0 B11R0.3 C#CCCCCOC/C=C/C=O 533475899bd70b046473b3c977f4f039 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.3 C/C=C/C=C/COCCCCC 2667a603d2690530aadc1c08dc0a0108 [0,0,0,0,0,0|2,0,1]=3 2 B11R0.3 C/C=C/C=C/COCCCCF f9b0bea8a57d8c815991d60921437de0 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.3 C/C=C/C=C/COCCCOC f0d0d5ce9be726a5ba4b02ddc8682e9f [0,0,0,0,0,0|3,0,1]=4 4 B11R0.3 C/C=C/C=C/COCCCSC d0846e622cc1751358aaf0590280cd30 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.3 C/C=C/C=C/COCCOCC 88d3100c5affe368f898955571712e49 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.3 C/C=C/C=C/COCCSCC dc6f9cca8c481cf0cb210e6635dc9db2 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.3 C/C=C/CCOCCCCCC 8c3ad0457a3e830872c3530027a04f1e [0,0,0,0,0,0|2,0,2]=4 8 B11R0.3 C/C=C/CNCCCCCCC af0fdf38ebb307486bc264784ccd3c83 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.3 C/C=C/COCCCCCCC 67d80454e207dd5a1825d1eef2cf7e69 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.3 C/C=C\CCCOC/C=C/C=O da1b4374f2d46752fb553998f268300b [0,0,0,0,0,0|1,0,3]=4 11 B11R0.3 C/C=C\CNCCCCCCC 9dd75a327d2457b018c6d50d1310b411 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.3 C/C=C\COCCCCCCC 48c8f8426fdc5f9bef7e34a4312ddd6d [0,0,0,0,0,0|2,0,2]=4 13 B11R0.3 C=C/C=C/CCNCCCCC 866990222c3bfaa99a0b3824725b9ce5 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.3 C=CCCCCOC/C=C/C=O 2954d16b640da8b666f4404cb8cc141a [0,0,0,0,0,0|1,0,3]=4 15 B11R0.3 CC/C=C/CNCCCCCC 4ea6a89a67bd880060b4122692e295c2 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.3 CC/C=C/COCCCCCC eb90121bb3484ddc510c42f4817c7d41 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.3 CC/C=C\CCOC/C=C/C=O f1c60130363257e354eb44ee0f654b7c [0,0,0,0,0,0|1,0,3]=4 18 B11R0.3 CC/C=C\COCCCCCC 9755557f3f5961e4b7217afb6d53fd2f [0,0,0,0,0,0|2,0,2]=4 19 B11R0.3 CC=CC=CCOCCCCC 0a414855753f5c15a0899ce0a42b5368 [0,0,0,0,0,0|2,0,1]=3 20 B11R0.3 CC=CC=CCOCCCCF 1336e1583fcd98d174cde0d1feae0435 [0,0,0,0,0,0|3,0,1]=4 21 B11R0.3 CC=CC=CCOCCCOC c457231fed4c7f2195c839cf3cacd232 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.3 CC=CC=CCOCCCSC a555a4b45e559a7676b75fc34eea5cbc [0,0,0,0,0,0|3,0,1]=4 23 B11R0.3 CC=CC=CCOCCOCC 2a20c8af486fa56d9680e1bd55ed6c53 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.3 CC=CC=CCOCCSCC dedbfb44dc1fdc100ca1601e4941f095 [0,0,0,0,0,0|3,0,1]=4 25 B11R0.3 CC=CCNCCCCCCC 7008f5a91daa02e914ed344aafa7e9d0 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.3 CC=CCOCCCCCCC 46a2177b7fee8ebd05148c40489b256d [0,0,0,0,0,0|2,0,2]=4 27 B11R0.3 CCC/C=C/COC/C=C/C=O 5039f30c0fbb2b4fd209af3b871e5968 [0,0,0,0,0,0|1,0,3]=4 