0 B7R0.1 C#CCCNCC=C d90d94f7d315e0166250ba5af8ae469e [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C#CCCOCC=C 8bdecfee994b87778a9a15bbeef233cc [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 C#CCNCCC=C 6db24e9c2d55a0af81323c8318489a10 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C#CCOCCC=C fd466e025012a5d497aea84a85fae5e4 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C=CCCCNC#N 2caeec63334acbb1edf3ee2996a39bb2 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [0,0,0,0,0,0|0,1,2]=3 6 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,0,0,0,0,0|0,1,2]=3 9 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,0,0,0,0,0|2,0,1]=3 10 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.1 C=CCCNCC#N a332b7f37f49d54a58efe2c542b996ff [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 C=CCCNCC=C ed28868ac318a2b10127bb777ccfd9d8 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [0,0,0,0,0,0|2,1,1]=4 14 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,0,0,0,0,0|2,1,1]=4 19 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.1 C=CCCOCC#N d365122be2095f88b420ea78aed40a5c [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,0,0,0,0,0|2,1,1]=4 25 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,0,0,0,0,0|3,0,1]=4 26 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,0,0,0,0,0|2,0,2]=4 28 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.1 C=CCNCC#CC 6c02e2f05d85401245227efb2b09dc93 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.1 C=CCNCC=CC 38ec17f6446a97524dd04ec6f1e4cb2d [0,0,0,0,0,0|3,0,1]=4 32 B7R0.1 C=CCNCCC#N ebe6ef4017e88e939a746deb0ffff8ba [0,0,0,0,0,0|3,0,1]=4 33 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,0,0,0,0,0|3,0,1]=4 34 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,0,0,0,0,0|2,1,1]=4 36 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.1 C=CCNCCON d6a2b5d5e4daf1b2d12e175eb47f6f94 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [0,0,0,0,0,0|3,0,1]=4 40 B7R0.1 C=CCOC/C=C/Cl 780a34b41257df1074acb78e79cbaf58 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [0,0,0,0,0,0|3,0,1]=4 42 B7R0.1 C=CCOCC#CC 4cc7727639fb0b04e42f95bf905e56dc [0,0,0,0,0,0|3,0,1]=4 43 B7R0.1 C=CCOCC#CI b2b08969bfb832da90edf2d5366eec7f [0,0,0,0,0,0|3,0,1]=4 44 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [0,0,0,0,0,0|3,0,1]=4 45 B7R0.1 C=CCOCC=CCl 3a1328d2f690c50bdbb50cf80b7063a0 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.1 C=CCOCCC#N de5c98f1eaae1963d325522a08f87649 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,0,0,0,0,0|2,1,1]=4 48 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,0,0,0,0,0|2,0,2]=4 51 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,0,0,0,0,0|4,0,0]=4 53 B7R0.1 C=COCCNC=O 7ffcb3447840a0b895742093e8d4046d [0,0,0,0,0,0|1,1,2]=4 54 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.1 C=COCCNCF 3ba58790b2f94dae0082c66f02d661b4 