B9R0.46 C=C[C@H](C)OCCCOC 5d7b9c6dc5415bccf25660fe187912b2 [0,2,0,0,0,0|1,1,0]=4 1580 B9R0.46 C=C[C@H](C)OCCCSC d28beb0c5346fa035f5b3271a8f16573 [0,2,0,0,0,0|1,1,0]=4 1581 B9R0.46 C=C[C@H](C)OCCOCC adfac0360c62b67882d03683c422af6b [0,2,0,0,0,0|1,1,0]=4 1582 B9R0.46 C=C[C@H](C)OCCSCC 5081e180462a4353644ccae5db612617 [0,2,0,0,0,0|1,1,0]=4 1583 B9R0.46 CC=CCNCC(C)CC 9c87500612fca06154d933df788b065a [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.46 CC=CCNCC(O)CC 3513fefb41db3ad3d01c2987367a57c9 [0,2,0,0,0,0|2,0,0]=4 1585 B9R0.46 CC=CCNC[C@@H](C)CC 3275d6e4b404b0a81074ef2124415f1f [0,2,0,0,0,0|2,0,0]=4 1586 B9R0.46 CC=CCNC[C@H](C)CC 4266c0f3d7696418f2a6d10d8367386b [0,2,0,0,0,0|2,0,0]=4 1587 B9R0.46 CC=CCOCC(C)CC 54a8e7b67155f645d507d976db8ce0d7 [0,2,0,0,0,0|1,1,0]=4 1588 B9R0.46 CC=CCOC[C@@H](C)CC 1b785dc16224333719989c0003bbb241 [0,2,0,0,0,0|1,1,0]=4 1589 B9R0.46 CC=CCOC[C@H](C)CC 07d92da8bda03e61cbfea2e10c746589 [0,2,0,0,0,0|1,1,0]=4 1590 B9R0.46 CCC(C)CNC/C=C/Cl 7411d8efc8a91e3ab1e81c205635b2b1 [0,2,0,0,0,0|2,0,0]=4 1591 B9R0.46 CCC(C)CNC/C=C\Cl 254cfb8456ce7a92df64b73075a21c90 [0,2,0,0,0,0|2,0,0]=4 1592 B9R0.46 CCC(C)CNC/C=C\O 90bd54a66986bb6bce0703b366636de2 [0,2,0,0,0,0|2,0,0]=4 1593 B9R0.46 CCC(C)COC/C=C/Cl c8af0cde193c02b5733c96b48e410610 [0,2,0,0,0,0|1,1,0]=4 1594 B9R0.46 CCC(C)COC/C=C\Cl 268b995fc8a60c05e16ff8fea78fe780 [0,2,0,0,0,0|1,1,0]=4 1595 B9R0.46 CCC(C)COCC=CCl 4c3117a043087954d61d1693e655a7f5 [0,2,0,0,0,0|1,1,0]=4 1596 B9R0.46 CCC(O)CNC/C=C/Cl 1b746e22e3947c5f6ed7c9b0db3398ce [0,2,0,0,0,0|2,0,0]=4 1597 B9R0.46 CCC(O)CNC/C=C\Cl 3e697878a063f2d1812dcf0a273460f7 [0,2,0,0,0,0|2,0,0]=4 1598 B9R0.46 CCC(O)CNC/C=C\O 5486a19119aec4202bff499e11ea5364 [0,2,0,0,0,0|2,0,0]=4 1599 B9R0.46 CCCCNC/C(=C/Cl)/Cl 0d680ba256822cfdaae23913bca8ee4c [0,2,0,0,0,0|2,0,0]=4 1600 B9R0.46 CCCCOC/C(=C/Cl)/Cl 1cf0ffa034e56f45def6de04f86cf1ce [0,2,0,0,0,0|1,1,0]=4 1601 B9R0.46 CCCCOC/C(=C/I)/C 134f408ad86b4fa216de6242485f53ce [0,2,0,0,0,0|1,1,0]=4 1602 B9R0.46 CCCCOCC(=CI)C 92bbc597016e9492eb2cbf4ef70e5f3e [0,2,0,0,0,0|1,1,0]=4 1603 B9R0.46 CC[C@@H](C)COC/C=C/Cl 22bd3cb93cda0cb40bf7171fc5d01e6f [0,2,0,0,0,0|1,1,0]=4 1604 B9R0.46 CC[C@@H](C)COC/C=C\Cl d149c0bbf57f50950cecc44bc65b79eb [0,2,0,0,0,0|1,1,0]=4 1605 B9R0.46 CC[C@@H](C)COCC=CCl adc83f3be4c923d6587ba77ecdebfaa7 [0,2,0,0,0,0|1,1,0]=4 1606 B9R0.46 CC[C@@H](O)CNC/C=C/Cl b68925a3dbf9e900d1ef6d9be10f0621 [0,2,0,0,0,0|2,0,0]=4 1607 B9R0.46 CC[C@@H](O)CNC/C=C\Cl 6ca84567ad058739afe72649f9cd6ac2 [0,2,0,0,0,0|2,0,0]=4 1608 B9R0.46 CC[C@@H](O)CNC/C=C\O 69b8df0c26033788f9408bbecd65cb25 [0,2,0,0,0,0|2,0,0]=4 1609 B9R0.46 CC[C@H](C)CNC/C=C/Cl 87066a2046ae89c71525543acb04a18f [0,2,0,0,0,0|2,0,0]=4 1610 B9R0.46 CC[C@H](C)CNC/C=C\Cl 419dc1d4312a04796d51ebef01e610c8 [0,2,0,0,0,0|2,0,0]=4 1611 B9R0.46 CC[C@H](C)CNC/C=C\O 55fce6d0bf68eea0a0fb8506f2d646b0 [0,2,0,0,0,0|2,0,0]=4 1612 B9R0.46 CC[C@H](C)COC/C=C/Cl a29b4e087cb57078248b2c521aa56a50 [0,2,0,0,0,0|1,1,0]=4 1613 B9R0.46 CC[C@H](C)COC/C=C\Cl b3b1404689672818eca48392b783a449 [0,2,0,0,0,0|1,1,0]=4 1614 B9R0.46 CC[C@H](C)COCC=CCl 78cfe3a5e25160a63b76fae01962cff6 [0,2,0,0,0,0|1,1,0]=4 1615 B9R0.1 C=C(Br)CCOC(C)CC 091e084d3b6d1f82050c012325f204dd [0,2,0,0,0,0|1,1,0]=4 1616 B9R0.1 C=C(Br)CNCC(C)CC 981fc4bb74e598a40b1ff531d96d951a [0,2,0,0,0,0|2,0,0]=4 1617 B9R0.1 C=C(Br)CNCC(O)CC 4ff49eefc5d4f3344b24078b5812fb6a [0,2,0,0,0,0|2,0,0]=4 1618 B9R0.1 C=C(Br)CNC[C@@H](C)CC 3d05347509c6f7b0b8ea2128766d5683 [0,2,0,0,0,0|2,0,0]=4 1619 B9R0.1 C=C(Br)CNC[C@H](C)CC 482805fb21b45b39bbaeb88c7242fa36 [0,2,0,0,0,0|2,0,0]=4 1620 B9R0.1 C=C(Br)CNC[C@H](O)CC 7dc2f15a196901a81c904fc965862947 [0,2,0,0,0,0|2,0,0]=4 1621 B9R0.1 C=C(Br)COCC(C)CC e3c93140f7f9139cbd63ce3d8b91006f [0,2,0,0,0,0|1,1,0]=4 1622 B9R0.1 C=C(Br)COC[C@@H](C)CC 80766ee122c1e21cd3669d6da61c1402 [0,2,0,0,0,0|1,1,0]=4 1623 B9R0.1 C=C(Br)COC[C@H](C)CC 30d0d8ee9b254c321f85f05ca5650727 [0,2,0,0,0,0|1,1,0]=4 1624 B9R0.1 C=C(C)CCNC(C)CC 3e59254196aed313540af75c07c39315 [0,2,0,0,0,0|2,0,0]=4 1625 B9R0.1 C=C(C)CCN[C@@H](C)CC dd5db3d0315db4cd17c73027333e9aec [0,2,0,0,0,0|2,0,0]=4 1626 B9R0.1 C=C(C)CCN[C@H](C)CC 17f8689567b0cd30665489930711fefc [0,2,0,0,0,0|2,0,0]=4 1627 B9R0.1 C=C(C)CCOC(C)CC c1ab39b33b060b66872a7a99cb42b49c [0,2,0,0,0,0|1,1,0]=4 1628 B9R0.1 C=C(C)CCO[C@@H](C)CC 1a113e19745c74a32b97d0777a65f856 [0,2,0,0,0,0|1,1,0]=4 1629 B9R0.1 C=C(C)CCO[C@H](C)CC 10f668905abfc9df65d3d95b2b060ce8 [0,2,0,0,0,0|1,1,0]=4 1630 B9R0.1 C=C(C)CNCC(C)CC d4f1c6767e155a1fd81f2d6f4b177c23 [0,2,0,0,0,0|2,0,0]=4 1631 B9R0.1 C=C(C)CNCC(O)CC 2ee1dafbd05c8cf3866bf3e2ab88c344 [0,2,0,0,0,0|2,0,0]=4 1632 B9R0.1 C=C(C)CNC[C@@H](C)CC 6206249324b67e9f83a35f5c528b1179 [0,2,0,0,0,0|2,0,0]=4 1633 B9R0.1 C=C(C)CNC[C@H](C)CC cb261ab2a6f6774f97476ebf10cee194 [0,2,0,0,0,0|2,0,0]=4 1634 B9R0.1 C=C(C)CNC[C@H](O)CC 1cd546e36201607a149497a9372ee6f8 [0,2,0,0,0,0|2,0,0]=4 1635 B9R0.1 C=C(C)COCC(C)CC 3adee05156cf1068a7c305dcd2622cc9 [0,2,0,0,0,0|1,1,0]=4 1636 B9R0.1 C=C(C)COC[C@@H](C)CC a9f511de537b539852049654668eb445 [0,2,0,0,0,0|1,1,0]=4 1637 B9R0.1 C=C(C)COC[C@H](C)CC 7d2830ec8db581fdaca9ec3884531144 [0,2,0,0,0,0|1,1,0]=4 1638 B9R0.1 C=C(Cl)CNCC(C)CC 11c5950a5d91f0f0029477709543a1de [0,2,0,0,0,0|2,0,0]=4 1639 B9R0.1 C=C(Cl)CNCC(O)CC 4e40f748e99914c62c6cfa1d268f6630 [0,2,0,0,0,0|2,0,0]=4 1640 B9R0.1 C=C(Cl)CNC[C@@H](C)CC 98cafe9df3b2af14b613988adbe5a405 [0,2,0,0,0,0|2,0,0]=4 1641 B9R0.1 C=C(Cl)CNC[C@H](O)CC 0c80e6f43c1c8832aa2b0c526e0eec42 [0,2,0,0,0,0|2,0,0]=4 1642 B9R0.1 C=C(Cl)COCC(C)CC 8e12aa49282ca4c7aa5e587f6776b5d0 [0,2,0,0,0,0|1,1,0]=4 1643 B9R0.1 C=C(Cl)COC[C@@H](C)CC d6c8c8ec8af5460477d1adf7526bd82b [0,2,0,0,0,0|1,1,0]=4 1644 B9R0.1 C=C(Cl)COC[C@H](C)CC 26b9477bafe654353a35ccf76484b54b [0,2,0,0,0,0|1,1,0]=4 1645 B9R0.1 C=C(F)CNCC(O)CC 19f94b65ebce91b585fa671cbe47e1be [0,2,0,0,0,0|2,0,0]=4 1646 B9R0.1 C=C(F)CNC[C@H](O)CC 969b2119df1cb966d40e8d5da028c640 [0,2,0,0,0,0|2,0,0]=4 1647 B9R0.1 C=C(F)COCC(C)CC e971ce5b3a2f222771833358944ad7b1 [0,2,0,0,0,0|1,1,0]=4 1648 B9R0.1 C=C(F)COC[C@@H](C)CC 8754031d741b3a81e01246240a2af29d [0,2,0,0,0,0|1,1,0]=4 1649 B9R0.1 C=C(F)COC[C@H](C)CC 053b257de75e3ab9fbda44f561cf7b93 [0,2,0,0,0,0|1,1,0]=4 1650 B9R0.1 C=C(I)COCC(C)CC 6a37480b984d6a3a88d2a97c430f900f [0,2,0,0,0,0|1,1,0]=4 1651 B9R0.1 C=C(I)COC[C@@H](C)CC ebcd6aead02ff5da05d6692ec4f20a14 [0,2,0,0,0,0|1,1,0]=4 1652 B9R0.1 C=C(I)COC[C@H](C)CC 7cecb5a281b9320016babbf18a636c32 [0,2,0,0,0,0|1,1,0]=4 1653 B9R0.1 C=CC(C)COCC(C)C e0135e03dc1f6256c2c2c3edfa52760f [0,2,0,0,0,0|1,1,0]=4 1654 B9R0.1 C=CC(C)NCCC(C)C 20ba7a01acd10720940a856f95313f84 [0,2,0,0,0,0|2,0,0]=4 1655 B9R0.1 C=CC(C)NCCC(C)O d01f29e8014795af299f102771cf2b60 [0,2,0,0,0,0|2,0,0]=4 1656 B9R0.1 C=CC(C)NCC[C@@H](C)O 544a1897e226f54a3ec3b9e01803177e [0,2,0,0,0,0|2,0,0]=4 1657 B9R0.1 C=CC(C)NCC[C@H](C)O ef01d9050b04a036fcbd14fbcccd41ca [0,2,0,0,0,0|2,0,0]=4 1658 B9R0.1 C=CC(C)OCCC(C)C e46c6d9ac740df5977e8822742859261 [0,2,0,0,0,0|1,1,0]=4 1659 B9R0.1 C=CC(O)CNCC(C)C 338aa8c924f06c5274d86ba17f3164dd [0,2,0,0,0,0|2,0,0]=4 1660 B9R0.1 C=CC(O)CNCC(C)O 250a0738f8893561fa0bf4fc306ff879 [0,2,0,0,0,0|2,0,0]=4 1661 B9R0.1 C=CC(O)CNC[C@@H](C)O 4d3bcd699d7f87e5cad2ea1a194fcd40 [0,2,0,0,0,0|2,0,0]=4 1662 B9R0.1 C=CC(O)CNC[C@H](C)O 265c36358ddc06b7112a1d4489e2ca2a [0,2,0,0,0,0|2,0,0]=4 1663 B9R0.1 C=C[C@H](C)OCCC(C)C 1851092b6455955b808276d41966666f [0,2,0,0,0,0|1,1,0]=4 1664 B9R0.20 C=CC(C)(C)COCCC 2f45c6229ebf814a2fddeb8a9b5939eb [0,2,0,0,0,0|1,1,0]=4 1665 B9R0.20 C=CCCNC(C)(C)CC 04d2e4ea2bff848d2e6a0111fa120ca3 [0,2,0,0,0,0|2,0,0]=4 1666 B9R0.20 C=CCNCC(C)(C)CC 894efcca7a1b80b1410974d3b7567456 [0,2,0,0,0,0|2,0,0]=4 1667 B9R0.20 C=CCNCC(C)(O)CC 85e19c6eb3153f94aab41246b5b25160 [0,2,0,0,0,0|2,0,0]=4 1668 B9R0.20 C=CCOCC(F)(F)CC c2e69ccd31c40ba1c039f07585daed73 [0,2,0,0,0,0|1,1,0]=4 1669 B9R0.24 C=CC(C)COC(C)CC c32ca32440c49b307844964bfdcec3fa [0,2,0,0,0,0|1,1,0]=4 1670 B9R0.24 C=CC(C)NCC(C)CC fe20f45bf5882573a1b68362b8df28de [0,2,0,0,0,0|2,0,0]=4 1671 B9R0.24 C=CC(C)NCC(O)CC a3157a78d0b905ffdee15eb5e168e14f [0,2,0,0,0,0|2,0,0]=4 1672 B9R0.24 C=CC(C)NC[C@@H](C)CC 1e5ccb0fec6029df124fd456ac8e5632 [0,2,0,0,0,0|2,0,0]=4 1673 B9R0.24 C=CC(C)NC[C@H](C)CC 55f054a49b84e81d49b74ebb57f3dee7 [0,2,0,0,0,0|2,0,0]=4 1674 B9R0.24 C=CC(C)NC[C@H](O)CC 130b04f932ad35c738618afb02c8211d [0,2,0,0,0,0|2,0,0]=4 1675 B9R0.24 C=CC(C)OCC(C)CC c0add65e24b120c78bb757c80b1b366f [0,2,0,0,0,0|1,1,0]=4 1676 B9R0.24 C=CC(C)OC[C@@H](C)CC 3dc28a974ae3b1da4f51caa8bfd19440 [0,2,0,0,0,0|1,1,0]=4 