28 B11R0.3 CCC/C=C\COC/C=C/C=O 98cdea7a9bd4efd69fc8fb75383ae149 [0,0,0,0,0,0|1,0,3]=4 29 B11R0.3 CCCCC/C=C/COCC=O 2558cf6cdbd0d16b04fc977fd006358a [0,0,0,0,0,0|1,0,3]=4 30 B11R0.3 CCCCCC/C=C/COCC 1d564dbe762cb9f190a747403312f838 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.3 CCCCCC/C=C/COCF 91ebc248f7b4f728849745f48647afc4 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.3 CCCCCC/C=C\COCC 5a8a881f07f8a5e19b54364067beb581 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.3 CCCCCC/C=C\COCF 487281249c24753e3698304f4c3a6dd8 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.3 CCCCCCCCCNC=O 450ec7c17222bfa50b1bec9a4e76d3ac [0,0,0,0,0,0|1,0,3]=4 35 B11R0.3 CCCCCCCCNCC=O d9ced648acece07efb5d33c320d8dadf [0,0,0,0,0,0|1,0,3]=4 36 B11R0.3 CCCCCCCCOCC=O 4b7128d965398d7a6aa7d6d1f071599b [0,0,0,0,0,0|1,0,3]=4 37 B11R0.3 CCCCCCCNC/C=C/Cl 637e7cc26c94edd1a7a07e5f341a649f [0,0,0,0,0,0|2,0,2]=4 38 B11R0.3 CCCCCCCNC/C=C\Cl fceca85c8e58a288d7d9b590362e2068 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.3 CCCCCCCNC/C=C\O 68625962180e5c7cd6474c4bc6a5cb81 [0,0,0,0,0,0|1,0,3]=4 40 B11R0.3 CCCCCCCNCCC=O 89a048b0cb7fedfdc94b7b98d38db122 [0,0,0,0,0,0|1,0,3]=4 41 B11R0.3 CCCCCCCOC/C=C/Cl dffe18752c234ea481b343adb229ea78 [0,0,0,0,0,0|2,0,2]=4 42 B11R0.3 CCCCCCCOC/C=C\Cl c43cba169af3591ad88223be073855c8 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.3 CCCCCCCOCC=CCl a695a2b133c28c6337341b52e4d6b842 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.3 CCCCCCCOCCC=O 5cfef64155cbae6dbc467da4dd4c8b26 [0,0,0,0,0,0|1,0,3]=4 45 B11R0.3 CCCCCCNCC=CC#N 588c0eb66da23643e56418e0f2982366 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.3 CCCCCCNCCCC=O 30f6c36223cd033769b129f975d8cef5 [0,0,0,0,0,0|1,0,3]=4 47 B11R0.3 CCCCCCOC/C=C/C=O 9cadfea2bf1cb801e0e16e78abb3d717 [0,0,0,0,0,0|1,0,1]=2 48 B11R0.3 CCCCCCOCC=CC#N 77082a1040267070c62448285a75f989 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.3 CCCCCCOCCCC=O 30a74e5ed2ff3a69b75905a761317e27 [0,0,0,0,0,0|1,0,3]=4 50 B11R0.3 CCCCCCOCCNC=O fb691e1018824f2a54738e457bcaa32e [0,0,0,0,0,0|2,0,2]=4 51 B11R0.3 CCCCCCOCCOC=O 226f5a01dfb1a391bf569a589b2c506d [0,0,0,0,0,0|2,0,2]=4 52 B11R0.3 CCCCOCOC/C=C/C=O f38ba852e75c3d6462c0adc536260251 [0,0,0,0,0,0|2,0,1]=3 53 B11R0.3 CCCOCCOC/C=C/C=O 69657be0bebb41fd02bdb5d0c7c76e6d [0,0,0,0,0,0|2,0,1]=3 54 B11R0.3 CCOCCCOC/C=C/C=O 7de42507e70ef3cc82cee413a91fb7a4 [0,0,0,0,0,0|2,0,1]=3 55 B11R0.3 CCSCCCOC/C=C/C=O e0f9928cec0dc5832b2336771d3b5777 [0,0,0,0,0,0|2,0,1]=3 56 B11R0.3 COCCCCOC/C=C/C=O b42d837d710745c9c5f764aaf1b76378 [0,0,0,0,0,0|2,0,1]=3 57 B11R0.3 COCCOCOC/C=C/C=O c5fb6ce5b0592ba9371380eb6008bd95 