0 B7R1.1 CCN1CCSC1 730634b8317de27b8a9a28fdabe291cf [0,1,0,0,0,0|2,0,0]=3 1 B7R1.1 FCN1CCSC1 280fb2e3c3c0e89c3fe1aee00c83a980 [0,1,0,0,0,0|2,0,0]=3 2 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [0,1,0,0,0,0|2,0,1]=4 3 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,1,0,0,0,0|1,0,0]=2 4 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [0,1,0,0,0,0|1,0,1]=3 5 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [0,0,1,0,0,0|2,0,1]=4 6 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [0,0,1,0,0,0|2,0,1]=4 7 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [0,0,1,0,0,0|1,1,1]=4 8 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [0,0,1,0,0,0|2,0,0]=3 9 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [0,0,1,0,0,0|2,0,1]=4 10 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [0,0,1,0,0,0|1,1,1]=4 11 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [0,0,1,0,0,0|2,0,1]=4 12 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [0,0,1,0,0,0|2,0,1]=4 13 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [0,0,1,0,0,0|2,0,1]=4 14 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [0,0,1,0,0,0|2,0,1]=4 15 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [0,0,1,0,0,0|1,0,2]=4 16 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [0,0,1,0,0,0|1,1,1]=4 17 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [0,0,1,0,0,0|1,1,1]=4 18 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [0,0,1,0,0,0|1,1,1]=4 19 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [0,0,1,0,0,0|0,2,1]=4 20 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [0,0,1,0,0,0|2,1,0]=4 21 B5R0.2 CSCNC#N dd90c86c89ce5a99a45720112f2e07ec [0,0,1,0,0,0|2,0,1]=4 22 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [0,0,1,0,0,0|3,0,0]=4 23 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [0,0,1,0,0,0|2,0,1]=4 24 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [0,0,1,0,0,0|3,0,0]=4 25 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [0,0,1,0,0,0|3,0,0]=4 26 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [0,0,1,0,0,0|3,0,0]=4 27 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [0,0,1,0,0,0|3,0,0]=4 28 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [0,0,1,0,0,0|3,0,0]=4 29 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [0,0,1,0,0,0|3,0,0]=4 30 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [0,0,1,0,0,0|3,0,0]=4 31 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,0,1,0,0,0|2,1,0]=4 32 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,1,0,0,0|2,0,0]=4 33 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,1,1,0,0,0|2,0,0]=4 34 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [0,1,1,0,0,0|2,0,0]=4 35 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,1,0,0,0|2,0,0]=4 36 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,1,0,0,0|1,1,0]=4 37 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,1,1,0,0,0|2,0,0]=4 38 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,1,1,0,0,0|1,0,1]=4 39 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,1,1,0,0,0|2,0,0]=4 40 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,1,1,0,0,0|2,0,0]=4 41 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,1,1,0,0,0|1,1,0]=4 42 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,1,1,0,0,0|1,1,0]=4 43 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,1,1,0,0,0|1,1,0]=4 44 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,1,1,0,0,0|0,1,1]=4 45 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,1,1,0,0,0|1,0,0]=3 46 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,1,1,0,0,0|0,1,0]=3 47 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,1,1,0,0,0|0,1,0]=3 48 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,1,1,0,0,0|1,0,1]=4 49 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,1,1,0,0,0|1,0,0]=3 50 