1677 B9R0.24 C=CC(C)OC[C@H](C)CC 18159e56f1b5e572330dc73ac44537ff [0,2,0,0,0,0|1,1,0]=4 1678 B9R0.24 C=CC(O)CNC(C)CC ea5dbe4f19a0c85d30995687d6fda584 [0,2,0,0,0,0|2,0,0]=4 1679 B9R0.24 C=C[C@H](C)OCC(C)CC d4fdd930238282ead953f9eb3cededa9 [0,2,0,0,0,0|1,1,0]=4 1680 B9R0.24 C=C[C@H](C)OC[C@@H](C)CC 2b01f611d24ae49c477ec5e85877646d [0,2,0,0,0,0|1,1,0]=4 1681 B9R0.24 C=C[C@H](C)OC[C@H](C)CC 327108a7f2c061e40667dd59884d1895 [0,2,0,0,0,0|1,1,0]=4 1682 B9R0.47 C=C(I)[C@H](C)CNCCC cfce1aff3b51edb52ecbc394f78b09b0 [0,2,0,0,0,0|2,0,0]=4 1683 B9R0.47 C=C(I)[C@H](C)COCCC 7ccc91e89ed0d92904c3b8e98bbd8d5a [0,2,0,0,0,0|1,1,0]=4 1684 B9R0.47 C=CCCNC(C)C(C)C 4482061d30dc649af0ecdec4f36d2f05 [0,2,0,0,0,0|2,0,0]=4 1685 B9R0.47 C=CCCNC(C)C(C)O 2d673805b2d3f40269605e567195322e [0,2,0,0,0,0|2,0,0]=4 1686 B9R0.47 C=CCCN[C@@H](C)C(C)C 86be0231371114689e03e2f7bddf99a5 [0,2,0,0,0,0|2,0,0]=4 1687 B9R0.47 C=CCCN[C@H](C)C(C)C 155e1797fa9493470fda7571c06ffead [0,2,0,0,0,0|2,0,0]=4 1688 B9R0.47 C=CCCOC(C)C(C)C 426e0e1a6826fc00ca75f9f91f83b0b7 [0,2,0,0,0,0|1,1,0]=4 1689 B9R0.47 C=CCCOC(C)C(C)S 6ee9b6837c935e9737dfd2c6a0edc497 [0,2,0,0,0,0|1,1,0]=4 1690 B9R0.47 C=CCCO[C@@H](C)C(C)C c40e1d1458f65f831309547cffb325eb [0,2,0,0,0,0|1,1,0]=4 1691 B9R0.47 C=CCCO[C@H](C)C(C)C a5d4d7af3fdecd6ceabc4083b9395429 [0,2,0,0,0,0|1,1,0]=4 1692 B9R0.47 C=CCNCC(O)C(C)C 917f9b5fcae3a52465066cfd51edfd73 [0,2,0,0,0,0|2,0,0]=4 1693 B9R0.47 C=CCOCC(C)C(C)C f4d22548036e3b6d61a129c9e001dfda [0,2,0,0,0,0|1,1,0]=4 1694 B9R0.50 C#CC(C=C)OCCCC 6aa5cee7815f4f11200d208342bd1db0 [0,2,0,0,0,0|1,1,0]=4 1695 B9R0.50 C#CC(CC)OCCC=C 675c29241bd639fda73b2e6f92f054e2 [0,2,0,0,0,0|1,1,0]=4 1696 B9R0.50 C=CC(C=C)OCCCC ab7cd24288c143103860d36be86b3b7a [0,2,0,0,0,0|1,1,0]=4 1697 B9R0.50 C=CC(CC)OCCCC c4ab6fc8dfc087891ae2542a53a4d2d9 [0,2,0,0,0,0|1,1,0]=4 1698 B9R0.50 C=CCCNC(C=O)CC 88fb7fc74d4ffa1dd95483cbe964fddc [0,2,0,0,0,0|2,0,0]=4 1699 B9R0.50 C=CCCNC(CC)CC 06c0104cd102cc1579a8b2ddf37724c6 [0,2,0,0,0,0|2,0,0]=4 1700 B9R0.50 C=CCCNC(CC)CO 19c4423fc0d0ab7608a7c0639325da73 [0,2,0,0,0,0|2,0,0]=4 1701 B9R0.50 C=CCCN[C@@H](CC)CO dc12191708b6e93f4128b7d14199bbb0 [0,2,0,0,0,0|2,0,0]=4 1702 B9R0.50 C=CCCN[C@H](CC)CO 517c7305f2d2c33d915740c9c989fb30 [0,2,0,0,0,0|2,0,0]=4 1703 B9R0.50 C=CCCOC(C#N)CC a2d7267ad8e1d8daf4349899349be219 [0,2,0,0,0,0|1,1,0]=4 1704 B9R0.50 C=CCCOC(C=C)CC bd98f31ef6862176b7c2a613eca8231b [0,2,0,0,0,0|1,1,0]=4 1705 B9R0.50 C=CCCOC(C=O)CC bb56ab03b94fb70c2ef5fecf3acee9ba [0,2,0,0,0,0|1,1,0]=4 1706 B9R0.50 C=CCCOC(CC)CC 7846276a380e5727e38384b1117dad76 [0,2,0,0,0,0|1,1,0]=4 1707 B9R0.50 C=CCNCC(CC)CC 0575799fa26f55e4077f75b9482782c5 [0,2,0,0,0,0|2,0,0]=4 1708 B9R0.50 C=CCNCC(CC)CO 0b8ae003389ba7786a3533c7496696b3 [0,2,0,0,0,0|2,0,0]=4 1709 B9R0.50 C=CCOCC(CC)CC 758b74ff931dbc6b07e614ed0b7daad2 [0,2,0,0,0,0|1,1,0]=4 1710 B9R0.50 C=CCOCC(CC)OC 7ff7ef784f504d3038f821cefe03570d [0,2,0,0,0,0|1,1,0]=4 1711 B9R0.50 C=C[C@@H](CO)NCCCC 78ae346201d1dc8c2a1c0e27f5d81a49 [0,2,0,0,0,0|2,0,0]=4 1712 B9R0.38 C=CCCNCC(C)(C)C ff456b993fe4edb478601899d4616284 [0,2,0,0,0,0|2,0,0]=4 1713 B9R0.38 C=CCCNCC(C)(C)F 844959c673db7ccf40c9317257bffe84 [0,2,0,0,0,0|2,0,0]=4 1714 B9R0.38 C=CCCNCC(C)(C)O 1085ac3801c63ddae4fe15cec1ce9da0 [0,2,0,0,0,0|2,0,0]=4 1715 B9R0.38 C=CCCNCC(C)(F)F f2d8dadfc7e116c2ed83df77ec9a735a [0,2,0,0,0,0|2,0,0]=4 1716 B9R0.38 C=CCCOCC(C)(C)Br 326bc28efbb6b90a29ed13baeffa5860 [0,2,0,0,0,0|1,1,0]=4 1717 B9R0.38 C=CCCOCC(C)(C)C a421c7a43cf529cdda4ff05cefa9bf31 [0,2,0,0,0,0|1,1,0]=4 1718 B9R0.38 C=CCCOCC(C)(C)F 125bd46159a0d33cfd757d329f55e73d [0,2,0,0,0,0|1,1,0]=4 1719 B9R0.38 C=CCCOCC(C)(C)O 84d5dbc9d4436844382e56fa064e5adf [0,2,0,0,0,0|1,1,0]=4 1720 B9R0.38 C=CCCOCC(C)(C)S 94a9acb3f485ac749c07ddc7c1a8b51e [0,2,0,0,0,0|1,1,0]=4 1721 B9R0.38 C=CCCOCC(C)(F)F c71a3f4e4e5c81666cb6b5169eefbb4e [0,2,0,0,0,0|1,1,0]=4 1722 B9R0.38 C=CCNCCC(C)(C)C bd175b55aaa7303b6dba9363278df148 [0,2,0,0,0,0|2,0,0]=4 1723 B9R0.38 C=CCNCCC(C)(C)F 682f678cbc3539481266b8b5753dee8a [0,2,0,0,0,0|2,0,0]=4 1724 B9R0.38 C=CCNCCC(C)(C)O 830b73d0a057b8f2c4d319d4c2f4b4cb [0,2,0,0,0,0|2,0,0]=4 1725 B9R0.38 C=CCOCCC(C)(C)C 5c21b38c90880fba75ee0385d797226f [0,2,0,0,0,0|1,1,0]=4 1726 B9R0.38 C=CCOCCC(C)(C)S eafa2430be3aca9e8cdc10b78896973c [0,2,0,0,0,0|1,1,0]=4 1727 B9R0.38 C=CCOCCC(C)(F)F 0073c11f26503c3e9cd5e0e9814b9efe [0,2,0,0,0,0|1,1,0]=4 1728 B9R0.55 C=C(Br)CCOCC(C)C bd506f21a7f72d5859e3a046f578eee7 [0,2,0,0,0,0|1,1,0]=4 1729 B9R0.55 C=C(Br)CNCCC(C)C 25faa38740f983e4433d01766e8730f0 [0,2,0,0,0,0|2,0,0]=4 1730 B9R0.55 C=C(Br)CNCCC(C)O 91af8dd0401975879c8998d15c157469 [0,2,0,0,0,0|2,0,0]=4 1731 B9R0.55 C=C(Br)CNCC[C@@H](C)O b9cc5d3b8036f95bd12f09f0dde3d090 [0,2,0,0,0,0|2,0,0]=4 1732 B9R0.55 C=C(Br)CNCC[C@H](C)O c096af31239e0585a936c962dc960988 [0,2,0,0,0,0|2,0,0]=4 1733 B9R0.55 C=C(Br)COCCC(C)C eb57bb67c29ca003cfbfe10e0d6cc658 [0,2,0,0,0,0|1,1,0]=4 1734 B9R0.55 C=C(C)CCNCC(C)C cc94ef4ed5c8b5b4cc520b0e1a82b61a [0,2,0,0,0,0|2,0,0]=4 1735 B9R0.55 C=C(C)CCNCC(C)O 5ad2e9e1a5c9ea7b0b89317480f5a251 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.55 C=C(C)CCNC[C@@H](C)O 9d8c1d53de838d5a486c2b6cc129a0b1 [0,2,0,0,0,0|2,0,0]=4 1737 B9R0.55 C=C(C)CCNC[C@H](C)O b836500d37ce2e2e056f45188ca62270 [0,2,0,0,0,0|2,0,0]=4 1738 B9R0.55 C=C(C)CCOCC(C)C ad250d1d2648365b7a9d4d37d3b8ebac [0,2,0,0,0,0|1,1,0]=4 1739 B9R0.55 C=C(C)CCOCC(C)F dfb385884a8d67b76dbde5dc6fcd3346 [0,2,0,0,0,0|1,1,0]=4 1740 B9R0.55 C=C(C)CCOCC(C)S 578fed4954aa8c092a2989944449a2bc [0,2,0,0,0,0|1,1,0]=4 1741 B9R0.55 C=C(C)CCOC[C@@H](C)F 6f41035d36a8a861e4faca241d4bb666 [0,2,0,0,0,0|1,1,0]=4 1742 B9R0.55 C=C(C)CCOC[C@H](C)F 89e3b001f0f0fb7f3f952a33f6471dfa [0,2,0,0,0,0|1,1,0]=4 1743 B9R0.55 C=C(C)CNCCC(C)C e511ee812ae62864d0d56d9a869f810c [0,2,0,0,0,0|2,0,0]=4 1744 B9R0.55 C=C(C)CNCCC(C)O 1e26bb030bd5403aaa661d90f5bd3321 [0,2,0,0,0,0|2,0,0]=4 1745 B9R0.55 C=C(C)CNCC[C@@H](C)O 5247a41986a2db39b43651346a2a353c [0,2,0,0,0,0|2,0,0]=4 1746 B9R0.55 C=C(C)CNCC[C@H](C)O ee20120b0714c7bf76bcbec6645c4af1 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.55 C=C(C)COCCC(C)C 18ecd9b546cd72b4cef7ebec434c3dfb [0,2,0,0,0,0|1,1,0]=4 1748 B9R0.55 C=C(Cl)CNCCC(C)C 71740294c3215a86f0737f5777a9f7d8 [0,2,0,0,0,0|2,0,0]=4 1749 B9R0.55 C=C(Cl)CNCCC(C)O 2fd3b4da6316772d93c37fee38aed8a7 [0,2,0,0,0,0|2,0,0]=4 1750 B9R0.55 C=C(Cl)CNCC[C@@H](C)O 9a6bacacd1e585ba985b02d1dc7c1fac [0,2,0,0,0,0|2,0,0]=4 1751 B9R0.55 C=C(Cl)CNCC[C@H](C)O 8f9b231c23502c54bd1e89c8b729a830 [0,2,0,0,0,0|2,0,0]=4 1752 B9R0.55 C=C(Cl)COCCC(C)C f059c2da9c42ad918ad68c2e368224c5 [0,2,0,0,0,0|1,1,0]=4 1753 B9R0.55 C=C(F)CNCCC(C)C 0ef24ecaec3e679ffe7ec565dcd9dca9 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.55 C=C(F)CNCCC(C)O 824274172e871934ac6b7de0e3d2e5c4 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.55 C=C(F)CNCC[C@@H](C)O 6ecd47a92a61ca929abea0eb44132f9b [0,2,0,0,0,0|2,0,0]=4 1756 B9R0.55 C=C(F)CNCC[C@H](C)O e22fa5240841a0a02198c3c6bd3bf58f [0,2,0,0,0,0|2,0,0]=4 1757 B9R0.55 C=C(F)COCCC(C)C d1a2858e4daab1776673df42b8ace619 [0,2,0,0,0,0|1,1,0]=4 1758 B9R0.55 C=C(I)COCCC(C)C 2b8f560dfc1e9d856eb0f41151625be8 [0,2,0,0,0,0|1,1,0]=4 1759 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [1,0,0,1,0,0|1,0,0]=3 1760 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [1,0,0,1,0,0|2,0,0]=4 1761 B7R1.7 C=CCNC1CC1 3f9b6ba489361afb59ec73915e7e75b8 [1,0,0,1,0,0|1,0,0]=3 1762 B7R1.7 C=CCOC1CC1 e9d2d1f50ca09419f38c26ddd9fe852c [1,0,0,1,0,0|0,1,0]=3 1763 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [1,0,0,1,0,0|2,0,0]=4 1764 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [1,0,0,1,0,0|1,1,0]=4 1765 B9R1.7 C=CCN1CCC(C1)C 02824cd28809d0a4e9b65245a31c044f [0,1,0,1,0,0|2,0,0]=4 1766 B9R1.7 C=CCN1CCC(C1)F 18778a958ab3dd4e4cfc38dee403e7e6 [0,1,0,1,0,0|2,0,0]=4 1767 B9R1.7 C=CCN1CCC(C1)O 90d77348644f7575f052a1424868013e [0,1,0,1,0,0|2,0,0]=4 1768 B9R1.7 C=CCN1CC[C@@H](C1)F 757a148cd5bb60d28a2c296c60919a4e [0,1,0,1,0,0|2,0,0]=4 1769 B9R1.7 C=CCN1CC[C@@H](C1)O 6f0bbc6d3d616e7aef28e5899b9e2800 [0,1,0,1,0,0|2,0,0]=4 1770 B9R1.7 C=CCN1CC[C@H](C1)F d32695b4822970352b5ece9306a63a6e [0,1,0,1,0,0|2,0,0]=4 1771 B9R1.7 C=CCN1CC[C@H](C1)O 52e5c7b77cb74eeec19b0f8f1f022091 [0,1,0,1,0,0|2,0,0]=4 1772 B9R1.8 C=CCN1CCCOC1 0d94609b61d76367df1116c2c47084db [0,1,0,1,0,0|1,1,0]=4 1773 B9R1.8 C=CCN1CCCSC1 2ce38f48adbaa4615b27a1536d50f38d [0,1,0,1,0,0|1,0,0]=3 1774 B9R1.8 C=CCN1CCOCC1 5e12b1389a0bfa406f9fef1b3c7d6b72 [0,1,0,1,0,0|2,0,0]=4 1775 B9R1.8 C=CCN1CCSCC1 f86f272d1730823b17a2fdbeebc0cfe0 [0,1,0,1,0,0|2,0,0]=4 1776 B9R1.8 CCCN1CC=CCC1 b2b2bdd1f884fc798a7998521a87c745 [0,1,0,1,0,0|2,0,0]=4 1777 B9R1.8 CCNC1C=CCCC1 381b66b498fdea5c28ca09d8304c5d3a [0,1,0,1,0,0|2,0,0]=4 1778 B9R1.8 CCOC1C=CCCC1 7b09c8f3de0d6e6b8ab9978bfcb2c07e [0,1,0,1,0,0|2,0,0]=4 1779 B9R1.8 O=CCN1CCCSC1 c444ef249aa1c28412dad52581423289 [0,1,0,1,0,0|2,0,0]=4 1780 B9R1.9 C=CCCN1CC(C1)F 45d0f8a83d887feacfb62beb5041c9fb [0,1,0,1,0,0|2,0,0]=4 1781 B9R1.9 C=CCCN1CC(C1)O f50aa13ebdd017d0632f23171add63b4 [0,1,0,1,0,0|2,0,0]=4 1782 B9R1.9 C=CCNC1CC(C1)F 918f4577853cbecdb6e3b005ec95d53c [0,1,0,1,0,0|2,0,0]=4 1783 B9R1.9 C=CCNC1CC(C1)O 96b31fbbe62f6fdd1561782421bc6939 [0,1,0,1,0,0|2,0,0]=4 1784 B9R1.9 C=CCN[C@H]1C[C@@H](C1)F 51d1cc69d20d7d78a8e456ba565e4f88 [0,1,0,1,0,0|2,0,0]=4 1785 B9R1.9 C=CCN[C@H]1C[C@@H](C1)O ada553fad69d3aa49971c0b8088566ec [0,1,0,1,0,0|2,0,0]=4 1786 B9R1.9 C=CCN[C@H]1C[C@H](C1)F b61a86901aa41e7b5d4bc2ec917435fa [0,1,0,1,0,0|2,0,0]=4 1787 B9R1.9 C=CCN[C@H]1C[C@H](C1)O 9721795a7d375e23d331cefba4a3f346 [0,1,0,1,0,0|2,0,0]=4 1788 B9R1.9 C=CCOC1CC(C1)C b3d57b7f4ff05f28889c77392a995c98 [0,1,0,1,0,0|1,1,0]=4 1789 B9R1.9 C=CCOC1CC(C1)F d35e60ae0165ec1cc3bc44c26309d142 [0,1,0,1,0,0|1,1,0]=4 1790 B9R1.9 C=CCO[C@H]1C[C@@H](C1)F 14e66f7976f502d0564ec690ba0bc512 [0,1,0,1,0,0|1,1,0]=4 1791 B9R1.9 C=CCO[C@H]1C[C@H](C1)F c408beca20a3ffcb0360f6c479e2270c [0,1,0,1,0,0|1,1,0]=4 1792 B9R1.12 C=CCCN1CCSC1 0e6122f82e19674b62d031829ef6e6c3 [0,1,0,1,0,0|2,0,0]=4 1793 B9R1.12 C=CCNC1CCCC1 a44dfccd7811107fa017bf97428af755 [0,1,0,1,0,0|2,0,0]=4 1794 B9R1.12 C=CCNC1CCOC1 ea493534a3434e7220120397f61bb0e6 [0,1,0,1,0,0|2,0,0]=4 1795 B9R1.12 C=CCNC1CCSC1 118e8906c12dbc779536d0b48270d62c [0,1,0,1,0,0|2,0,0]=4 1796 B9R1.12 C=CCN[C@@H]1CCOC1 7035ccf177ffc1ca49976e3b793372d4 [0,1,0,1,0,0|2,0,0]=4 1797 B9R1.12 C=CCN[C@H]1CCOC1 8d426b114cc41c530f1ba50398b1426e [0,1,0,1,0,0|2,0,0]=4 1798 B9R1.12 C=CCOC1CCCC1 22f7677a5a2db535f14966e96785d78f [0,1,0,1,0,0|1,1,0]=4 1799 B9R1.12 C=CCOC1CCCO1 07dc06b14814543ad8fc1e6830b8ad31 [0,1,0,1,0,0|0,2,0]=4 1800 B9R1.12 C=CCOC1CCOC1 f7dcb259ebd712ed1d20050b5ae42528 [0,1,0,1,0,0|1,1,0]=4 1801 B9R1.12 C=CCOC1CCSC1 91499e92622fab1e7f2c5e46ab4d9b5c [0,1,0,1,0,0|1,1,0]=4 1802 B9R1.12 C=CCO[C@@H]1CCOC1 1c87c5212babdae70db54e2b4f5cebba [0,1,0,1,0,0|1,1,0]=4 1803 B9R1.12 C=CCO[C@@H]1CCSC1 c475f04d972d75c445b64dea1f91dbe8 [0,1,0,1,0,0|1,1,0]=4 1804 B9R1.12 C=CCO[C@H]1CCOC1 6ac41eef9f664c640abe61f0570c0c4d [0,1,0,1,0,0|1,1,0]=4 1805 B9R1.12 C=CCO[C@H]1CCSC1 3a48bba6ccea0d1c14e655596734cc66 [0,1,0,1,0,0|1,1,0]=4 1806 B9R1.12 CCCCN1CC=CC1 322529f714caf4fee6378b578ed9b062 [0,1,0,1,0,0|2,0,0]=4 1807 B9R1.12 CCCNC1CC=CC1 3f3ef76b8e489627d540bbb82fd9afa3 [0,1,0,1,0,0|2,0,0]=4 1808 B9R1.12 CCCNc1cccs1 dddbeb0cebfad93e2ee450a927f1f846 [0,1,0,1,0,0|1,0,1]=4 1809 B9R1.12 CCCNc1ccns1 4c2c426bd7131ff8d2911cd5cad3e478 [0,1,0,1,0,0|2,0,0]=4 1810 B9R1.12 CCCOC1C=CCC1 c828ce14c6c0406fcb0a810d3d8e329e [0,1,0,1,0,0|1,1,0]=4 1811 B9R1.12 CCCOC1CC=CC1 285ed002ac68ed1b1a9e755794aa3e39 [0,1,0,1,0,0|1,1,0]=4 1812 B9R1.12 CCCOc1cccs1 08634ab81341ae1b1178430949f9ac0f [0,1,0,1,0,0|0,1,1]=4 1813 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [0,1,0,1,0,0|1,0,1]=4 1814 B9R1.12 CCNCc1ccns1 53d19f3606d2c7046c29db26540fcc72 [0,1,0,1,0,0|2,0,0]=4 1815 B9R1.12 CCOCC1C=CCC1 608a599d2ce1d9806fd4dc0424859b06 [0,1,0,1,0,0|2,0,0]=4 1816 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [0,1,0,1,0,0|1,0,1]=4 1817 B9R1.12 CCOCc1ccns1 01d522fece72fce5cf6b304cfc953d98 [0,1,0,1,0,0|2,0,0]=4 1818 B9R1.20 C=CCN[C@@H]1C[C@@H]1OC 3e743cbe714c3be47e9afb0aef69a80e [0,1,0,1,0,0|2,0,0]=4 1819 B9R1.20 C=CCN[C@@H]1C[C@H]1CO 5a470639871d5384a829ea98fb7e2b66 [0,1,0,1,0,0|2,0,0]=4 1820 B9R1.20 C=CCN[C@H]1C[C@@H]1CO 8bf35402861ef1031aad3be89ccfe4ed [0,1,0,1,0,0|2,0,0]=4 1821 B9R1.20 C=CCN[C@H]1C[C@H]1CO 106ca9072f8f4742e578ecd95bfbfb48 [0,1,0,1,0,0|2,0,0]=4 1822 B9R1.33 C=CCN1CCCC1C 23b9d7c6e1c51172c4b7f3c143a21823 [0,1,0,1,0,0|2,0,0]=4 1823 B9R1.33 C=CCN1CCCC1O 66da8a7311a51194eaf5813c81bf1c63 [0,1,0,1,0,0|2,0,0]=4 1824 B9R1.33 C=CCN1CCC[C@@H]1C 4e286cb09daddaed56ef6d50629bb6c7 [0,1,0,1,0,0|2,0,0]=4 1825 B9R1.33 C=CCN1CCC[C@H]1C d7485f6c33d5bda25c408090ba454490 [0,1,0,1,0,0|2,0,0]=4 1826 B9R1.33 C=CCN1CCSC1C