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.3 COCOCCOC/C=C/C=O c00e290cb4b55cc00be41349778ffec8 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.3 N#CCCCCOC/C=C/C=O 544d398b19b836f4faf1701895f7ade2 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.3 O=C/C=C/COCCCCC=O e6f165ab7ff470c17fc93d6e8fb72147 [0,0,0,0,0,0|2,0,2]=4 61 B11R0.3 O=C/C=C/COCCCCCF 032171ddaec7f3023dedfc4774b9d043 [0,0,0,0,0,0|2,0,1]=3 62 B10R0.71 C/C=C/C=C/COCCCC 5be7c2b1277a2751ff6b685b75a09aa7 [1,0,0,0,0,0|1,0,1]=3 63 B10R0.71 C/C=C/C=C/COCCCF 517e388ccc8a69b3c3b788f42f35e0b5 [1,0,0,0,0,0|2,0,1]=4 64 B10R0.71 C/C=C/C=C/COCCCS 88605be89f61a37c5537d42de9111ec5 [1,0,0,0,0,0|2,0,1]=4 65 B10R0.71 C/C=C/C=C/COCCOC 09d182365213d814b51c617be63aafcf [1,0,0,0,0,0|2,0,1]=4 66 B10R0.71 C/C=C/C=C/COCCSC ec2ec57c424865d8f04a31497e5e1709 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.71 C/C=C/C=C/COCOCC e709fdf8cc680576f78ffda36573d054 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.71 C/C=C/CNCCCCCC 23f0bb0d5026d859ab84031e8dc94320 [1,0,0,0,0,0|1,0,2]=4 69 B10R0.71 C/C=C/COCCCCCC 2cc86534d43c03349a69990f00a712f1 [1,0,0,0,0,0|1,0,2]=4 70 B10R0.71 C/C=C\CNCCCCCC 51c50a34f77d344a6f9e8db0e46ec177 [1,0,0,0,0,0|1,0,2]=4 71 B10R0.71 C/C=C\COCCCCCC c3215f168781748ebc00617e7f23375f [1,0,0,0,0,0|1,0,2]=4 72 B10R0.71 C=C/C=C/CCNCCCC 7b723689d9dff35eae75be2429e9c7d8 [1,0,0,0,0,0|1,0,1]=3 73 B10R0.71 C=C/C=C/CCNCCCF b9a22817eed449330f936bf494c3ec06 [1,0,0,0,0,0|2,0,1]=4 74 B10R0.71 C=C/C=C/CCNCCCO 8814ae4afe7271b122cca785a18191b2 [1,0,0,0,0,0|2,0,1]=4 75 B10R0.71 C=C/C=C/CCNCCCS bf74410c0b9e959ceca958a5d229d5fc [1,0,0,0,0,0|2,0,1]=4 76 B10R0.71 C=C/C=C/CCNCCOC 7b5f127017eb8e148e5acd68c20b812c [1,0,0,0,0,0|2,0,1]=4 77 B10R0.71 C=C/C=C/CCNCCSC 0e19a8905bd7aff741b2d0690e69a3bb [1,0,0,0,0,0|2,0,1]=4 78 B10R0.71 C=C/C=C/CCNCOCC d8ab507b50eb171bcd5074b8955d4800 [1,0,0,0,0,0|2,0,1]=4 79 B10R0.71 C=CCCNCCCCCC 76e5dd4d3273056eb014515e2136d33d [1,0,0,0,0,0|1,0,2]=4 80 B10R0.71 C=CCCOCCCCCC 8814dfd80f4d64b7d70e638ca2c0b882 [1,0,0,0,0,0|1,0,2]=4 81 B10R0.71 C=CCNCCCCCCC 2a2fd85d2768fa551513c1f6e6f4458d [1,0,0,0,0,0|1,0,2]=4 82 B10R0.71 C=CCOCCCCCCC 817dc73f818a9c2b13aa69014917ad92 [1,0,0,0,0,0|1,0,2]=4 83 B10R0.71 CC=CC=CCOCCCC b2db690d4b1d749e1abe5e187adedbf9 [1,0,0,0,0,0|1,0,1]=3 84 B10R0.71 CC=CC=CCOCCCF e301058a6bb123dacb4663e8390cc1a8 [1,0,0,0,0,0|2,0,1]=4 85 B10R0.71 CC=CC=CCOCCCS 59699e406486475c037d740ca486c3f0 [1,0,0,0,0,0|2,0,1]=4 86 B10R0.71 CC=CC=CCOCCOC 39a09f3f320ae5f898ad13e2186ab48e [1,0,0,0,0,0|2,0,1]=4 87 B10R0.71 CC=CC=CCOCCSC 5eff3cf4aba18dda9a2e518051a746c7 [1,0,0,0,0,0|2,0,1]=4 88 