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.1 C=COCCNCO 86b2fb60b2800713957c117bad818dd0 [0,0,0,0,0,0|1,1,2]=4 57 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.1 C=COCCOCF b7f6077cb09eeaf4f3fbc2b47e09278f [0,0,0,0,0,0|3,0,1]=4 59 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.1 N#CNCCCC=O de6c2527b5c583058557280e038afe12 [0,0,0,0,0,0|2,0,2]=4 61 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.6 C#CCNCC=C 8a6691866f7ad7e25dfae0189494fb97 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.6 C#CCOCC=C 9ee4b3b7cf76c12c4527cb9a8ab9f5f0 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 C=CCCNC#N 7f6209637e037705b943b176b9fa9994 [1,0,0,0,0,0|1,0,2]=4 65 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [1,0,0,0,0,0|0,1,2]=4 66 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,0,0,0,0,0|1,0,2]=4 67 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [1,0,0,0,0,0|0,1,2]=4 69 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,0,0,0,0|2,0,1]=4 70 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.6 C=CCNCC#N e6dacd4b5043db0119c1a8003acadd33 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [1,0,0,0,0,0|2,0,1]=4 73 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [1,0,0,0,0,0|2,0,1]=4 76 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [1,0,0,0,0,0|1,1,1]=4 77 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [1,0,0,0,0,0|1,0,2]=4 78 B6R0.6 C=CCOCC#N 74b14a6e6555166ef6d735282c8bae13 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [1,0,0,0,0,0|1,0,2]=4 82 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.1 C=CCC(C)CNC#N 4da4dfee3e87e26f54623a6b376fc3fb [0,1,0,0,0,0|1,0,2]=4 84 B8R0.1 C=CCC(C)COCC 1270be54942bfc9267f93a523dae28a1 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.1 C=CCC(C)COCF 1addc2f48251cfde760e48a173ade9f6 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.1 C=CCC(O)CNC=O bd60316b28a4da54cc901c5bd26e442c [0,1,0,0,0,0|0,1,2]=4 87 B8R0.1 C=CCC(O)CNCC aa1682f0a7f6c65d6e9eb9dff4402815 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.1 C=CCC(O)CNCF c0bdf6f8ca06080a80ef62d0a41a2190 [0,1,0,0,0,0|1,0,2]=4 89 B8R0.1 C=CCC(O)CNCO 204a1c2d99d2ab906e0c45b9fba04cd9 [0,1,0,0,0,0|0,1,2]=4 90 B8R0.1 C=CCCC(C)NC#N fd3d4309a4ae4dd9318cbef3e6cad7e9 [0,1,0,0,0,0|1,0,2]=4 91 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [0,1,0,0,0,0|2,0,1]=4 92 B8R0.1 C=CCCC(C)OCF 2fe0bf3483d518898b11cb64496852dd [0,1,0,0,0,0|2,0,1]=4 93 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [0,1,0,0,0,0|2,0,1]=4 94 B8R0.1 C=CCC[C@@H](C)OCF 56aa63106d3c71dcf2e80e084457afa8 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.4 C#CCCCNCC=C 5f2e28ed26be6b1918542a15db0ea2dd [0,1,0,0,0,0|2,0,1]=4 96 B8R0.4 C#CCCCOCC=C c39c47b680023e071738dee179943a8b [0,1,0,0,0,0|2,0,1]=4 97 B8R0.4 C#CCCNCCC=C 9794b7468c99ece409ea6b212e97182c [0,1,0,0,0,0|2,0,1]=4 98 B8R0.4 C#CCCOCCC=C 4c8b9c2c0d72c631a7974d3087fff62e [0,1,0,0,0,0|2,0,1]=4 99 B8R0.4 