0 B8R0.4 C#CCCCNCSC d1e7b7c6307a3a2fb9a77e08eeaa2e5c [0,0,0,0,0,0|3,0,1]=4 1 B8R0.4 C#CCCCOCSC ae525969ae73c6cf3e73e0df8becf565 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.4 C#CCCNCCSC 0ffb0f65d63792827dae550b83359c51 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.4 C#CCCOCCSC 25dc589773d3fea7b865bb1dd21ccf91 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.4 C#CCNCCCSC 2b3cc08e7dbd0ca3e268d49f603a07e3 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.4 C#CCOCCCSC c0dc8fd7c85c36ff30d96e54057fe426 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.4 C/C=C/CCOCSC 6a0ae094543a86afd6da523cd0f1869d [0,0,0,0,0,0|3,0,1]=4 7 B8R0.4 C/C=C/CNCCSC 01a3d625f870207109c9c7b543ad0c2f [0,0,0,0,0,0|3,0,1]=4 8 B8R0.4 C/C=C/COCCSC 0e33f377959f752365d583ff90505be8 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.4 C/C=C\CNCCSC b860ce8f423a896cb68f33ac1abfe292 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.4 C/C=C\COCCSC 56999da5f26ee69516587b92c53efdf2 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.4 C=C=CCCOCCC 9ed5c65e92b9c5d3410261fc24bf2400 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.4 C=C=CCCOCOC e24b81246032baf9568f4ee87007f7e8 [0,0,0,0,0,0|3,1,0]=4 13 B8R0.4 C=C=CCCOCSC c4ece8fa09205945e5a934f8cda688d9 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.4 C=CCCCNCSC 2d25245ea1d2bd3af11d66f6de12b1b9 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.4 C=CCCCOCSC 7dc13b8df2da34a1b6ef8defe10e2334 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.4 C=CCCNCCSC edc60d95e6e1f18c1ede12af162c8143 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.4 C=CCCOCCSC e83f2d78c318b4d5cdd4b25f8f4a6571 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.4 C=CCNCCCSC 2d032fa75f30b2a66e30d570a29670d9 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.4 C=CCOCCCSC 5081ad9926844b88206c1580515c6c03 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.4 C=COCCNCSC c600bc4155cdfab00718c182a1d908ce [0,0,0,0,0,0|3,0,1]=4 21 B8R0.4 C=COCCOCSC 1542023f7ad8f1a42415fe567facda9d [0,0,0,0,0,0|3,0,1]=4 22 B8R0.4 CC#CCCOCSC 80b74f8165d1731d8886dd6019bd5d5a [0,0,0,0,0,0|3,0,1]=4 23 B8R0.4 CC#CCNCCSC c78912118862da66915f570da9443650 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.4 CC#CCOCCSC 54026a423507e76e264159ea1eeff91a [0,0,0,0,0,0|3,0,1]=4 25 B8R0.4 CC=CCNCCSC 0622283f77c317bcb57152a39bdf501a [0,0,0,0,0,0|3,0,1]=4 26 B8R0.4 CC=CCOCCSC 2614ef02e181335c400b64f125bf5a8f [0,0,0,0,0,0|3,0,1]=4 27 B8R0.4 CCCCCCNC#N bb02e52ec524ebcb56f04e4bf9b34243 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [0,0,0,0,0,0|1,1,2]=4 29 B8R0.4 CCCCCCNCC 007e02c518c21b960782cd7d67a6f9d7 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.4 CCCCCCNCF fcc33172a41ee2d3e601afc70a912863 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [0,0,0,0,0,0|1,1,2]=4 32 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [0,0,0,0,0,0|3,0,1]=4 33 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [0,0,0,0,0,0|3,0,1]=4 35 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [0,0,0,0,0,0|3,0,1]=4 