B10R0.71 CC=CC=CCOCOCC c66b1d730b21c0e0db8cfe55755471fc [1,0,0,0,0,0|2,0,1]=4 89 B10R0.71 CC=CCNCCCCCC a2b3321184d80eccc150605d97b3fa96 [1,0,0,0,0,0|1,0,2]=4 90 B10R0.71 CC=CCOCCCCCC a58ad78e13367fd9a0795b0d0efdc386 [1,0,0,0,0,0|1,0,2]=4 91 B10R0.71 CCCCCCCCNC=O bc03f137b33aec3f705c81e5d5bac7bb [1,0,0,0,0,0|1,0,2]=4 92 B10R0.71 CCCCCCCNCC=O bfb56bc7341eb925b4f8d6df80cbc0e0 [1,0,0,0,0,0|1,0,2]=4 93 B10R0.71 CCCCCCCOCC=O 85a03949435365a6a1fdeda7013cb46a [1,0,0,0,0,0|1,0,2]=4 94 B10R0.71 CCCCCCNC/C=C/Cl a434be9488fb4e5f67e78ecb14455099 [1,0,0,0,0,0|2,0,1]=4 95 B10R0.71 CCCCCCNC/C=C\Cl f568565a0a16d34d673b3191da6e715f [1,0,0,0,0,0|2,0,1]=4 96 B10R0.71 CCCCCCNC/C=C\O 6d75b641deaa8953d1d240b2b8f20ca8 [1,0,0,0,0,0|1,0,2]=4 97 B10R0.71 CCCCCCNCCC=O 7011a6760ad05bee90b4b5fe1ddade10 [1,0,0,0,0,0|1,0,2]=4 98 B10R0.71 CCCCCCOC/C=C/Cl 9b845a9faee5eb30dccd92e1d125045d [1,0,0,0,0,0|2,0,1]=4 99 B10R0.71 CCCCCCOC/C=C\Cl 6c622b8755434309310cd777f350ff13 [1,0,0,0,0,0|2,0,1]=4 100 B10R0.71 CCCCCCOCC=CCl f46dbeda2bf4ea0706f085cbc02d1831 [1,0,0,0,0,0|2,0,1]=4 101 B10R0.71 CCCCCCOCCC=O 52e11fbfda6e705332503dbf6ca57c21 [1,0,0,0,0,0|1,0,2]=4 102 B10R0.71 CCCCCOC/C=C/C=O dd701f6f2acb2f0b3775b86bb7a39725 [1,0,0,0,0,0|1,0,1]=3 103 B10R0.71 CCOCCOC/C=C/C=O e6f440ae1251911be799fcdacb056b7c [1,0,0,0,0,0|2,0,1]=4 104 B10R0.71 CCSCCOC/C=C/C=O 72e0d52a8230749427a097cb9f70c4ab [1,0,0,0,0,0|2,0,1]=4 105 B10R0.71 COCCCOC/C=C/C=O 9326509c2d8323c1960ecb8dffced4c2 [1,0,0,0,0,0|2,0,1]=4 106 B10R0.71 CSCCCOC/C=C/C=O c0610b7ccbc20c3842f52840688afdf1 [1,0,0,0,0,0|2,0,1]=4 107 B10R0.71 O=C/C=C/COCCCCF 0b584d2232e8de12514e5ff558234ec7 [1,0,0,0,0,0|2,0,1]=4 108 B12R0.1 C/C=C/C(=O)NCCCCCCC 143aedf4a24336379d4af9ae7f8e7244 [0,1,0,0,0,0|2,0,1]=4 109 B12R0.1 C/C=C/C=C/COCC(C)CCC 8774ee01588a86b6cdcaf3dd80fd070a [0,1,0,0,0,0|2,0,1]=4 110 B12R0.1 CC=CC=CCOCC(C)CCC fc6d01173af07071943f9d36a7531228 [0,1,0,0,0,0|2,0,1]=4 111 B12R0.1 CCCCCC/C=C/C(=O)NC#N 86256d262e1049657feb5d7559adb3b1 [0,1,0,0,0,0|2,0,1]=4 112 B12R0.1 CCCCCCCNC(=O)/C=C/Br c102ce5332667e909b593fed21afa6d9 [0,1,0,0,0,0|2,0,1]=4 113 B12R0.1 CCCCCCCNC(=O)/C=C/Cl dbac5a2697cfb507ea5729a9bc6f98f2 [0,1,0,0,0,0|2,0,1]=4 114 B12R0.1 CCCCCCCNC(=O)/C=C/I bc4654a30475fbacf957ee481607f5e0 [0,1,0,0,0,0|2,0,1]=4 115 B12R0.1 CCCCCCCNC(=O)/C=C\Br f9367246b21b840ad3179df4392b4084 [0,1,0,0,0,0|2,0,1]=4 116 B12R0.1 CCCCCCCNC(=O)/C=C\Cl 7c3cb0634e79afe88fbf61664dbd398b [0,1,0,0,0,0|2,0,1]=4 117 B12R0.1 CCCCCCCNC(=O)/C=C\I 62e50705b15e04ab413b39678d0740e9 [0,1,0,0,0,0|2,0,1]=4 118 B12R0.1 CCCCCCCNC(=O)C=CBr d4c471ed676db1a4297b5b278002509d [0,1,0,0,0,0|2,0,1]=4 119 B12R0.1 CCCCCCCNC(=O)C=CI