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,1,1,0,0,0|1,0,0]=3 51 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,1,1,0,0,0|1,0,0]=3 52 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,1,1,0,0,0|0,1,0]=3 53 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,1,1,0,0,0|0,0,0]=2 54 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [0,1,1,0,0,0|1,0,1]=4 55 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,1,1,0,0,0|1,0,1]=4 56 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,1,1,0,0,0|1,0,0]=3 57 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,1,1,0,0,0|1,0,0]=3 58 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,1,1,0,0,0|2,0,0]=4 59 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,1,1,0,0,0|2,0,0]=4 60 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,1,1,0,0,0|0,1,0]=3 61 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,1,1,0,0,0|1,1,0]=4 62 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,1,1,0,0,0|1,1,0]=4 63 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,1,1,0,0,0|1,0,1]=4 64 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,1,1,0,0,0|2,0,0]=4 65 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,1,1,0,0,0|1,1,0]=4 66 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,1,1,0,0,0|1,1,0]=4 67 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,1,1,0,0,0|2,0,0]=4 68 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,1,1,0,0,0|1,1,0]=4 69 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,1,1,0,0,0|1,1,0]=4 70 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [0,1,1,0,0,0|1,0,1]=4 71 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [0,1,1,0,0,0|1,0,1]=4 72 B6R0.6 C#CCNCSC 69915d57a8223b03b8361fb9c38f7a03 [0,1,1,0,0,0|1,0,1]=4 73 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [0,1,1,0,0,0|0,1,1]=4 74 B6R0.6 C#CCOCSC 52002a13a3c2019ebe79ada1718575f3 [0,1,1,0,0,0|1,0,1]=4 75 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,1,1,0,0,0|1,1,0]=4 76 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,1,1,0,0,0|1,1,0]=4 77 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [0,1,1,0,0,0|1,0,1]=4 78 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,1,1,0,0,0|2,0,0]=4 79 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [0,1,1,0,0,0|2,0,0]=4 80 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,1,1,0,0,0|2,0,0]=4 81 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,1,1,0,0,0|1,1,0]=4 82 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [0,1,1,0,0,0|1,1,0]=4 83 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [0,1,1,0,0,0|2,0,0]=4 84 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,1,1,0,0,0|2,0,0]=4 85 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [0,1,1,0,0,0|2,0,0]=4 86 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [0,1,1,0,0,0|2,0,0]=4 87 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,1,1,0,0,0|2,0,0]=4 88 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [0,1,1,0,0,0|2,0,0]=4 89 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,1,1,0,0,0|1,1,0]=4 90 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [0,1,1,0,0,0|1,1,0]=4 91 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [0,1,1,0,0,0|1,1,0]=4 92 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [0,1,1,0,0,0|1,1,0]=4 93 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [0,1,1,0,0,0|1,0,1]=4 94 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,1,1,0,0,0|2,0,0]=4 95 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,1,1,0,0,0|1,1,0]=4 96 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,1,1,0,0,0|1,0,0]=3 97 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,1,1,0,0,0|1,0,0]=3 98 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,1,1,0,0,0|1,0,1]=4 99 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,1,1,0,0,0|0,1,0]=3 100 