36 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [0,0,0,0,0,0|3,0,1]=4 37 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.4 CCNCCCCOC 2651322fa047b3732accc75cc3da11da [0,0,0,0,0,0|1,1,2]=4 41 B8R0.4 CCNCCCCSC 49c922b465a04d36e231bfa2a39a115f [0,0,0,0,0,0|1,0,2]=3 42 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [0,0,0,0,0,0|2,1,1]=4 43 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [0,0,0,0,0,0|2,0,1]=3 44 B8R0.4 CCOCCNCSC faf7d87d17bed0e69a82a0518e7badde [0,0,0,0,0,0|3,0,1]=4 45 B8R0.4 CCOCCOCSC 7ad27a18099c3a18c7e8e4cf515a46f8 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.4 CCOCNCCSC 509d8fa68985dc90690e2d13fc7300ad [0,0,0,0,0,0|3,0,1]=4 47 B8R0.4 CCOCOCCSC 3f3114cecfa98dec8bb03a76fc9713ef [0,0,0,0,0,0|3,0,1]=4 48 B8R0.4 CCSCCNCSC b0c46754255ec2c693a9e6adb052bc76 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.4 CCSCCOCSC c28324caa69bb59277d280a61ae231b9 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.4 COCCCCNC#N 70fc41cf1abf143f82bd4ce3f422312e [0,0,0,0,0,0|1,1,2]=4 51 B8R0.4 COCCCCNC=O 6e2b3dcc61de1f0bdb65d861415360be [0,0,0,0,0,0|0,2,2]=4 52 B8R0.4 COCCCCNCF 02b595b8665bf6ad2985079f7ac0aeb1 [0,0,0,0,0,0|1,1,2]=4 53 B8R0.4 COCCCCNCO 51786f99381d54403ea46d9383ba40cc [0,0,0,0,0,0|0,2,2]=4 54 B8R0.4 COCCCCOCF e815a6c287695e1a636002d6644f305e [0,0,0,0,0,0|2,1,1]=4 55 B8R0.4 COCCCNCSC 34103b32fb2b435f93bb60eae590bae7 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.4 COCCCOCSC 2202eb2dedd91ff1a10fe1f6f7568624 [0,0,0,0,0,0|4,0,0]=4 57 B8R0.4 COCCNCCSC 7d0bd0eb01a04e8d98cec69926dd8601 [0,0,0,0,0,0|4,0,0]=4 58 B8R0.4 COCCOCCSC 2ea3de8cee6b9690728878a6623f0d14 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.4 COCNCCCSC dd08c33d09a480e39d47befa4ecf03be [0,0,0,0,0,0|4,0,0]=4 60 B8R0.4 COCOCCCSC 06d84955d844cdd7598946b8ec70b891 [0,0,0,0,0,0|4,0,0]=4 61 B8R0.4 CSCCCCNC=O c239594501a90b4a128618f0c7081c5b [0,0,0,0,0,0|0,1,2]=3 62 B8R0.4 CSCCCCNCF 4c4e5a07a28e7083039da3f830ae7f8b [0,0,0,0,0,0|1,0,2]=3 63 B8R0.4 CSCCCCNCO ae40ab4fa2d5d94966b509e075b958da [0,0,0,0,0,0|0,1,2]=3 64 B8R0.4 CSCCCCOCF d0c2f220ea9615e6564739bdaf4f26d6 [0,0,0,0,0,0|2,0,1]=3 65 B8R0.4 CSCCCNCC#N 165f98d70570f4cd41fba0a703555e9a [0,0,0,0,0,0|3,0,1]=4 66 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [0,0,0,0,0,0|2,1,1]=4 67 B8R0.4 CSCCCNCCBr ec30ffe3efe83d19772fd6614be31bd8 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.4 CSCCCNCCF 6f018acead4e0a919452137a7c9a80a1 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.4 CSCCCNCCI 8c8c909e1474133444db1bac85a84a9a [0,0,0,0,0,0|3,0,1]=4 70 B8R0.4 CSCCCNCCO e9c80523ec93ea29d1d50e3a2efe78d7 [0,0,0,0,0,0|2,1,1]=4 71 B8R0.4 CSCCCNCCS 8ce9f273694c24dbd57fe73a35b16b29 [0,0,0,0,0,0|2,0,2]=4 72 B8R0.4 CSCCCNCSC 2e8eee202d05aa3bc152533086d2bdc9 [0,0,0,0,0,0|4,0,0]=4 73 B8R0.4 CSCCCOCC#N 2fbd9bf4e4745921ff33d7c46874a328 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [0,0,0,0,0,0|2,1,1]=4 75 B8R0.4 CSCCCOCCF 05935ee408f5ed062eac02bc9adf2239 