d4d39e5881aa847130ee42973cb70dc7 [0,1,0,0,0,0|2,0,1]=4 120 B12R0.1 CCCCCCCNC(=O)CC=O ac99d0732463acc48ce208928c43dedb [0,1,0,0,0,0|1,0,2]=4 121 B12R0.5 C#CCCCCCOC/C=C/C=O 652e057d95aca5607738183cd6bcef23 [0,1,0,0,0,0|1,0,2]=4 122 B12R0.5 C/C=C/C=C/COCCCCCC 1e6e4fe67a418f81c59fcbc618aab5a4 [0,1,0,0,0,0|1,0,1]=3 123 B12R0.5 C/C=C/C=C/COCCCCCF 684b3aeb7e5ffd5260daa9ead8b083b1 [0,1,0,0,0,0|2,0,1]=4 124 B12R0.5 C/C=C/C=C/COCCCCOC cb6e3369eb82a909e3e4f28548833bed [0,1,0,0,0,0|2,0,1]=4 125 B12R0.5 C/C=C/C=C/COCCCOCC 0fdcf15b3200f965562d47977bff3d34 [0,1,0,0,0,0|2,0,1]=4 126 B12R0.5 C/C=C/C=C/COCCCSCC f187580b00118d997e6e1a2d747fdb64 [0,1,0,0,0,0|2,0,1]=4 127 B12R0.5 C/C=C/C=C/COCCOCCC 96056c9ba5b9855d1b3dd181fe0dbea7 [0,1,0,0,0,0|2,0,1]=4 128 B12R0.5 C/C=C/C=C/COCOCCCC d216bb2aa498d008df75468bbab70f87 [0,1,0,0,0,0|2,0,1]=4 129 B12R0.5 C=C/C=C/CCNCCCCCC 9075283cf01438c3d0e0e6404b6e8bf0 [0,1,0,0,0,0|1,0,2]=4 130 B12R0.5 C=CCCCCCOC/C=C/C=O baef0f626a855c07344f53a041ff5af2 [0,1,0,0,0,0|1,0,2]=4 131 B12R0.5 C=CCOC/C=C/CCCCCC 1af12f44b04648a7b8f9ed6a6e8afd57 [0,1,0,0,0,0|1,0,2]=4 132 B12R0.5 C=CCOC/C=C\CCCCCC f5dbec637c1134e9bc6bd2a5ab92ca8b [0,1,0,0,0,0|1,0,2]=4 133 B12R0.5 CC/C=C\C/C=C\CCCOCC e180421407901b37c33dd41b99ed7129 [0,1,0,0,0,0|2,0,1]=4 134 B12R0.5 CC=CC=CCOCCCCCC 461eef77b84d3c46ab283a399ed37042 [0,1,0,0,0,0|1,0,1]=3 135 B12R0.5 CC=CC=CCOCCCCCF c7ac975dacde1f5764b9c919a015181c [0,1,0,0,0,0|2,0,1]=4 136 B12R0.5 CC=CC=CCOCCCCOC b57ba19796cc99ce6aaa5b00c0d54183 [0,1,0,0,0,0|2,0,1]=4 137 B12R0.5 CC=CC=CCOCCCOCC 1f5d0b54d0e5adfeec8e26c198ba4444 [0,1,0,0,0,0|2,0,1]=4 138 B12R0.5 CC=CC=CCOCCCSCC 1baba83cf7c04e4fcfe31c08682d60e6 [0,1,0,0,0,0|2,0,1]=4 139 B12R0.5 CC=CC=CCOCCOCCC fcef2312120627c476a7f0d19fc61d9f [0,1,0,0,0,0|2,0,1]=4 140 B12R0.5 CC=CC=CCOCOCCCC 7e98f2a860783433adcb87e8ef8b4c48 [0,1,0,0,0,0|2,0,1]=4 141 B12R0.5 CCC/C=C/C=C/COCCCC 383183f12d3781ad5256d19e67f35cad [0,1,0,0,0,0|2,0,1]=4 142 B12R0.5 CCC=CCC=CCCOCCC 0e804d76c25fe36f08f0bf4dc942ea9d [0,1,0,0,0,0|2,0,1]=4 143 B12R0.5 CCCC/C=C/COC/C=C/C=O 38a76e547943dfd71b0bc0866447a6dc [0,1,0,0,0,0|1,0,2]=4 144 B12R0.5 CCCC/C=C\COC/C=C/C=O efaf91c463b1be51f8c2ab0ad541dffe [0,1,0,0,0,0|1,0,2]=4 145 B12R0.5 CCCCCC/C=C/COCC=O f92cb15ab28e780152fafa493b7ed3e4 [0,1,0,0,0,0|0,0,2]=3 146 B12R0.5 CCCCCC/C=C\COCC=O 52d81611829ea05a8c088407fcc366c1 [0,1,0,0,0,0|0,0,2]=3 147 B12R0.5 CCCCCCCOC/C=C/C=O fdead6d332c5646ef4839d54cba18113 [0,1,0,0,0,0|0,0,2]=3 148 B12R0.5 CCCCOCCOC/C=C/C=O 06fd75efef919b153333263b70a20cb6 [0,1,0,0,0,0|1,0,1]=3 149 B12R0.5 CCCOCCCOC/C=C/C=O 35a0314602650cfb887663f2d7efc965 [0,1,0,0,0,0|1,0,1]=3 150 B12R0.5 COCCCCCOC/C=C/C=O