C#CCNCCCC=C 7b26c6616ec148321d3d4ce1e87fbe89 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.4 C#CCOCCCC=C 556d0cf131aedf00ec9b50a54ed64d0e [0,1,0,0,0,0|2,0,1]=4 101 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [0,1,0,0,0,0|2,0,1]=4 102 B8R0.4 C/C=C/CCCOCF a981fceddad0dcf6ee5e0f278ed16a4d [0,1,0,0,0,0|2,0,1]=4 103 B8R0.4 C/C=C\CCCNC#N 12fdaf12f3346551cc1cbe389dafa944 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [0,1,0,0,0,0|2,0,1]=4 105 B8R0.4 C/C=C\CCCOCF 4eb5a6e68f7b187a36b2e84cab9ffcd8 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.4 C=C=CCCOCC=C dd44d3b702d46aedc93d618d3f26fc18 [0,1,0,0,0,0|2,0,0]=3 107 B8R0.4 C=C=CCCOCC=O 7d1b287becd2562a9e8b56e216e91c79 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.4 C=CCCCCNC#N 144e7067f30cd1f273087bf1eaa24e3b [0,1,0,0,0,0|1,0,2]=4 109 B8R0.4 C=CCCCCNC=O d1a18970ef82160dc43ff2316b351101 [0,1,0,0,0,0|0,1,2]=4 110 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [0,1,0,0,0,0|1,0,2]=4 111 B8R0.4 C=CCCCCNCF 66d1b08c51ad91b8d794558a3082c457 [0,1,0,0,0,0|1,0,2]=4 112 B8R0.4 C=CCCCCNCO 0b537372ef9331045a9745fddf549658 [0,1,0,0,0,0|0,1,2]=4 113 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [0,1,0,0,0,0|2,0,1]=4 114 B8R0.4 C=CCCCCOCF 652425cff1f9489e7dc290eddd18987a [0,1,0,0,0,0|2,0,1]=4 115 B8R0.4 C=CCCCNCC#N 2bf4426d43ec9f9f1def9c32c3027020 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.4 C=CCCCNCC=C e27c0a4cbdfc3b6d6f5225d2c71dd9d7 [0,1,0,0,0,0|1,0,2]=4 117 B8R0.4 C=CCCCNCC=O c6aa5d9295ee6884dda33ba20309e113 [0,1,0,0,0,0|0,1,2]=4 118 B8R0.4 C=CCCCNCCBr 43c775c72da8acf09a20a8db6ce741dc [0,1,0,0,0,0|1,0,2]=4 119 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [0,1,0,0,0,0|1,0,2]=4 120 B8R0.4 C=CCCCNCCF 5aae0c269d267d53802179e4cab94afb [0,1,0,0,0,0|1,0,2]=4 121 B8R0.4 C=CCCCNCCI 441ba7fe4c9dcc0c4d21c4a2bd530b1a [0,1,0,0,0,0|1,0,2]=4 122 B8R0.4 C=CCCCNCCO 8a1b35dc4f0997056aa8d06819d9c2fe [0,1,0,0,0,0|0,1,2]=4 123 B8R0.4 C=CCCCNCCS 2ab638d6017ad22dc1c1beb467a58251 [0,1,0,0,0,0|0,0,3]=4 124 B8R0.4 C=CCCCNCOC 617d1097d149d47807c995b2155094d5 [0,1,0,0,0,0|0,1,2]=4 125 B8R0.4 C=CCCCNCSC 2d25245ea1d2bd3af11d66f6de12b1b9 [0,1,0,0,0,0|0,0,3]=4 126 B8R0.4 C=CCCCOCC#N 36a4f055e6fa3409a40c78c0ef4cc152 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.4 C=CCCCOCC=C ad263f502d3183145d3ed088a27f6019 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.4 C=CCCCOCC=O 2f101ef2b5e28437d61e44d8f0dff410 [0,1,0,0,0,0|1,1,1]=4 129 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [0,1,0,0,0,0|2,0,1]=4 130 B8R0.4 C=CCCCOCCF 053da209f8e2fcf3d41519ae567dccd2 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.4 C=CCCCOCCS 230273a3bde125da52158385e7b68364 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.4 C=CCCCOCOC 1dd3d998493040ba8df98fd517ea651d [0,1,0,0,0,0|1,1,1]=4 133 B8R0.4 C=CCCCOCSC 7dc13b8df2da34a1b6ef8defe10e2334 [0,1,0,0,0,0|1,0,2]=4 134 B8R0.4 C=CCCNC/C=C/C 4ccb6d4a5466181c92f31da9f9d13f2f [0,1,0,0,0,0|2,0,1]=4 135 B8R0.4 C=CCCNC/C=C/Cl 26eff8853e782527693552ffffed3b97 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.4 C=CCCNC/C=C\C 54a5f9c4187e71089766a41283a9f321 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.4 C=CCCNC/C=C\Cl c904de5bce245a1b614b6235b13c0d3c [0,1,0,0,0,0|2,0,1]=4 138 B8R0.4 C=CCCNC/C=C\O 47c7bcf69cc83af6600d2f1017c22bbc [0,1,0,0,0,0|1,1,1]=4 139 B8R0.4 C=CCCNCC#CC 7f8989a42da922606b9fcbe1f24f3f02 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.4 C=CCCNCC=CC d037edea77cb2ac74694bf9895dc0ab4 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.4 C=CCCNCCC#N f719cf7d78ddfa76caccd938bd442473 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.4 C=CCCNCCC=C a8eee7a600a072cdcba3dd1cd63ab5f7 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.4 C=CCCNCCC=O dc8c76cf5e14247b5bfc6b4c26a93331 [0,1,0,0,0,0|1,1,1]=4 144 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.4 C=CCCNCCCCl 2f80890407d24a4d727a764aa3314000 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.4 C=CCCNCCCF a727d01dc8aa52a771e9ef8cbecd1bb2 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.4 C=CCCNCCCO fe03ee5320fba7694ee66066e81064aa [0,1,0,0,0,0|1,1,1]=4 148 B8R0.4 C=CCCNCCCS b5e2dc034d60fce9646b396f0e9d8f84 [0,1,0,0,0,0|1,0,2]=4 149 B8R0.4 C=CCCNCCOC d3b2c39d815d8d99aea063862b21fe54 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.4 C=CCCNCCON 0de366875d2a68398e2cc136cda7011f [0,1,0,0,0,0|3,0,0]=4 151 B8R0.4 C=CCCNCCSC edc60d95e6e1f18c1ede12af162c8143 [0,1,0,0,0,0|3,0,0]=4 152 B8R0.4 C=CCCNCOCC 019c5c2eeb83b0d217acda6f874337c0 [0,1,0,0,0,0|2,0,1]=4 153 B8R0.4 C=CCCNCSC#N 7e8d6f766636e593a1fc5435240819c2 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.4 C=CCCOC/C=C/C d631280c1763f785a03b3040cb129c16 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.4 C=CCCOC/C=C/Cl 496d426678bda9b2978ef1e9c3fe0954 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.4 C=CCCOC/C=C\C c3c90fac970442c1f88131a6471a2602 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.4 C=CCCOC/C=C\Cl 667363682137489cff122b1dfe4b535c [0,1,0,0,0,0|2,0,1]=4 158 B8R0.4 C=CCCOCC#CC 5f35d358b14517068ff00476952373eb [0,1,0,0,0,0|2,0,1]=4 159 B8R0.4 C=CCCOCC#CI 6d92026971915c2e8828a1b90b3ea5fe [0,1,0,0,0,0|2,0,1]=4 160 B8R0.4 C=CCCOCC=CC c7a0ab3a74b3b6a037b51484209ea853 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.4 C=CCCOCC=CCl 1ffda411f99357c223287d7f8868894a [0,1,0,0,0,0|2,0,1]=4 162 B8R0.4 C=CCCOCCC#N 2bfce7ca5ed408d1d77221a58b62d5a6 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.4 C=CCCOCCC=C 9c8c76b760ae4876f6c334767f6424f2 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.4 C=CCCOCCC=O ec149354374d31933709b7996ee520e0 [0,1,0,0,0,0|1,1,1]=4 165 B8R0.4 C=CCCOCCCC 97ba8da216ed199156e3ec05890dcca1 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.4 C=CCCOCCCF 3fad1ee7845cd193dab2bfc519ad2d31 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.4 