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,1,1,0,0,0|1,0,1]=4 101 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,1,1,0,0,0|1,0,1]=4 102 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [0,1,1,0,0,0|1,1,0]=4 103 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [0,1,1,0,0,0|1,1,0]=4 104 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,1,1,0,0,0|0,1,0]=3 105 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,1,1,0,0,0|1,0,1]=4 106 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [0,1,1,0,0,0|0,1,0]=3 107 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,1,1,0,0,0|0,1,0]=3 108 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [0,1,1,0,0,0|2,0,0]=4 109 B6R0.6 CSCCNC#N 600fd746ec0d58a2c56bd925339f8673 [0,1,1,0,0,0|1,0,1]=4 110 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,1,1,0,0,0|0,0,0]=2 111 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [0,1,1,0,0,0|1,0,1]=4 112 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [0,1,1,0,0,0|0,0,2]=4 113 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [0,1,1,0,0,0|1,0,1]=4 114 B6R0.6 CSCNCC#N 078cbee6de3daa83b37e1cc1437722ce [0,1,1,0,0,0|1,0,1]=4 115 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [0,1,1,0,0,0|1,0,1]=4 116 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [0,1,1,0,0,0|1,0,1]=4 117 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [0,1,1,0,0,0|1,0,1]=4 118 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [0,1,1,0,0,0|0,0,2]=4 119 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [0,1,1,0,0,0|0,1,1]=4 120 B6R0.6 CSCOCC#N 86a9322be62d2f60d6a769d9f5959c98 [0,1,1,0,0,0|1,0,1]=4 121 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [0,1,1,0,0,0|1,0,1]=4 122 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [0,1,1,0,0,0|0,1,1]=4 123 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [0,1,1,0,0,0|2,0,0]=4 124 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [0,1,1,0,0,0|1,0,1]=4 125 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [0,1,1,0,0,0|0,1,1]=4 126 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [0,1,1,0,0,0|1,0,1]=4 127 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [0,1,1,0,0,0|1,1,0]=4 128 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [0,1,1,0,0,0|0,1,0]=3 129 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,1,1,0,0,0|1,0,0]=3 130 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,1,1,0,0,0|1,0,0]=3 131 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,1,1,0,0,0|1,0,0]=3 132 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,1,1,0,0,0|1,0,0]=3 133 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,1,1,0,0,0|1,0,0]=3 134 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,1,1,0,0,0|0,1,0]=3 135 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,1,1,0,0,0|0,1,0]=3 136 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [0,1,1,0,0,0|2,0,0]=4 137 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,1,1,0,0,0|2,0,0]=4 138 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [0,1,0,0,1,0|2,0,0]=4 139 B6R1.6 FCN1CCC1 be36fe433e3b5fde99e14f4c177c697e [0,1,0,0,1,0|2,0,0]=4 140 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,1,0,0,1,0|1,0,0]=3 141 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [0,1,0,0,1,0|1,0,1]=4 142 B8R1.2 CCN1CCCSC1 94ac8411443cb0a4aa7db7b3767bc109 [0,1,0,0,0,1|2,0,0]=4 143 B8R1.2 CCN1CCSCC1 1b9658d9d2dd04d5c3441497757b0605 [0,1,0,0,0,1|2,0,0]=4 144 B8R1.2 FCN1CCCSC1 18b1e690d5a67e082a0e052f9650c2cd [0,1,0,0,0,1|2,0,0]=4 145 B8R1.2 FCN1CCSCC1 3fd57c8b0b453362bf0663a583869566 [0,1,0,0,0,1|2,0,0]=4 146 B8R1.2 O=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,1,0,0,0,1|2,0,0]=4 147 B8R1.2 O=CN1CCCOC1 f5641b081c81baeb630a926cccc2dad9 [0,1,0,0,0,1|1,1,0]=4 148 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [0,1,0,0,0,1|1,0,0]=3 149 B8R1.2 O=CN1CCOCC1 