d012aaf225e3b883d4cd8dbe2bd4676d [0,1,0,0,0,0|1,0,1]=3 151 B12R0.5 COCCOCCOC/C=C/C=O 8909ca5e04f9b23c2eb9f610c31de8f5 [0,1,0,0,0,0|2,0,1]=4 152 B12R0.5 N#CCCCCCOC/C=C/C=O 5fc4a5a5c2806f2655ff04ced2bdb450 [0,1,0,0,0,0|1,0,2]=4 153 B12R0.5 O=C/C=C/COCCCCCC=O 510ae7d837bad9bd9e1d57ae34cd3c29 [0,1,0,0,0,0|1,0,2]=4 154 B12R0.5 O=C/C=C/COCCCCCCF dca2589c20ae6df83ad4387303991d66 [0,1,0,0,0,0|1,0,1]=3 155 B12R0.47 C/C=C/C=C/C(=O)NCCCCC 6c0a7f6e1153def9c2cdbd5297d508d0 [0,1,0,0,0,0|2,0,0]=3 156 B12R0.47 C/C=C/C=C/C(=O)NCCCCCl 001feef25a100ed49032ff0c2c8ed887 [0,1,0,0,0,0|3,0,0]=4 157 B12R0.47 C/C=C/C=C/C(=O)NCCCCO 1d409b42958ba2f8374e886415ab0ab2 [0,1,0,0,0,0|3,0,0]=4 158 B12R0.47 C/C=C/C=C/C(=O)NCCCCS ddef3c71ae22603c488a97ffdb47fe18 [0,1,0,0,0,0|3,0,0]=4 159 B12R0.47 C/C=C/C=C/C(=O)NCCCOC 10049e90c0ce73a247d60d7b0f028069 [0,1,0,0,0,0|3,0,0]=4 160 B12R0.47 C/C=C/C=C/C(=O)NCCCSC bf6992379af7ef73a3a0d8a8c7242ae3 [0,1,0,0,0,0|3,0,0]=4 161 B12R0.47 C/C=C/C=C/C(=O)NCCOCC 41c4c8409479961757e772d2ba3bba4b [0,1,0,0,0,0|3,0,0]=4 162 B12R0.47 C/C=C/C=C/C(=O)NCCSCC 085a46b7e1890b3fbfca05ae448022c8 [0,1,0,0,0,0|3,0,0]=4 163 B12R0.47 CC=CC=CC(=O)NCCCCC 30d487774495d8276c23f31630a7bad5 [0,1,0,0,0,0|2,0,0]=3 164 B12R0.47 CC=CC=CC(=O)NCCCCCl 0d26ef3dae37cb865629260966e44f5d [0,1,0,0,0,0|3,0,0]=4 165 B12R0.47 CC=CC=CC(=O)NCCCCO 0beffca20fe2ea898895b6c6f1abfc24 [0,1,0,0,0,0|3,0,0]=4 166 B12R0.47 CC=CC=CC(=O)NCCCCS c6d414321aaeffeec68acc125671cdd2 [0,1,0,0,0,0|3,0,0]=4 167 B12R0.47 CC=CC=CC(=O)NCCCOC a6c825c259570b13ccb88a065dfd5a76 [0,1,0,0,0,0|3,0,0]=4 168 B12R0.47 CC=CC=CC(=O)NCCCSC e357bce2c408c099bb2cfb10081492c0 [0,1,0,0,0,0|3,0,0]=4 169 B12R0.47 CC=CC=CC(=O)NCCOCC 62da5c4426ba322af4c0f9601e0da280 [0,1,0,0,0,0|3,0,0]=4 170 B12R0.47 CC=CC=CC(=O)NCCSCC f3c210fc7bb9b336c0ee0b5751217f59 [0,1,0,0,0,0|3,0,0]=4 171 B12R0.47 CC=CCNC(=O)CCCCCC 3e83eef6c2da34221bc78731aa393438 [0,1,0,0,0,0|2,0,1]=4 172 B12R0.47 CCCCCC(C)OC/C=C/C=O c709c54c57db8084fe00fb78b85afcd7 [0,1,0,0,0,0|1,0,1]=3 173 B12R0.47 CCCCC[C@H](C)OC/C=C/C=O 8d8d33082f65398e176dbcc04e4c561a [0,1,0,0,0,0|1,0,1]=3 174 B12R0.206 C/C=C/C=C/COC(C)CCCC d0581a7c3eca03e2cfda99f99f1e0645 [0,1,0,0,0,0|2,0,1]=4 175 B12R0.206 C/C=C/CC(=O)NCCCCCC bde448a86bde6ddb2d7b353249e71a1d [0,1,0,0,0,0|2,0,1]=4 176 B12R0.206 C=C/C=C/C(=O)NCCCCCC f2abcc8fa2776f274f69e5ea5963f6c2 [0,1,0,0,0,0|2,0,0]=3 177 B12R0.206 C=C/C=C/C(=O)NCCCCCCl e03d532b54a6122f832c20fc9604ad58 [0,1,0,0,0,0|3,0,0]=4 178 B12R0.206 C=C/C=C/C(=O)NCCCCCO 25eca366463f05e05f65336b6e17344a [0,1,0,0,0,0|3,0,0]=4 179 B12R0.206 C=C/C=C/C(=O)NCCCCOC c0989335013cd40e1f104dce89949665 [0,1,0,0,0,0|3,0,0]=4 180 