C=CCCOCCCS 40f27123e6e7a95472850525bbd82a49 [0,1,0,0,0,0|1,0,2]=4 168 B8R0.4 C=CCCOCCOC 022351562bd5b75ccdae2ce8a7420e05 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.4 C=CCCOCCSC e83f2d78c318b4d5cdd4b25f8f4a6571 [0,1,0,0,0,0|3,0,0]=4 170 B8R0.4 C=CCCOCOCC b8653c6722f9d17f50ddc249f7a52472 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.4 C=CCCOCSC#N ae2b899dce19f655897ad8b233ea45f1 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.4 C=CCNCCCC#N 8521448e28d98e46acf61325c1c4270c [0,1,0,0,0,0|2,0,1]=4 173 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [0,1,0,0,0,0|2,0,1]=4 174 B8R0.4 C=CCNCCCCCl 7aa8200102028ee39ddc7037de8d12db [0,1,0,0,0,0|2,0,1]=4 175 B8R0.4 C=CCNCCCCO 14862b294c4ab4be3b007c7c745e5432 [0,1,0,0,0,0|1,1,1]=4 176 B8R0.4 C=CCNCCCCS 48716fb5cc0bbebca36df7c37e5da77d [0,1,0,0,0,0|1,0,2]=4 177 B8R0.4 C=CCNCCCOC 923ce876ed91c87e8cbdf04842c12511 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.4 C=CCNCCCSC 2d032fa75f30b2a66e30d570a29670d9 [0,1,0,0,0,0|3,0,0]=4 179 B8R0.4 C=CCNCCOC=C 568feae345a6f2304f62265027e235a2 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.4 C=CCNCCOCC 0140e609049b0aacf5d7bcd5e635cff9 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.4 C=CCNCCSCC 608250712d81357a0c1b58128fe908dc [0,1,0,0,0,0|2,0,1]=4 182 B8R0.4 C=CCOCC/C=C/C bc48ee2476d8663884dff4b3e0a900ad [0,1,0,0,0,0|2,0,1]=4 183 B8R0.4 C=CCOCCC#CC 09a234cfc55c2d71abbdd65f3f1bffaf [0,1,0,0,0,0|2,0,1]=4 184 B8R0.4 C=CCOCCCC#N fbac1a9d5bf58d32ba9354cad3593c29 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.4 C=CCOCCCC=O 2fcafdb9cf3caf9087f3fbeee3f94cae [0,1,0,0,0,0|1,1,1]=4 186 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.4 C=CCOCCCCF 3ed7f37d0c490b735d4b7f46fe9299e9 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.4 C=CCOCCCCS 5ee463a1daba4f9e9a9624695a91cccc [0,1,0,0,0,0|1,0,2]=4 189 B8R0.4 C=CCOCCCOC 6cdd1cb4e7f2bc1ad50092d2e92d5ed9 [0,1,0,0,0,0|3,0,0]=4 190 B8R0.4 C=CCOCCCSC 5081ad9926844b88206c1580515c6c03 [0,1,0,0,0,0|3,0,0]=4 191 B8R0.4 C=CCOCCNC#N b751b036d3ecdfef3498b21587f509a2 [0,1,0,0,0,0|1,0,2]=4 192 B8R0.4 C=CCOCCNC=O a13a712516002455a972a45148278cc0 [0,1,0,0,0,0|0,1,2]=4 193 B8R0.4 C=CCOCCOC=C 181d1febeae8e97e01c4d9dfc8a4f948 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.4 C=CCOCCOC=O cc4c0fa320870fe6d6f693a921558628 [0,1,0,0,0,0|1,1,1]=4 195 B8R0.4 C=CCOCCOCC f2504b53763d9ba810aab3f8ab9269df [0,1,0,0,0,0|2,0,1]=4 196 B8R0.4 C=CCOCCOCF 06da768d0787925cdfed87b39ead52b1 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.4 C=CCOCCSCC 4edb0350a839460b0e73853c19953683 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.4 C=COCCCNC=O c27d07096dad07383a216346b3809247 [0,1,0,0,0,0|0,1,2]=4 199 B8R0.4 C=COCCCNCC d89071dcdb3acfadefaa437a059ee19e [0,1,0,0,0,0|1,0,2]=4 200 B8R0.4 C=COCCCNCF e07e5c3e606b8ffc18f594f94beea595 [0,1,0,0,0,0|1,0,2]=4 201 B8R0.4 C=COCCCNCO 7c4b3e65d98ea331ba11854946f4a847 [0,1,0,0,0,0|0,1,2]=4 