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.4 CSCCCOCCS 65d497f29e41e59af616450de8429e8f [0,0,0,0,0,0|2,0,2]=4 77 B8R0.4 CSCCCOCSC 2c634a852737da83c464a5d2f75b1867 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.4 CSCCNC/C=C/Cl 823a1a5b76c19d884fb910b8f19886f1 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.4 CSCCNC/C=C\Cl f80b9aaf0cbd8ef0882811815e458c7f [0,0,0,0,0,0|3,0,1]=4 80 B8R0.4 CSCCNC/C=C\O 681ef3c26cbbe7632f3156f1e9d2b2b7 [0,0,0,0,0,0|2,1,1]=4 81 B8R0.4 CSCCNCCC#N a0acae4cf5595d98d145d1c7ad0cdff1 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.4 CSCCNCCC=O 6a9c051f85f5257fb975b52def5686c5 [0,0,0,0,0,0|2,1,1]=4 83 B8R0.4 CSCCNCCCCl 1f4101fe1ec24a54d0ea6acb8573e243 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.4 CSCCNCCCF f53acefc1edd8627e32fbf30143c90b6 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.4 CSCCNCCCO f6b1a735d91925126b38940200756072 [0,0,0,0,0,0|2,1,1]=4 86 B8R0.4 CSCCNCCCS 5171e38a3e08bf443c2f699310fbb378 [0,0,0,0,0,0|2,0,2]=4 87 B8R0.4 CSCCNCCON 429f16b13efc7d47f0a72891cf3ff27d [0,0,0,0,0,0|4,0,0]=4 88 B8R0.4 CSCCNCCSC 57345ae8e07bcb6fff27e2411c649483 [0,0,0,0,0,0|4,0,0]=4 89 B8R0.4 CSCCNCSC#N f0b056db023fc660557be249e2da064f [0,0,0,0,0,0|3,0,1]=4 90 B8R0.4 CSCCOC/C=C/Cl ff46031a26aca11a99b4c0ad47b71629 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.4 CSCCOC/C=C\Cl 3fb958b2d5eab9dcd67ee5a0e02a9ab0 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.4 CSCCOCC#CI ce5d5ceed8257d05e5b9f55277bfa9e2 [0,0,0,0,0,0|3,0,1]=4 93 B8R0.4 CSCCOCC=CCl ae6553f496d4bb6713fe0851b7f2486d [0,0,0,0,0,0|3,0,1]=4 94 B8R0.4 CSCCOCCC#N 8f26ba09caeb7d07b3d9a153be269494 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.4 CSCCOCCC=O b536dffbb68d78cf6840eddbe6be827c [0,0,0,0,0,0|2,1,1]=4 96 B8R0.4 CSCCOCCCF c4f56b1418ae54daefa5d31019c39624 [0,0,0,0,0,0|3,0,1]=4 97 B8R0.4 CSCCOCCCS e9c2f3d41d67f2884f7bb3c015eec079 [0,0,0,0,0,0|2,0,2]=4 98 B8R0.4 CSCCOCCSC 319db587b15ff2fca575f74e80b6b241 [0,0,0,0,0,0|4,0,0]=4 99 B8R0.4 CSCCOCSC#N b0e8097cd7171b01f502d6b2451628a9 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.4 CSCNCCCC#N cec4adb0696a70e08df2d4885f4d5d2e [0,0,0,0,0,0|3,0,1]=4 101 B8R0.4 CSCNCCCCCl ef4dfe5dd6050805aa5f8da802adda02 [0,0,0,0,0,0|3,0,1]=4 102 B8R0.4 CSCNCCCCO a8527b20316a926f95cc7546183714ca [0,0,0,0,0,0|2,1,1]=4 103 B8R0.4 CSCNCCCCS 6be46d2b0b77c91914b6412036e1731e [0,0,0,0,0,0|2,0,2]=4 104 B8R0.4 CSCOCCCC#N 12f87b6804b2073241cb6cdbc0b38137 [0,0,0,0,0,0|3,0,1]=4 105 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [0,0,0,0,0,0|2,1,1]=4 106 B8R0.4 CSCOCCCCF 02a4eb12d2b76c8014e2d98697a6f3b3 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.4 CSCOCCCCS 973c96e0004f71ffadd877ed13fe3fbf [0,0,0,0,0,0|2,0,2]=4 108 B8R0.4 CSCOCCNC=O 06cab0f55d10d488e369b65237bc7019 [0,0,0,0,0,0|1,1,2]=4 109 B8R0.4 CSCOCCOC=O 6b8870cbaaae325b360a7cd8be5fab08 [0,0,0,0,0,0|2,1,1]=4 110 B7R0.1 C#CCCNCSC 24780502d7fb634d7ea44608e3cda9c1 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.1 C#CCCOCSC 7be39892afd4ef79dc2d978280d82788 