ab5b956375ed6e66b4620a451e3a8a83 [0,1,0,1,0,0|2,0,0]=4 1827 B9R1.58 C=CCN1CC(C1)CC b3fab75d74709d2facf4ced291e26c96 [0,1,0,1,0,0|2,0,0]=4 1828 B9R1.73 C=CCC(=O)N1CCC1 55815189ddb59033ca1eba042556347f [0,1,0,1,0,0|2,0,0]=4 1829 B9R1.73 C=CCN(C)C1CCC1 15e728ab55404d255ea9a47459960538 [0,1,0,1,0,0|2,0,0]=4 1830 B9R1.75 C=CCC(=O)NC1CC1 984833b07067865cc0778ca9e5aeaba0 [0,1,0,1,0,0|2,0,0]=4 1831 B9R1.75 C=CCC(C)OC1CC1 02ac6786d90269b743a9a6011f4b9cec [0,1,0,1,0,0|1,1,0]=4 1832 B9R1.75 C=CCN(C)CC1CC1 2b23424695056452fc14473fb440305f [0,1,0,1,0,0|2,0,0]=4 1833 B9R1.75 C=CC[C@@H](C)OC1CC1 bf4e5360b0bd47bf23a87265df2f7a21 [0,1,0,1,0,0|1,1,0]=4 1834 B9R1.75 C=CC[C@H](C)OC1CC1 3f2851d7a1b6402727c5f11c24921165 [0,1,0,1,0,0|1,1,0]=4 1835 B9R1.100 C=CCCN(C)C1CC1 b8da66835c7e93ebd2a944579972e8d4 [0,1,0,1,0,0|2,0,0]=4 1836 B9R1.100 C=CCN[C@@H](C)C1CC1 6d91e5ef2b698bd894302f15b2d862ed [0,1,0,1,0,0|2,0,0]=4 1837 B9R1.100 C=CCN[C@H](C)C1CC1 7d4f9d834e83a838c087b027f0cfc12f [0,1,0,1,0,0|2,0,0]=4 1838 B9R1.100 C=CCOC(C)C1CC1 9a6cbd97c9e1f2a4b8d64ae7ab72f097 [0,1,0,1,0,0|1,1,0]=4 1839 B9R1.100 C=CCO[C@@H](C)C1CC1 1c46d104cc479486299238cfd4a93bb4 [0,1,0,1,0,0|1,1,0]=4 1840 B9R1.100 C=CCO[C@H](C)C1CC1 2b5f0167fe2fc0c993405a35fcf166be [0,1,0,1,0,0|1,1,0]=4 1841 B9R1.117 C=CCNC1(CCC1)C 8776625d3b9ef3dee8cebc99a8fe719f [0,1,0,1,0,0|2,0,0]=4 1842 B9R1.154 C=CCN1C(CC1C)C d4425a82251dd3b389dff4a6f96a40b1 [0,1,0,1,0,0|2,0,0]=4 1843 B9R1.154 C=CCN1[C@@H](C[C@@H]1C)C d11978b23352048af88df9c66dd4212b [0,1,0,1,0,0|2,0,0]=4 1844 B9R1.154 C=CCN1[C@@H](C[C@H]1C)C 71b18c894724021dc638e5c4a9790929 [0,1,0,1,0,0|2,0,0]=4 1845 B9R1.154 C=CCN1[C@H](C[C@@H]1C)C ed5c1c84a89627cf7cf28555fd8993e8 [0,1,0,1,0,0|2,0,0]=4 1846 B9R1.4 C=CCN1CCC1CC 80dfc38a710a73642943fc9e6dca1e58 [0,1,0,1,0,0|2,0,0]=4 1847 B9R1.4 C=CCN1CCC1CO 36c7f5d9b97a27b83589e7c8fb4c66f2 [0,1,0,1,0,0|2,0,0]=4 1848 B9R1.4 C=CCN1CC[C@@H]1CO 0224d8d811d38ebd98b16fac394235b9 [0,1,0,1,0,0|2,0,0]=4 1849 B9R1.4 C=CCN1CC[C@H]1CO e8ceceb5a8d84f9c7fe1abe7686377a6 [0,1,0,1,0,0|2,0,0]=4 1850 B9R1.16 C/C=C/CNC1CC1C 5f4df3d29b12fa8466984019f1ac02fe [0,1,0,1,0,0|2,0,0]=4 1851 B9R1.16 C/C=C\CNC1CC1C 79fd38f3fba8c12e2306372fac625398 [0,1,0,1,0,0|2,0,0]=4 1852 B9R1.16 C=C1CC1COCCC dbf7f65a57254b2e5c70dceecfec1a08 [0,1,0,1,0,0|1,1,0]=4 1853 B9R1.16 C=CCCNC1CC1C 747a4f501e0865aab3cf0c231ab14d8f [0,1,0,1,0,0|2,0,0]=4 1854 B9R1.16 C=CCCN[C@@H]1C[C@H]1F 89545930340352faeb441d78c86d8f50 [0,1,0,1,0,0|2,0,0]=4 1855 B9R1.16 C=CCCN[C@H]1C[C@@H]1F b693ab4602feac66b742c9dcc5216ade [0,1,0,1,0,0|2,0,0]=4 1856 B9R1.16 C=CCCN[C@H]1C[C@H]1F c0c1ccdb1b72d2434f8bad546952fd37 [0,1,0,1,0,0|2,0,0]=4 1857 B9R1.16 C=CCOCC1CC1C 647676f58a9166a3b1d49e87f83fd548 [0,1,0,1,0,0|1,1,0]=4 1858 B9R1.16 C=CCOC[C@@H]1C[C@@H]1C f69e8d4df7003fd1349e7e58d7969c45 [0,1,0,1,0,0|1,1,0]=4 1859 B9R1.16 C=CCOC[C@@H]1C[C@@H]1F 7796cc5a868fcc409d505f3f3ba7e1dd [0,1,0,1,0,0|1,1,0]=4 1860 B9R1.16 C=CCOC[C@@H]1C[C@H]1C abf188b83ca4f21c698711925d337650 [0,1,0,1,0,0|1,1,0]=4 1861 B9R1.16 C=CCOC[C@@H]1C[C@H]1F dcac6b55c2af5908b4700787c08f2d93 [0,1,0,1,0,0|1,1,0]=4 1862 B9R1.16 C=CCOC[C@H]1C[C@@H]1C eea92b22b51f725ae81f9a25c2a44125 [0,1,0,1,0,0|1,1,0]=4 1863 B9R1.16 C=CCOC[C@H]1C[C@@H]1F 6cb95cbde73e591c859a99a47ca0a15f [0,1,0,1,0,0|1,1,0]=4 1864 B9R1.16 C=CCOC[C@H]1C[C@H]1F c270562422747355ab6e2e3e79bc901a [0,1,0,1,0,0|1,1,0]=4 1865 B9R1.16 CC1CC1NC/C=C/Cl dfbd3160f5a1e2769ac785e48ac30667 [0,1,0,1,0,0|2,0,0]=4 1866 B9R1.16 CC1CC1NC/C=C\Cl 49c19e990587debbc3ca7a0df5e96b6f [0,1,0,1,0,0|2,0,0]=4 1867 B9R1.16 CC1CC1NC/C=C\O 9a9e5e2582457eba9ff0336079c77c3b [0,1,0,1,0,0|2,0,0]=4 1868 B9R1.17 C/C=C/CNC1CCC1 69129c6773c21c1cc67095f8d6ef9991 [0,1,0,1,0,0|2,0,0]=4 1869 B9R1.17 C/C=C/COC1CCC1 6e99de4f67d290634af940908f88ebdb [0,1,0,1,0,0|1,1,0]=4 1870 B9R1.17 C/C=C\CNC1CCC1 bfc2dc6a52e10bd108caf23b444f9a12 [0,1,0,1,0,0|2,0,0]=4 1871 B9R1.17 C/C=C\COC1CCC1 6e8f80104dc0d1622838cbb39d9afcf5 [0,1,0,1,0,0|1,1,0]=4 1872 B9R1.17 C=CCCCN1CCC1 79fbb3a2d17451a36b670f0f8ba89738 [0,1,0,1,0,0|2,0,0]=4 1873 B9R1.17 C=CCCNC1CCC1 b2ca0b88deeb83a7c2d61204f59e8ff3 [0,1,0,1,0,0|2,0,0]=4 1874 B9R1.17 C=CCCNC1COC1 5eaa147df927b8676df28791f1527471 [0,1,0,1,0,0|2,0,0]=4 1875 B9R1.17 C=CCCOC1CCC1 c328b7599efb51dd1bfb7291c6261276 [0,1,0,1,0,0|1,1,0]=4 1876 B9R1.17 C=CCCOC1COC1 f3659543d188144d32f15b2a20d2358f [0,1,0,1,0,0|1,1,0]=4 1877 B9R1.17 C=CCCOC1CSC1 229b04254e688d2702c1b677dbb57d1e [0,1,0,1,0,0|1,1,0]=4 1878 B9R1.17 C=CCNCC1CCC1 5da1fe94035d41e639fcc0fbbfde87b2 [0,1,0,1,0,0|2,0,0]=4 1879 B9R1.17 C=CCNCC1CCO1 c7f349b3f29c7ac6cdb9735edec45369 [0,1,0,1,0,0|2,0,0]=4 1880 B9R1.17 C=CCNCC1COC1 ad94150420d4def4a80f434f03124981 [0,1,0,1,0,0|2,0,0]=4 1881 B9R1.17 C=CCNC[C@@H]1CCO1 7eadbd23d4745ff9fe9ae3de26909d1b [0,1,0,1,0,0|2,0,0]=4 1882 B9R1.17 C=CCNC[C@H]1CCO1 a3aa55bc5461dcb6e12d00231665d5a0 [0,1,0,1,0,0|2,0,0]=4 1883 B9R1.17 C=CCOCC1CCC1 5c7cdd4f65c4652a52a56bde68d5c494 [0,1,0,1,0,0|1,1,0]=4 1884 B9R1.17 C=CCOCC1CCO1 d2ecf56156cb151cd126d16ea5f8f5ae [0,1,0,1,0,0|1,1,0]=4 1885 B9R1.17 C=CCOCC1COC1 e3b41b1391810f808171aa3b886de59b [0,1,0,1,0,0|1,1,0]=4 1886 B9R1.17 C=CCOCC1CSC1 a904dd09d056f265db89f7dfeaebb752 [0,1,0,1,0,0|1,1,0]=4 1887 B9R1.17 C=CCOC[C@@H]1CCO1 dad0347deeb6c5259f051c02e5155db1 [0,1,0,1,0,0|1,1,0]=4 1888 B9R1.17 C=CCOC[C@H]1CCO1 1d5c5ccac07a016f5e10eaa5e70dd8eb [0,1,0,1,0,0|1,1,0]=4 1889 B9R1.17 CC=CCNC1CCC1 9c108ee5c212cead7091368db5d766a5 [0,1,0,1,0,0|2,0,0]=4 1890 B9R1.17 CC=CCOC1CCC1 e55c4a09137b63cab559305c3d0fa528 [0,1,0,1,0,0|1,1,0]=4 1891 B9R1.17 Cl/C=C/CNC1CCC1 5aef01f407cfaa93a155ea85a0750f71 [0,1,0,1,0,0|2,0,0]=4 1892 B9R1.17 Cl/C=C/COC1CCC1 e602016f5a5e443848d7a5df1baa050e [0,1,0,1,0,0|1,1,0]=4 1893 B9R1.17 Cl/C=C\CNC1CCC1 81bb455843cfa4692a14eb3e20218b60 [0,1,0,1,0,0|2,0,0]=4 1894 B9R1.17 Cl/C=C\COC1CCC1 4c7d9aba40864a175fa3171c252d5776 [0,1,0,1,0,0|1,1,0]=4 1895 B9R1.17 ClC=CCOC1CCC1 a501826c43419f7ae9c7daa1f1ed8e04 [0,1,0,1,0,0|1,1,0]=4 1896 B9R1.17 O/C=C\CNC1CCC1 f40d8cab44d9002b94a78cf51c0df6fd [0,1,0,1,0,0|2,0,0]=4 1897 B9R1.39 C=CCNC1CCC1F 6a3bc87de19eb5b3477c97bc93860041 [0,1,0,1,0,0|2,0,0]=4 1898 B9R1.39 C=CCNC1CCC1O 229b9c96e83aa088372e4e4a6dcb59f2 [0,1,0,1,0,0|2,0,0]=4 1899 B9R1.39 C=CCNC1COC1C d54a19af88c511df58d712ce21236db8 [0,1,0,1,0,0|2,0,0]=4 1900 B9R1.39 C=CCN[C@@H]1CC[C@@H]1O 581922c99b9cc67a815fc476a69467a9 [0,1,0,1,0,0|2,0,0]=4 1901 B9R1.39 C=CCN[C@@H]1CC[C@H]1C 797a6c1bec8774f1131e38d629ebf289 [0,1,0,1,0,0|2,0,0]=4 1902 B9R1.39 C=CCN[C@@H]1CC[C@H]1O db22843ea538b97095e5d1f5c4aa2569 [0,1,0,1,0,0|2,0,0]=4 1903 B9R1.39 C=CCN[C@H]1CC[C@@H]1O 2113c2f777bf317720c87da6218a1fe9 [0,1,0,1,0,0|2,0,0]=4 1904 B9R1.39 C=CCN[C@H]1CC[C@H]1C a2113edba5b85ccfd3c7ed37a186f8af [0,1,0,1,0,0|2,0,0]=4 1905 B9R1.39 C=CCN[C@H]1CC[C@H]1O b862315085241fc8c33a026f8c10827a [0,1,0,1,0,0|2,0,0]=4 1906 B9R1.39 C=CCOC1COC1C 912914be94532170f64f01b8025c395f [0,1,0,1,0,0|1,1,0]=4 1907 B9R1.83 C/C=C/CCOC1CC1 f889ca5b2601f57d7b09c4f22deaad87 [0,1,0,1,0,0|1,1,0]=4 1908 B9R1.83 C/C=C/CNCC1CC1 9efe95867ef4f2036cfe20cf22c37417 [0,1,0,1,0,0|2,0,0]=4 1909 B9R1.83 C/C=C/COCC1CC1 84ba4f3d699fc619e338a6373e68ca68 [0,1,0,1,0,0|1,1,0]=4 1910 B9R1.83 C/C=C\CNCC1CC1 907b248d50bf55a78b0c5357c7302669 [0,1,0,1,0,0|2,0,0]=4 1911 B9R1.83 C/C=C\COCC1CC1 2999bbd5637ab2e784bcb55b0fa3c3ad [0,1,0,1,0,0|1,1,0]=4 1912 B9R1.83 C=C=CCCOC1CC1 e6554e15c293e7faa74abe74dd5299a3 [0,1,0,1,0,0|1,1,0]=4 1913 B9R1.83 C=CCCCNC1CC1 fd03e8d96a892feb80bd9124662e54eb [0,1,0,1,0,0|2,0,0]=4 1914 B9R1.83 C=CCCCOC1CC1 f50c46c5e6361c6f38ecbc945267201f [0,1,0,1,0,0|1,1,0]=4 1915 B9R1.83 C=CCCNCC1CC1 99f83c26da404011e22f37cdeeaa0989 [0,1,0,1,0,0|2,0,0]=4 1916 B9R1.83 C=CCCOCC1CC1 3c9b915cf00d6498b589d15c57a937be [0,1,0,1,0,0|1,1,0]=4 1917 B9R1.83 C=CCNCCC1CC1 0cc2360cdbffe20d82b5ece4cbb3be17 [0,1,0,1,0,0|2,0,0]=4 1918 B9R1.83 C=CCNCCN1CC1 d153e2130debd46f4c24007113c58c11 [0,1,0,1,0,0|2,0,0]=4 1919 B9R1.83 C=CCOCCC1CC1 6c68105a3b7e7c21024b8d52b38c3fcc [0,1,0,1,0,0|1,1,0]=4 1920 B9R1.83 C=CCOCCN1CC1 98f12ddaf158c825cad9b1bcc6ceb5eb [0,1,0,1,0,0|1,1,0]=4 1921 B9R1.83 C=COCCNC1CC1 de194d8695caa8e793a0fd361853e44a [0,1,0,1,0,0|2,0,0]=4 1922 B9R1.83 C=COCCOC1CC1 dab1da01423ce24e3c6490deb4b0c2b7 [0,1,0,1,0,0|1,1,0]=4 1923 B9R1.83 CC=CCNCC1CC1 fe3aa2d599950b5d04075747a1bfdea4 [0,1,0,1,0,0|2,0,0]=4 1924 B9R1.83 CC=CCOCC1CC1 d318dc70ece1ecb9bf542e9c745ab43f [0,1,0,1,0,0|1,1,0]=4 1925 B9R1.83 Cl/C=C/CNCC1CC1 cc74b7775b36d9b7402d288043851218 [0,1,0,1,0,0|2,0,0]=4 1926 B9R1.83 Cl/C=C/COCC1CC1 