202 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [0,1,0,0,0,0|2,0,1]=4 203 B8R0.4 CC=CCCCOCF 59b4e2ebe4d85f107158d06d4feb598f [0,1,0,0,0,0|2,0,1]=4 204 B8R0.6 C=CCCCN(C)C=O d5e163454d96a5cac685f2316e8ed7d5 [0,1,0,0,0,0|0,1,2]=4 205 B8R0.6 C=CCCCN(C)CC 1bec5e770716bf844a25a95ad899a7c4 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.6 C=CCCCN(C)CF e6af2ce76076b26c6389083a0013f3c7 [0,1,0,0,0,0|1,0,2]=4 207 B8R0.6 C=CCCCN(C)CO 60383a05b98647585562faefac549271 [0,1,0,0,0,0|0,1,2]=4 208 B8R0.7 C=C(C)CCCNC#N c612edd9bc2a53b37db122446edd9280 [0,1,0,0,0,0|1,0,2]=4 209 B8R0.7 C=C(C)CCCOCC 36ef5adff872f4dda81f11eae3241c37 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.7 C=C(C)CCCOCF 76264cef51d14a00e40692a03297067c [0,1,0,0,0,0|2,0,1]=4 211 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [0,1,0,0,0,0|0,1,2]=4 212 B8R0.7 C=CCCCNC(C)C 894cae9fc935a78c0b067be4248ffc85 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.7 C=CCCCOC(C)C 44f540e8992dd6ebc85c497ca5bd3da7 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.7 C=CCCOCC(=S)N 146693daf97f85e0c4cd1dc552035e17 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.7 C=CCNCCC(=S)N 96633c4e61869f0c77b5cb8536c5b906 [0,1,0,0,0,0|2,0,1]=4 216 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,0,0,1,0,0|2,0,1]=4 217 B8R1.8 FCOC1C=CCC1 9fec25c0ebf5ce1b96c88649717611cf [0,0,0,1,0,0|2,0,1]=4 218 B8R1.9 C=C1CC1COCC e60a01e41c746d08a053302fe8867db6 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.9 C=C1CC1COCF 2ec32cf386c3f6aa6cd63403e7b0f2a1 [0,0,0,1,0,0|2,0,1]=4 220 B7R0.4 C=CCOCC(=S)N ba93fb83f0b460be9ef282d71d1dd1c9 [1,1,0,0,0,0|1,0,1]=4 221 B9R0.2 C=C=CCCOCC(=C)Br d48295db605f63dc569b4091fa94d0a9 [0,2,0,0,0,0|2,0,0]=4 222 B9R0.2 C=C=CCCOCC(=C)C 7d3e29fec2d5dc578252cc4f5a9325fc [0,2,0,0,0,0|2,0,0]=4 223 B9R0.2 C=C=CCCOCC(=C)Cl dab5c24bd9b800005337538aaeb66dee [0,2,0,0,0,0|2,0,0]=4 224 B9R0.2 C=C=CCCOCC(=C)F 3e642c20b7ac417e64f6def33b77b4e3 [0,2,0,0,0,0|2,0,0]=4 225 B9R0.2 C=CCCCOCC(=S)N de65839f87390d20048f3ac1124239bc [0,2,0,0,0,0|1,0,1]=4 226 B9R0.2 C=CCCNCCC(=S)N 5fd368854993bb53b1400dc923807522 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.2 C=CCNCCNC(=S)N 2ba810ebb726f4110d851c046f3c37be [0,2,0,0,0,0|0,0,2]=4 228 B9R0.2 C=CCOCCNC(=S)N b11b635015cccf9b413b4185591898e2 [0,2,0,0,0,0|0,0,2]=4 229 B9R0.45 C=C=CCCOC/C=C/C 4fa6cca005b89b13528bc2a69e34abfb [0,2,0,0,0,0|2,0,0]=4 230 B9R0.45 C=C=CCCOC/C=C/Cl f76c627da2fc1abe8f1b2778c6f10c99 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.45 C=C=CCCOC/C=C\C cb64ce39b11e21273e62e07c21a9ba5f [0,2,0,0,0,0|2,0,0]=4 232 B9R0.45 C=C=CCCOC/C=C\Cl 7b801c860e0a16e907d2e7814df646f3 [0,2,0,0,0,0|2,0,0]=4 233 B9R0.45 C=C=CCCOCCC=C 30917a94801df7ace1eb143c66fd308f [0,2,0,0,0,0|2,0,0]=4 234 B9R0.45 C=CCOCCC=C=CC 6a3a4aa6820c7bd9e78da674df301706 [0,2,0,0,0,0|2,0,0]=4 235 B9R0.46 C=C=CCCOC(C)C=C 5d8dc72a163a7ae13d2bdace3baf87b7 [0,2,0,0,0,0|2,0,0]=4