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.1 C#CCNCCSC 7293bf2b9aa9b78de8f9c249a2d32afe [1,0,0,0,0,0|2,0,1]=4 113 B7R0.1 C#CCOCCSC 435ea744643c84b597b66146e288d476 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [1,0,0,0,0,0|3,0,0]=4 115 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [1,0,0,0,0,0|2,0,1]=4 119 B7R0.1 CCCCCNC#N 3741c8bad86bab083bc5d0a30e6bddc8 [1,0,0,0,0,0|1,0,2]=4 120 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [1,0,0,0,0,0|0,1,2]=4 121 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [1,0,0,0,0,0|1,0,2]=4 122 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [1,0,0,0,0,0|1,0,2]=4 123 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [1,0,0,0,0,0|0,1,2]=4 124 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [1,0,0,0,0,0|2,0,1]=4 129 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [1,0,0,0,0,0|1,0,2]=4 131 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [1,0,0,0,0,0|1,0,2]=4 132 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [1,0,0,0,0,0|2,0,1]=4 133 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [1,0,0,0,0,0|2,0,1]=4 134 B7R0.1 COCCNCSC 72ab39c075daf29b6ecad1caa1c97854 [1,0,0,0,0,0|2,0,1]=4 135 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.1 COCNCCSC 006b3262e1fae93890055c509edc01aa [1,0,0,0,0,0|2,0,1]=4 137 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [1,0,0,0,0,0|2,0,1]=4 138 B7R0.1 CSCCCNC#N 29e7c3d9663c361da4f524d97528f957 [1,0,0,0,0,0|1,0,2]=4 139 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [1,0,0,0,0,0|0,1,2]=4 140 B7R0.1 CSCCCNCF 64d1184992451aa1884493fe4b590a70 [1,0,0,0,0,0|1,0,2]=4 141 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [1,0,0,0,0,0|0,1,2]=4 142 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.1 CSCCNCC#N ca692066b238f6a34d0bef0e2933c568 [1,0,0,0,0,0|2,0,1]=4 144 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [1,0,0,0,0,0|1,1,1]=4 145 B7R0.1 CSCCNCCBr 0df0dd2a1b52ee00d918cc43b8e9fbfc [1,0,0,0,0,0|2,0,1]=4 146 B7R0.1 CSCCNCCF 1052905f572f53fc13be5d31c94895b3 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.1 CSCCNCCI 071ae319a95453665d95a4320be239f1 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [1,0,0,0,0,0|1,1,1]=4 149 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [1,0,0,0,0,0|1,0,2]=4 150 B7R0.1 CSCCNCSC c95d7134a711d4b488bdbefe6ca5bba2 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.1 CSCCOCC#N 60b29e5b38003acb06d04b0849bbc3aa [1,0,0,0,0,0|2,0,1]=4 152 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [1,0,0,0,0,0|1,1,1]=4 153 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [1,0,0,0,0,0|1,0,2]=4 155 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.1 CSCNCCC#N eb7c18cf854451f5500c3dd1bd6398f5 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.1 CSCNCCCCl 51dabe46130ddcc5de8ce75223aaf6fb [1,0,0,0,0,0|2,0,1]=4 158 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [1,0,0,0,0,0|1,1,1]=4 159 B7R0.1 CSCNCCON f945713b8e9f4296ef67e0e0bee29bdc [1,0,0,0,0,0|3,0,0]=4 160 B7R0.1 CSCOCCC#N 