aee76dbe02a63f8046a9f04a3f39ba2a [0,1,0,1,0,0|1,1,0]=4 1927 B9R1.83 Cl/C=C\CNCC1CC1 40a0989639f61ff47aa0aea8a39cf9d5 [0,1,0,1,0,0|2,0,0]=4 1928 B9R1.83 Cl/C=C\COCC1CC1 911ce12e9b18ba96671f78dbb017b236 [0,1,0,1,0,0|1,1,0]=4 1929 B9R1.83 ClC=CCOCC1CC1 0ada644dcc7984b953870120499529c9 [0,1,0,1,0,0|1,1,0]=4 1930 B9R1.83 O/C=C\CNCC1CC1 d334ec2882453580e7bf1aa7c14449be [0,1,0,1,0,0|2,0,0]=4 1931 B9R1.78 C=CC(C)NC1CC1C 5b9e00ba6325be12eaba77915e932149 [0,1,0,1,0,0|2,0,0]=4 1932 B9R1.79 C=CC(C)NC1CCC1 0fbf586c423f41e6d3c34ab4c06d3efd [0,1,0,1,0,0|2,0,0]=4 1933 B9R1.79 C=CC(C)OC1CCC1 86437af073ef6720bc4525acb7141504 [0,1,0,1,0,0|1,1,0]=4 1934 B9R1.79 C=C[C@H](C)OC1CCC1 d6b3f218157baafc8fa5691c5c3addfc [0,1,0,1,0,0|1,1,0]=4 1935 B9R1.80 C=CC(C)COC1CC1 2a89afcde2fb28df3b744181dc7e49c1 [0,1,0,1,0,0|1,1,0]=4 1936 B9R1.80 C=CC(C)NCC1CC1 9c781954a7d6b92120c7bb4ab11ea6a8 [0,1,0,1,0,0|2,0,0]=4 1937 B9R1.80 C=CC(C)OCC1CC1 940bdc59b29d7b9f7b6d5708b8e5a78c [0,1,0,1,0,0|1,1,0]=4 1938 B9R1.80 C=CC(O)CNC1CC1 9651f8d43922fb18d78d73fd3293d226 [0,1,0,1,0,0|2,0,0]=4 1939 B9R1.80 C=C[C@H](C)OCC1CC1 5f3f6610f60ef3a694d062d56d16ead9 [0,1,0,1,0,0|1,1,0]=4 1940 B9R1.99 C=CCCNC1(CC1)C b7cd65bff1ee2f0d98b7c4d9935f4274 [0,1,0,1,0,0|2,0,0]=4 1941 B9R1.99 C=CCNCC1(CC1)F de04c68e31cd353f057abf2d36a56003 [0,1,0,1,0,0|2,0,0]=4 1942 B9R1.99 C=CCNCC1(CC1)O 355d13b9df87a68125ee9394e026a3e9 [0,1,0,1,0,0|2,0,0]=4 1943 B9R1.99 C=CCOCC1(CC1)Br d37a6984d58b7530291e19384dc373df [0,1,0,1,0,0|1,1,0]=4 1944 B9R1.99 C=CCOCC1(CC1)C f387acfd168a9a86b71cdb6bccabfb3d [0,1,0,1,0,0|1,1,0]=4 1945 B9R1.99 C=CCOCC1(CC1)Cl 9b52ede946361c9eba899045dfb898d0 [0,1,0,1,0,0|1,1,0]=4 1946 B9R1.99 C=CCOCC1(CC1)F 34764e5fca977bd7052b2b3e14737753 [0,1,0,1,0,0|1,1,0]=4 1947 B9R1.46 C=C(Br)CNC1CC1C 6a21ba73831e8c995c5be343bd73ffab [0,1,0,1,0,0|2,0,0]=4 1948 B9R1.46 C=C(C)CNC1CC1C 2b9ed88b52a9db253a701d69a05910c6 [0,1,0,1,0,0|2,0,0]=4 1949 B9R1.46 C=C(Cl)CNC1CC1C 41939aef17647277c90201ff2ab0dbe1 [0,1,0,1,0,0|2,0,0]=4 1950 B9R1.46 C=C(F)CNC1CC1C 9a99a8fc778f2902c8674b440d7aa4db [0,1,0,1,0,0|2,0,0]=4 1951 B9R1.77 C=CCCN1CC1(C)C 6f4c37a81884616237a2fbd80ff47ff6 [0,1,0,1,0,0|2,0,0]=4 1952 B9R1.77 C=CCNC1CC1(C)C 4e737c4363742c6645b25c5e2361c54c [0,1,0,1,0,0|2,0,0]=4 1953 B9R1.77 C=CCN[C@@H]1CC1(C)C 64f8b84957166678a43187dab6551a24 [0,1,0,1,0,0|2,0,0]=4 1954 B9R1.77 C=CCN[C@H]1CC1(C)C 5fce633b8eb6a72a6420efcd087cc6ee [0,1,0,1,0,0|2,0,0]=4 1955 B9R1.84 C=C(Br)CNC1CCC1 b5332afd557992b85a5b176b740e7ead [0,1,0,1,0,0|2,0,0]=4 1956 B9R1.84 C=C(Br)COC1CCC1 f0299dc579956f565c871cc427746846 [0,1,0,1,0,0|1,1,0]=4 1957 B9R1.84 C=C(C)CCN1CCC1 b236683847aba1fe01d439e57227afaa [0,1,0,1,0,0|2,0,0]=4 1958 B9R1.84 C=C(C)CNC1CCC1 4a23e4c060f1fb43861ecdae16709370 [0,1,0,1,0,0|2,0,0]=4 1959 B9R1.84 C=C(C)COC1CCC1 543c9c519279dd68009467313a91bb34 [0,1,0,1,0,0|1,1,0]=4 1960 B9R1.84 C=C(Cl)CNC1CCC1 fd97072f13db5e9d4614f7e2de2ea754 [0,1,0,1,0,0|2,0,0]=4 1961 B9R1.84 C=C(Cl)COC1CCC1 0ed4ba90e018bc78f519c36cbf723e49 [0,1,0,1,0,0|1,1,0]=4 1962 B9R1.84 C=C(F)CNC1CCC1 4937bd35b62cb510ffde34809b286e41 [0,1,0,1,0,0|2,0,0]=4 1963 B9R1.84 C=C(F)COC1CCC1 4e2e517366406bc26b5321085d6c13f4 [0,1,0,1,0,0|1,1,0]=4 1964 B9R1.84 C=C(I)COC1CCC1 f7e50cec6d8c94d518e081f2313fe81f [0,1,0,1,0,0|1,1,0]=4 1965 B9R1.85 C=C(Br)CCOC1CC1 e3312cf41fc063801f575f3664b7e218 [0,1,0,1,0,0|1,1,0]=4 1966 B9R1.85 C=C(Br)CNCC1CC1 48d2e19cc12571f0b747d8946a047a66 [0,1,0,1,0,0|2,0,0]=4 1967 B9R1.85 C=C(Br)COCC1CC1 72eed00bc2f8e00b0099015e72c2cd8f [0,1,0,1,0,0|1,1,0]=4 1968 B9R1.85 C=C(C)CCNC1CC1 6ae96494db2a3a4fc4ed3a2a1637d035 [0,1,0,1,0,0|2,0,0]=4 1969 B9R1.85 C=C(C)CCOC1CC1 ddccda51fae4017136f8b3a868b4dd9c [0,1,0,1,0,0|1,1,0]=4 1970 B9R1.85 C=C(C)CNCC1CC1 628bc75d287b4f812cc8465de02f17f7 [0,1,0,1,0,0|2,0,0]=4 1971 B9R1.85 C=C(C)COCC1CC1 603f38758eee841c895005229814bd4b [0,1,0,1,0,0|1,1,0]=4 1972 B9R1.85 C=C(Cl)CNCC1CC1 6872c59df27d0869a77c777c3f4cc4b5 [0,1,0,1,0,0|2,0,0]=4 1973 B9R1.85 C=C(Cl)COCC1CC1 e89eb66864a4bf1519ae687951fd59fe [0,1,0,1,0,0|1,1,0]=4 1974 B9R1.85 C=C(F)CNCC1CC1 8a1f3f077a28213a137b73fb34c4bbae [0,1,0,1,0,0|2,0,0]=4 1975 B9R1.85 C=C(F)COCC1CC1 1221b82cfe1b9ce180c9dd23d57c682a [0,1,0,1,0,0|1,1,0]=4 1976 B9R1.85 C=C(I)COCC1CC1 488dc2053d0eed68e56b9809cc9fb852 [0,1,0,1,0,0|1,1,0]=4