477872453b181b061009dc05da1525e4 [0,1,0,0,0,1|1,1,0]=4 150 B8R1.2 O=CN1CCSCC1 ef4056096863dc4bdb0fd1df8e6f14a0 [0,1,0,0,0,1|1,0,0]=3 151 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,1,0,0,0,1|1,0,1]=4 152 B8R1.2 OCN1CCSCC1 4d391d2b8bcebf873f589c97ea63c0e7 [0,1,0,0,0,1|1,0,1]=4 153 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,2,0,0,0,0|2,0,0]=4 154 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,2,0,0,0,0|2,0,0]=4 155 B8R1.1 CN1CCN(C1)C=O 8b7db25ff5974733ece4d3fc3a4817d7 [0,2,0,0,0,0|2,0,0]=4 156 B8R1.1 O=C1CN(CN1)CF f13f56dc757cd85272f424d9ac53fbce [0,2,0,0,0,0|2,0,0]=4 157 B8R1.1 O=C1CN(CN1)CO e561a9f6a1ffe109b2b8eed70763223f [0,2,0,0,0,0|2,0,0]=4 158 B8R1.1 O=CN1CCC(C1)F 96284cdc191c7cba11f6a402b8eb117c [0,2,0,0,0,0|2,0,0]=4 159 B8R1.1 O=CN1CCC(C1)O 36bb47eb3389f04fbd153dabfa4995ad [0,2,0,0,0,0|2,0,0]=4 160 B8R1.1 O=CN1CC[C@@H](C1)F 008cec7e125285aba69bdec89e8d8fbf [0,2,0,0,0,0|2,0,0]=4 161 B8R1.1 O=CN1CC[C@@H](C1)O 75171cfcb992bb0c611e45c07ca0c61c [0,2,0,0,0,0|2,0,0]=4 162 B8R1.1 O=CN1CC[C@H](C1)F 27a4a903f78fd10dcf90e00458f77a70 [0,2,0,0,0,0|2,0,0]=4 163 B8R1.1 O=CN1CC[C@H](C1)O 4d35040bdf5a1607b14717edf31c1dc0 [0,2,0,0,0,0|2,0,0]=4 164 B8R1.7 CC(=O)N1CCSC1 df98add89dd15161c9f678ec3ecd18ec [0,2,0,0,0,0|1,0,0]=3 165 B8R1.7 CC(C)N1CCSC1 cebe0382fd0e631f0755ac4b0a7eacba [0,2,0,0,0,0|2,0,0]=4 166 B8R1.8 C#CCN1CCSC1 a2598ea4e9dc91a277db96029979054c [0,2,0,0,0,0|2,0,0]=4 167 B8R1.8 C=CCN1CCSC1 c7bae508a3ddd5996edad585492313e9 [0,2,0,0,0,0|2,0,0]=4 168 B8R1.8 CCCN1CCSC1 4eb37c52d022d9b252d68ff1a2c12b91 [0,2,0,0,0,0|2,0,0]=4 169 B8R1.8 CCNC1CCSC1 aee8ffe16d160a5605af118e8c8a851c [0,2,0,0,0,0|1,0,1]=4 170 B8R1.8 CCOC1CCSC1 04aaf8fedcad347e8e4be0984e30209b [0,2,0,0,0,0|0,0,2]=4 171 B8R1.8 CCO[C@@H]1CCSC1 6024b564e26ca7e04d7b02930d2316cc [0,2,0,0,0,0|0,0,2]=4 172 B8R1.8 CCO[C@H]1CCSC1 2e0bfb0e7ce3291350197a8c174a6264 [0,2,0,0,0,0|0,0,2]=4 173 B8R1.8 COCN1CCSC1 1354a17cb52202250a85ab8a0568af11 [0,2,0,0,0,0|1,0,1]=4 174 B8R1.8 CSCN1CCSC1 9d3e3abde80ce9a8a19b07ba88ce837b [0,2,0,0,0,0|1,1,0]=4 175 B8R1.8 FCCN1CCSC1 6af16dfa6898a2480480632ee8bf7317 [0,2,0,0,0,0|2,0,0]=4 176 B8R1.8 FCNC1CCSC1 37f1dd3a90121407b902e1f5d50fa4ed [0,2,0,0,0,0|1,0,1]=4 177 B8R1.8 FCOC1CCSC1 f8f6f296ad6ade850e96ba039dea79ec [0,2,0,0,0,0|0,0,2]=4 178 B8R1.8 FCO[C@@H]1CCSC1 167bc92bd5239abe1a03b8937d910bee [0,2,0,0,0,0|0,0,2]=4 179 B8R1.8 FCO[C@H]1CCSC1 2d17ed5a52b01d81f24848fd9cde0e5b [0,2,0,0,0,0|0,0,2]=4 180 B8R1.8 N#CCN1CCSC1 01cfcb44ad21c4f3af06ec93ded0b82d [0,2,0,0,0,0|2,0,0]=4 181 B8R1.8 O=CCN1CCSC1 14861ad96d7cd5c90441f6d38859a442 [0,2,0,0,0,0|1,0,0]=3 182 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [0,2,0,0,0,0|1,0,1]=4 183 B8R1.8 O=CNC1CCOC1 e7b13204a0b810870373335ae06b13c2 [0,2,0,0,0,0|0,1,1]=4 184 B8R1.8 O=CNC1CCSC1 82c5edb5966e6ade7f67bb51f82f09ea [0,2,0,0,0,0|0,0,1]=3 185 B8R1.8 O=CN[C@@H]1CCOC1 8b6fe9f11693342d0eb8e36d1ad51ff3 [0,2,0,0,0,0|0,1,1]=4 186 B8R1.8 O=CN[C@H]1CCOC1 f295aedd4a6355b7f9c423148debde31 [0,2,0,0,0,0|0,1,1]=4 187 B8R1.8 OCCN1CCSC1 67a404917dcee6f4aa03a761c726b678 [0,2,0,0,0,0|1,0,1]=4 188 B8R1.8 OCNC1CCSC1 520716c40740b9955fcb51f1f158ca19 [0,2,0,0,0,0|0,0,2]=4 189 B8R1.8 SCCN1CCSC1 f1d337fb2e1392cc6e55ab3e453d1142 [0,2,0,0,0,0|1,1,0]=4 190 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,2,0,0,0,0|2,0,0]=4 191 B8R1.11 CC1SCCN1C=O a4140bf0d296ba848f3453d4bea5de05 [0,2,0,0,0,0|1,0,0]=3 192 B8R1.11 CC1SCCN1CF 1a8381f1c2fe5a108b794e80a5ee4e38 [0,2,0,0,0,0|2,0,0]=4 193 B8R1.11 CC1SCCN1CO b0a76bbb389aad74120dd519ae652ff1 [0,2,0,0,0,0|1,0,1]=4 194 B8R1.11 CCN1CCSC1C 6a56b5c1b50abad68d5899af3448227e [0,2,0,0,0,0|2,0,0]=4 195 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,2,0,0,0,0|2,0,0]=4 196 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,2,0,0,0,0|2,0,0]=4 197 B8R1.11 O=CN1CCCC1O a26ec465eebf98c295c9d7f5c4bb6e0a [0,2,0,0,0,0|2,0,0]=4