49194787fe7da60bddbd554c64dc7b5a [1,0,0,0,0,0|2,0,1]=4 161 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [1,0,0,0,0,0|1,1,1]=4 162 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [1,0,0,0,0,0|2,0,1]=4 163 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [1,0,0,0,0,0|1,0,2]=4 164 B7R0.1 FCNCCCCS 20de7e7c5ad02c9ab73f0feca6604233 [1,0,0,0,0,0|1,0,2]=4 165 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [1,0,0,0,0,0|2,0,1]=4 166 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [1,0,0,0,0,0|0,1,2]=4 167 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [1,0,0,0,0,0|0,1,2]=4 168 B9R0.2 CSCCCCNC(=O)C fe724d5efdffb6641eb31ec001ed77cf [0,1,0,0,0,0|0,1,2]=4 169 B9R0.2 CSCCCCNC(C)C 89272abc2319549271708a10b3af78bf [0,1,0,0,0,0|1,0,2]=4 170 B9R0.2 CSCCCCOC(C)C 2ad90a573f22b9281a43606f86023650 [0,1,0,0,0,0|2,0,1]=4 171 B9R0.2 CSCCCOCC(=S)N a2b0801751a8138d1ac189d672136fd8 [0,1,0,0,0,0|2,0,1]=4 172 B9R0.2 CSCCNCCC(=S)N 4fef1bf71d23c53fe5d79854811db0b2 [0,1,0,0,0,0|2,0,1]=4 173 B9R0.2 CSCNCCNC(=S)N 0381228f17255f02ce8ba9e5ae79429e [0,1,0,0,0,0|1,0,2]=4 174 B9R0.2 CSCOCCNC(=S)N a9252a3c1ca7ab558f81564e2205c5db [0,1,0,0,0,0|1,0,2]=4 175 B9R0.45 C#CCCCCNCSC 701e632eda38af8628caf2a55a4c577c [0,1,0,0,0,0|2,0,1]=4 176 B9R0.45 C#CCCCCOCSC 7a56ff5d2c27a727eb72615953cc492b [0,1,0,0,0,0|2,0,1]=4 177 B9R0.45 C#CCCCNCCSC 1ae5f23074564eb6d90719936871e6a4 [0,1,0,0,0,0|2,0,1]=4 178 B9R0.45 C#CCCCOCCSC 8b9a0cc0f155bf0188de34dcab72a447 [0,1,0,0,0,0|2,0,1]=4 179 B9R0.45 C#CCCNCCCSC 780c556e3598594540576f7056bf5b6e [0,1,0,0,0,0|2,0,1]=4 180 B9R0.45 C#CCCOCCCSC 3b716fc623c2d640413988b229b18b88 [0,1,0,0,0,0|2,0,1]=4 181 B9R0.45 C#CCNCCCCSC 97bcad6fc009d6178c1c2d7d1d0660df [0,1,0,0,0,0|1,0,2]=4 182 B9R0.45 C#CCOCCCCSC 225a843462dc3e1a46bff372c37a9074 [0,1,0,0,0,0|2,0,1]=4 183 B9R0.45 C/C=C/CCCOCSC db1d7c1677d94ff35c368616b2e8cdba [0,1,0,0,0,0|2,0,1]=4 184 B9R0.45 C/C=C/CCOCCSC 2d38818cd58c8496cbe29fdb8c8df6f6 [0,1,0,0,0,0|2,0,1]=4 185 B9R0.45 C/C=C/CNCCCSC a0c3ea3106200fc97b7a508253b676e7 [0,1,0,0,0,0|2,0,1]=4 186 B9R0.45 C/C=C/COCCCSC 3e859da376a456131ea6c3009e2e9528 [0,1,0,0,0,0|2,0,1]=4 187 B9R0.45 C/C=C\CCCOCSC 06123fa9e675d4006d38ffd2014f2008 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.45 C/C=C\CNCCCSC cc9fe3e4ecf87d5e0af0a89dd0b9be85 [0,1,0,0,0,0|2,0,1]=4 189 B9R0.45 C/C=C\COCCCSC 0b7bc762f4b85e8dd03675e638fdc3a7 [0,1,0,0,0,0|2,0,1]=4 190 B9R0.45 C=C=CCCOCCCC 5bd6b2c5c25cc2126ad420d63c19c871 [0,1,0,0,0,0|3,0,0]=4 191 B9R0.45 C=C=CCCOCCOC 2f73065aed8e0eff7d3149ecfddebc3a [0,1,0,0,0,0|2,1,0]=4 192 B9R0.45 C=C=CCCOCCSC 3195f535d75753998c906fda4d23644b [0,1,0,0,0,0|2,0,0]=3 193 B9R0.45 C=CCCCCNCSC 12aaafcb136d8a0d0bd01b0db509102e [0,1,0,0,0,0|2,0,1]=4 194 B9R0.45 C=CCCCCOCSC 195324d17fdf202ccef6359b6b5e3bb9 [0,1,0,0,0,0|2,0,1]=4 195 B9R0.45 C=CCCCNCCSC 835ee46189c1f88d4cdbdcc67650ffcb [0,1,0,0,0,0|2,0,1]=4 196 B9R0.45 C=CCCCOCCSC 27b8b1769c1651eaa64484ccb85191f8 [0,1,0,0,0,0|2,0,1]=4 197 B9R0.45 C=CCCNCCCSC 82fa4646237d709aa853365c812d6ebb [0,1,0,0,0,0|2,0,1]=4 198 B9R0.45 C=CCCOCCCSC a45023388d7b0125e3891a4f7bb25903 [0,1,0,0,0,0|2,0,1]=4 199 B9R0.45 C=CCNCCCCSC cb376474ea5d0373c451927e013a14c9 [0,1,0,0,0,0|1,0,2]=4 200 B9R0.45 C=CCOCCCCSC d6f879632d2f8647ad8df3191aa8d592 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.45 C=COCCCNCSC 1218193fde8f5b9da4d83a81f4ceeacd [0,1,0,0,0,0|2,0,1]=4 202 B9R0.45 C=COCCNCCSC 0eb4df1ced90f3cd2e7965b4838f2c42 [0,1,0,0,0,0|2,0,1]=4 203 B9R0.45 C=COCCOCCSC 711c9866788c25cca93044aa576a1794 [0,1,0,0,0,0|2,0,1]=4 204 B9R0.45 CC#CCCCOCSC ecc531ccaf34d3fa68639ec75e3b8005 [0,1,0,0,0,0|2,0,1]=4 205 B9R0.45 CC#CCCOCCSC f07dfe2e9ed293bc55dcaa0fe5d60424 [0,1,0,0,0,0|2,0,1]=4 206 B9R0.45 CC#CCNCCCSC fbd76e9c8ac60d2cdedfecdbf36c3a8d [0,1,0,0,0,0|2,0,1]=4 207 B9R0.45 CC#CCOCCCSC d9e5825f85680e29700661b0f5f5bc30 [0,1,0,0,0,0|2,0,1]=4 208 B9R0.45 CC=C=CCCOCSC ae8fce4b63d77d7396911ec1d096cd81 [0,1,0,0,0,0|3,0,0]=4 209 B9R0.45 CC=CCCCOCSC a1d08f1eea46f54aa4275162125103ce [0,1,0,0,0,0|2,0,1]=4 210 B9R0.45 CC=CCNCCCSC 1f53d026b2687eb5d595941ef6929c04 [0,1,0,0,0,0|2,0,1]=4 211 B9R0.45 CC=CCOCCCSC 931be6d2224eec3dcf1624c2b5a2a6e2 [0,1,0,0,0,0|2,0,1]=4 212 B9R0.45 CCCCCCNCSC 26b8d5c53ba2ffb7a0ad7aeefcef29cb [0,1,0,0,0,0|2,0,1]=4 213 B9R0.45 CCCCCCOCSC ea8aeb7aec2e44107948b184f1a2484b [0,1,0,0,0,0|2,0,1]=4 214 B9R0.45 CCCCCNCCSC 738dc92cc1ee7c68b53e333bc3c1249e [0,1,0,0,0,0|2,0,1]=4 215 B9R0.45 CCCCCOCCSC 35787b22863a0bdd2a717cb23597facb [0,1,0,0,0,0|2,0,1]=4 216 B9R0.45 CCCCNCCCSC 1307aea73f697be7347c70961c337c72 [0,1,0,0,0,0|2,0,1]=4 217 B9R0.45 CCCCOCCCSC 62b74f8edfba0d3c5255c58121a65cb5 [0,1,0,0,0,0|2,0,1]=4 218 B9R0.45 CCCNCCCCSC 83af594d195aec376428f00fc6e6852d [0,1,0,0,0,0|1,0,2]=4 219 B9R0.45 CCCOCCCCSC 28df677e6e1829a07cbf3784e5a5b453 [0,1,0,0,0,0|2,0,1]=4 220 B9R0.45 CCNCCCCSCC f8cf53852eae5c1d0e62790a5b5787e1 [0,1,0,0,0,0|1,0,2]=4 221 B9R0.45 CCOCCCNCSC 126e855ddfd6af8b2015b4bcfbadb9a3 [0,1,0,0,0,0|2,0,1]=4 222 B9R0.45 CCOCCCOCSC 5933fe00c4fae79c8d73e60929d6345a [0,1,0,0,0,0|2,0,1]=4 223 B9R0.45 CCOCCNCCSC aba0090a72e2c2a08c16d1f995164dc4 [0,1,0,0,0,0|2,0,1]=4 224 B9R0.45 CCOCCOCCSC 507e29f582b578a744efa276a08afe49 [0,1,0,0,0,0|2,0,1]=4 225 B9R0.45 CCOCNCCCSC e0a66c2e55e14dad277d7193b451e432 [0,1,0,0,0,0|2,0,1]=4 226 B9R0.45 CCOCOCCCSC cdc0b01600dd841ed7ed121efe03e346 [0,1,0,0,0,0|2,0,1]=4 227 B9R0.45 CCSCCCCNC=O e3da595d950c9d5eba0c543529449821 [0,1,0,0,0,0|0,1,2]=4 228 B9R0.45 CCSCCCCNCF d0ffe0fef83ebc9d8946061c82c152d3 [0,1,0,0,0,0|1,0,2]=4 229 B9R0.45 CCSCCCCNCO b5317d3d243e051b414811fd9803b081 [0,1,0,0,0,0|0,1,2]=4 230 B9R0.45 CCSCCCOCSC c724d727513d8badfd80e3cc53a1bf48 [0,1,0,0,0,0|2,0,1]=4 231 B9R0.45 CCSCCNCCSC eabdf826a471ef5724857c4f4906685a [0,1,0,0,0,0|2,0,1]=4 232 B9R0.45 CCSCCOCCSC dff42bcd24538ed6968a0ea75d545350 [0,1,0,0,0,0|2,0,1]=4 233 B9R0.45 COCCCCNCSC 5c83e7734059a90ac65b14037a0640f2 [0,1,0,0,0,0|3,0,0]=4 234 B9R0.45 COCCCCOCSC b96665b11f1788b8d409908b6cf086a3 [0,1,0,0,0,0|3,0,0]=4 235 B9R0.45 COCCCNCCSC 6bbd1571862ae642047d09ba11e4e807 [0,1,0,0,0,0|3,0,0]=4 236 B9R0.45 COCCCOCCSC 548dd75bb9b1b4662b5fbabbfd265b58 [0,1,0,0,0,0|3,0,0]=4 237 B9R0.45 COCCNCCCSC 5acc6518722dda23f0e833b75bcb4d43 [0,1,0,0,0,0|3,0,0]=4 238 B9R0.45 COCCOCCCSC dab5475c0c46b9f6c0451d35e0188c9a [0,1,0,0,0,0|3,0,0]=4 239 B9R0.45 COCNCCCCSC 3efcc2c8f87ad2a9616d23644d1eec36 [0,1,0,0,0,0|0,1,2]=4 240 B9R0.45 COCOCCCCSC 5a8925a203895139b02568d02e8838f1 [0,1,0,0,0,0|1,1,1]=4 241 B9R0.45 CSCCCCNCC#N c7ca8a317de65b8c1f3529327a3480b3 [0,1,0,0,0,0|1,0,2]=4 242 B9R0.45 CSCCCCNCC=O ceb16b1926dbac74a0dccfe6e9c90c38 [0,1,0,0,0,0|0,1,2]=4 243 B9R0.45 CSCCCCNCCF eb4285f3465d50eb1499c52088cbf457 [0,1,0,0,0,0|1,0,2]=4 244 B9R0.45 CSCCCCNCCO 71aec6063e81fccb3b9166d912cdd51e [0,1,0,0,0,0|0,1,2]=4 245 B9R0.45 CSCCCCNCCS 682e8882989090aad15ae2199ea00079 [0,1,0,0,0,0|0,0,3]=4 246 B9R0.45 CSCCCCNCSC 9004b0297f052132bc439104f557fc1a [0,1,0,0,0,0|0,0,3]=4 247 B9R0.45 CSCCCCOCC#N 4ab88cc0a26ae35d5aff39bc018b3a26 [0,1,0,0,0,0|2,0,1]=4 248 B9R0.45 CSCCCCOCC=O c382918f846eeb37fed2c51c97422532 [0,1,0,0,0,0|1,1,1]=4 249 B9R0.45 CSCCCCOCCF aac887e51d5db9e5aa39f268153a3254 [0,1,0,0,0,0|2,0,1]=4 250 B9R0.45 CSCCCCOCCS 33de980d5fadef5f1403ffcc395bac65 [0,1,0,0,0,0|1,0,2]=4 251 B9R0.45 CSCCCCOCSC 417291c6267fa98c1c8e9917f938c6b4 [0,1,0,0,0,0|1,0,2]=4 252 B9R0.45 CSCCCNC/C=C/Cl 26147ee23fcbb7edc468c63248b74796 [0,1,0,0,0,0|2,0,1]=4 253 B9R0.45 CSCCCNC/C=C\Cl a744ad4beb89314a8ce5ae94bd950539 [0,1,0,0,0,0|2,0,1]=4 254 B9R0.45 CSCCCNC/C=C\O e7fdc99181aca5fb372020cfd9c7eca5 [0,1,0,0,0,0|1,1,1]=4 255 B9R0.45 CSCCCNCCC#N f059cea59380bc5811ad49a4c94a3714 [0,1,0,0,0,0|2,0,1]=4 256 B9R0.45 CSCCCNCCC=O d38fed5441cd6c2e041c6d8986238557 [0,1,0,0,0,0|1,1,1]=4 257 B9R0.45 CSCCCNCCCCl 7f4c78f16ac095cee3176ca12fcee4a0 [0,1,0,0,0,0|2,0,1]=4 258 B9R0.45 CSCCCNCCCF 4052620c5bdf251b957b5f3bde50156a [0,1,0,0,0,0|2,0,1]=4 259 B9R0.45 CSCCCNCCCO 28a7baa82e21352faa8b2b7ae1ad9e7c [0,1,0,0,0,0|1,1,1]=4 260 B9R0.45 CSCCCNCCCS 97057dd7d935d2f95b3ee1000cbb184d [0,1,0,0,0,0|1,0,2]=4 261 B9R0.45 CSCCCNCCON 6126a4c2e6e275cfdd0a038c21356ed1 [0,1,0,0,0,0|3,0,0]=4 262 B9R0.45 CSCCCNCCSC 2f06fa7b97b4146d991f471dbf0a7c93 [0,1,0,0,0,0|3,0,0]=4 263 B9R0.45 CSCCCNCSC#N f6356d084a324f005416813aaffc2e01 [0,1,0,0,0,0|2,0,1]=4 264 B9R0.45 CSCCCOC/C=C/Cl 953110c37c8f1d696f3b3d249468310d [0,1,0,0,0,0|2,0,1]=4 265 B9R0.45 CSCCCOC/C=C\Cl e6fa9fc6ddc50d0b38473ef87e87ee22 [0,1,0,0,0,0|2,0,1]=4 266 B9R0.45 CSCCCOCC#CI 70b1ff67bfba9465d11785df211eb4cc [0,1,0,0,0,0|2,0,1]=4 267 B9R0.45 CSCCCOCC=CCl 3c527ae5a2db076ec65c9486dca2bfef [0,1,0,0,0,0|2,0,1]=4 268 B9R0.45 CSCCCOCCC#N 69d7956b0d843aa67dc433be64c64a1c [0,1,0,0,0,0|2,0,1]=4 269 B9R0.45 CSCCCOCCC=O 8295bf8657dc69649b9faab665f00482 [0,1,0,0,0,0|1,1,1]=4 270 B9R0.45 CSCCCOCCCF cb30debe154d4a7b3005d488cfb6fa61 [0,1,0,0,0,0|2,0,1]=4 271 B9R0.45 CSCCCOCCCS 0391bd7bea00218f448987cd36d5692b [0,1,0,0,0,0|1,0,2]=4 272 B9R0.45 CSCCCOCCSC 9150bed872b2d0fc2d95b9fd47ac634b [0,1,0,0,0,0|3,0,0]=4 273 B9R0.45 CSCCCOCSC#N 0728d537fe97caa68e9afdaeaafa7f99 [0,1,0,0,0,0|2,0,1]=4 274 B9R0.45 CSCCNCCCC#N 68c8840569b09f6431d8cd2e14ceefac [0,1,0,0,0,0|2,0,1]=4 275 B9R0.45 CSCCNCCCC=O 8d7d5642d85386280bfc36051d0df084 [0,1,0,0,0,0|1,1,1]=4 276 B9R0.45 CSCCNCCCCCl 85af5239132b11d8e5818503435dc73b [0,1,0,0,0,0|2,0,1]=4 277 B9R0.45 CSCCNCCCCF 67050d45317e3fec381fef45ca9c6729 [0,1,0,0,0,0|2,0,1]=4 278 B9R0.45 CSCCNCCCCO 62e46910418c4ce52244f7fbd91c204a [0,1,0,0,0,0|1,1,1]=4 279 B9R0.45 CSCCNCCCCS ed99b0ba4147c99a639241029e1f64f8 [0,1,0,0,0,0|1,0,2]=4 280 B9R0.45 CSCCOCCCC#N 75042e2c1d7f48116b05e0b5336fece7 [0,1,0,0,0,0|2,0,1]=4 281 B9R0.45 CSCCOCCCC=O 52e7ca7dbd7d70965091faf706831a8b [0,1,0,0,0,0|1,1,1]=4 282 B9R0.45 CSCCOCCCCF b0c90fda651092e4188cbba95d298c71 [0,1,0,0,0,0|2,0,1]=4 283 B9R0.45 CSCCOCCCCS 7bc51830898adb55a997ac08cfc7c8a8 [0,1,0,0,0,0|1,0,2]=4 284 B9R0.45 CSCCOCCNC=O 45e773006217e1f2d795f168e07555a6 [0,1,0,0,0,0|0,1,2]=4 285 B9R0.45 CSCCOCCOC=O 40e891e92003ea888885a83977e0fbb7 [0,1,0,0,0,0|1,1,1]=4 286 B9R0.45 CSCNCCCCC#N 57b1900f8118ff749ab2257589c388fa [0,1,0,0,0,0|2,0,1]=4 287 B9R0.45 CSCNCCCCCCl 0b603e33beb081e9c74bb4afe9d4d0e7 [0,1,0,0,0,0|2,0,1]=4 288 B9R0.45 CSCNCCCCCO 5bb2e7db9b994ef76c056647cef0a208 [0,1,0,0,0,0|1,1,1]=4 289 B9R0.45 CSCOCCCCC#N 46997875275e2015c4bff3c116274b7c [0,1,0,0,0,0|2,0,1]=4 290 B9R0.45 CSCOCCCCC=O e279a2cb99bc97e67b45db8cbfac7c12 [0,1,0,0,0,0|1,1,1]=4 291 B9R1.8 CCOC1CCCSC1 8f50cc38cd9825cb05861ebd8195f318 [0,0,0,1,0,0|2,0,1]=4 292 B9R1.8 FCOC1CCCSC1 185ec015f5ea9a165c5fbcabb9d5d79d [0,0,0,1,0,0|2,0,1]=4 293 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [2,0,0,0,0,0|1,0,1]=4 294 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [2,0,0,0,0,0|1,0,1]=4 295 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [2,0,0,0,0,0|1,0,1]=4 296 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [2,0,0,0,0,0|1,0,1]=4 297 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [2,0,0,0,0,0|1,1,0]=4 299 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [2,0,0,0,0,0|2,0,0]=4 300 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [2,0,0,0,0,0|2,0,0]=4 301 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [2,0,0,0,0,0|2,0,0]=4 302 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [2,0,0,0,0,0|2,0,0]=4 303 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [2,0,0,0,0,0|1,1,0]=4 304 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [2,0,0,0,0,0|2,0,0]=4 306 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [2,0,0,0,0,0|1,0,1]=4 307 B8R0.7 CSCCOCC(=S)N 8e53e76a280366e5d6cfa827b0973738 [1,1,0,0,0,0|1,0,1]=4 308 B8R0.7 CSCNCCC(=S)N 07fc989e9e3a9aa655f41a9b936a37d9 [1,1,0,0,0,0|1,0,1]=4 309 B10R0.4 CSCCCNCCC(=S)N 9e6d9940466cd7b3dd3b940f2f48b729 [0,2,0,0,0,0|1,0,1]=4 310 B10R0.4 CSCCNCCNC(=S)N 1e58f38e51ccdd259cd8a61fc51e7a72 [0,2,0,0,0,0|0,0,2]=4 311 B10R0.4 CSCCOCCNC(=S)N 51d85bdf2fd32a63dc2294694c11dea3 [0,2,0,0,0,0|0,0,2]=4 312 B10R0.71 C=C=CCCOCCCSC b593965fee5549676df5b047624f99d3 [0,2,0,0,0,0|2,0,0]=4 313 B10R0.71 C=C=CCCOCCSCC c7e0a1cbbce69413c77307f18509cc56 [0,2,0,0,0,0|2,0,0]=4 314 B10R0.71 CC=C=CCCOCCSC 9b55f0072d0d3b2b3e4f613ddd0ad25c [0,2,0,0,0,0|2,0,0]=4