B12R0.206 C=C/C=C/C(=O)NCCCCSC 7a4b3458aa9397a74841b093b31715fc [0,1,0,0,0,0|3,0,0]=4 181 B12R0.206 C=C/C=C/C(=O)NCCCOCC 8ec0b7fe20894348504eac18c9e64be0 [0,1,0,0,0,0|3,0,0]=4 182 B12R0.206 C=C/C=C/C(=O)NCCOCCC c33c6e555d157562cf0cb3d5d851c850 [0,1,0,0,0,0|3,0,0]=4 183 B12R0.206 C=C/C=C\C(=O)NCCCCCC 9a43241ec18e9d84c690de0d9a2163d1 [0,1,0,0,0,0|2,0,0]=3 184 B12R0.206 C=C/C=C\C(=O)NCCCCCCl b6766bee2ba1ddd6f62faacb25404fdc [0,1,0,0,0,0|3,0,0]=4 185 B12R0.206 C=C/C=C\C(=O)NCCCCCO 8011701cc94f70f32c33bbac039ad6f0 [0,1,0,0,0,0|3,0,0]=4 186 B12R0.206 C=C/C=C\C(=O)NCCCCOC e5956884f0272e1fa5c074dd7960e7d3 [0,1,0,0,0,0|3,0,0]=4 187 B12R0.206 C=C/C=C\C(=O)NCCCCSC 4de3591d6120f706e9e7a40a03275416 [0,1,0,0,0,0|3,0,0]=4 188 B12R0.206 C=C/C=C\C(=O)NCCCOCC aee930631ccf097324e32be09373e171 [0,1,0,0,0,0|3,0,0]=4 189 B12R0.206 C=C/C=C\C(=O)NCCOCCC 9715daf1d84b0059a023caa864331a7f [0,1,0,0,0,0|3,0,0]=4 190 B12R0.206 C=CC=CC(=O)NCCCCCC db5b45072786e02da14a90aa019b7328 [0,1,0,0,0,0|2,0,0]=3 191 B12R0.206 C=CC=CC(=O)NCCCCCCl 35b24bab0dac9db13db93c716ddf0563 [0,1,0,0,0,0|3,0,0]=4 192 B12R0.206 C=CC=CC(=O)NCCCCCO b5c896a278c79b5da901843fb95e68d8 [0,1,0,0,0,0|3,0,0]=4 193 B12R0.206 C=CC=CC(=O)NCCCCOC 6c6996b875c53bf7136868a538629d68 [0,1,0,0,0,0|3,0,0]=4 194 B12R0.206 C=CC=CC(=O)NCCCCSC 6f5c7753b4423dac24c34e8933a5f77b [0,1,0,0,0,0|3,0,0]=4 195 B12R0.206 C=CC=CC(=O)NCCCOCC ed66922764e73c3332cb6af1353c1a67 [0,1,0,0,0,0|3,0,0]=4 196 B12R0.206 C=CC=CC(=O)NCCOCCC fe1501a5ab02e2d2e49d3f26df31dba8 [0,1,0,0,0,0|3,0,0]=4 197 B12R0.206 CC/C=C/C(=O)NCCCCCC 0ae15ea0c3e1227f52271a15cb9574cb [0,1,0,0,0,0|2,0,1]=4 198 B12R0.206 CC/C=C\C(=O)NCCCCCC 8353d9dd77ca4f6ada77e5a2bc3fdb7a [0,1,0,0,0,0|2,0,1]=4 199 B12R0.206 CC=CC=CCOC(C)CCCC b9d218cbcd9795d0b2f8f225591f93b3 [0,1,0,0,0,0|2,0,1]=4 200 B12R0.206 CCC=CC(=O)NCCCCCC 13ff3a32fc5dcac22caca9b21b4d62d5 [0,1,0,0,0,0|2,0,1]=4 201 B12R0.206 CCCCCCNC(=O)/C=C/CF 5dc189665cbec589da8d3261ce5af8a9 [0,1,0,0,0,0|2,0,1]=4 202 B12R0.206 CCCCCCNC(=O)/C=C/CO 1d7213f74573f0cb0656f7808bc0992f [0,1,0,0,0,0|1,0,2]=4 203 B12R0.206 CCCCCCNC(=O)/C=C/OC fdbdf447cd1dbbe3aed079d801b6a38f [0,1,0,0,0,0|3,0,0]=4 204 B12R0.206 CCCCCCNC(=O)C=CC#N ca9ee84c96fd55d7cbb41d617d26b687 [0,1,0,0,0,0|2,0,1]=4 205 B12R0.206 CCCCCCNC(=O)C=CCO 7007ec4db7b57d2382a77e91846b4afd [0,1,0,0,0,0|1,0,2]=4 206 B12R0.206 CCCCCCNC(=O)C=COC 119f1e2cc11cda3ea15c28b5e83fa5b3 [0,1,0,0,0,0|3,0,0]=4 207 B12R0.206 CCCCCCNC(=O)CCC=O 2fb1d197b8a4a365f4a484d3a35c8222 [0,1,0,0,0,0|1,0,2]=4 208 B12R0.206 CCCCCCNC(=O)CNC=O 31c9ce344b2ca66453f7291e1fcac037 [0,1,0,0,0,0|2,0,1]=4 209 B12R0.234 C/C=C/C=C/COCCCC(C)C 27c2731b1622be1a3dc150d5da43b19e [0,1,0,0,0,0|2,0,1]=4 210 B12R0.234 CC(=O)CCCCOC/C=C/C=O db88c9e2f7d335bf3643ec61dde428dc [0,1,0,0,0,0|1,0,2]=4 211 B12R0.234 CC(C)CCCCOC/C=C/C=O a1b5ad9bf43c57ab29e8afcd9af98841 [0,1,0,0,0,0|1,0,1]=3 212 B12R0.234 CC(C)COCCOC/C=C/C=O 64b7b36831a7334f2f763620e73ddc82 [0,1,0,0,0,0|2,0,1]=4 213 B12R0.234 CC=CC=CCOCCCC(C)C 0bca97212093ff3f1bb8e9c6b584bea3 [0,1,0,0,0,0|2,0,1]=4 214 B12R0.234 CCCCCCNC/C=C/C(=O)O 7a59b770969d8fa4966078f52f1cfd59 [0,1,0,0,0,0|1,0,1]=3 215 B12R0.234 CCCCCCNCC=CC(=O)O 034fd8f63c2a68994cdef6bdc5e8c763 [0,1,0,0,0,0|1,0,1]=3 216 B12R0.234 CCCCCCOC/C=C/C(=O)O 128dea79449a57e6860601570247a082 [0,1,0,0,0,0|1,0,1]=3 217 B12R0.234 CCCCCCOCC=CC(=O)O 8819b9a5f31b28310280cbe2ba6bbd0a [0,1,0,0,0,0|1,0,1]=3 218 B12R0.234 CCCCOCNC/C=C/C(=O)O e77e8528df6646799820ed0f6bc4f6bd [0,1,0,0,0,0|2,0,1]=4 219 B12R0.234 CCCCOCNCC=CC(=O)O c2eb3769e8ef17da34d136546d66fbed [0,1,0,0,0,0|2,0,1]=4 220 B12R0.234 CCCCOCOC/C=C/C(=O)O 7c24b816a3d5c86ed5dc377984f03d09 [0,1,0,0,0,0|2,0,1]=4 221 B12R0.234 CCCCOCOCC=CC(=O)O a37dfa9b440162fcd6108306ffca6d9e [0,1,0,0,0,0|2,0,1]=4 222 B12R0.234 CCCOCCNC/C=C/C(=O)O 7fc15fcb49d7a035f8e3019d2384a8e7 [0,1,0,0,0,0|2,0,1]=4 223 B12R0.234 CCCOCCNCC=CC(=O)O 39bab1c190e531865cfd2fe84aec7108 [0,1,0,0,0,0|2,0,1]=4 224 B12R0.234 CCCOCCOC/C=C/C(=O)O b35908a59e106ff9eb36c932f19ca2ea [0,1,0,0,0,0|2,0,1]=4 225 B12R0.234 CCCOCCOCC=CC(=O)O c2422e637fe160a3e4860c72dcd20b47 [0,1,0,0,0,0|2,0,1]=4 226 B12R0.234 CCCSCCOC/C=C/C(=O)O fdfccd5ee288afa8d2285003957a99e0 [0,1,0,0,0,0|2,0,1]=4 227 B12R0.234 CCCSCCOCC=CC(=O)O 8d43f4109343cb134db6f63730b59f83 [0,1,0,0,0,0|2,0,1]=4 228 B12R0.234 CCOCCCNC/C=C/C(=O)O d70b37d583b2eaf35794031c3c171512 [0,1,0,0,0,0|2,0,1]=4 229 B12R0.234 CCOCCCNCC=CC(=O)O 87f267b91233bbf05cb2847504e594a8 [0,1,0,0,0,0|2,0,1]=4 230 B12R0.234 CCOCCCOC/C=C/C(=O)O 97b4a6884f8ea7128068d9e313974f93 [0,1,0,0,0,0|2,0,1]=4 231 B12R0.234 CCOCCCOCC=CC(=O)O 621c4f09976763105636fb26eefb13e2 [0,1,0,0,0,0|2,0,1]=4 232 B12R0.234 CCSCCCNC/C=C/C(=O)O 9ca7b4a5dd7be221a3dbdc219f0d0e1f [0,1,0,0,0,0|2,0,1]=4 233 B12R0.234 CCSCCCNCC=CC(=O)O 122a856489b19b411cc4a6f6efd0c990 [0,1,0,0,0,0|2,0,1]=4 234 B12R0.234 CCSCCCOC/C=C/C(=O)O d219dedb866901e0e46fc8144a80426e [0,1,0,0,0,0|2,0,1]=4 235 B12R0.234 CCSCCCOCC=CC(=O)O 8eadced9012f6df6f1ed8e6752d24b02 [0,1,0,0,0,0|2,0,1]=4 236 B12R0.234 CN(C)CCCCOC/C=C/C=O 3fa4ef3e85b1380ab836d6f467dcd299 [0,1,0,0,0,0|2,0,1]=4 237 B12R0.234 COCCCCNC/C=C/C(=O)O 19d23fc16cf37e081fa7da8c57053a83 [0,1,0,0,0,0|2,0,1]=4 238 B12R0.234 COCCCCNCC=CC(=O)O 37f508d8da23813687ac6f41905e5192 [0,1,0,0,0,0|2,0,1]=4 239 B12R0.234 COCCCCOC/C=C/C(=O)O 161e1b9eea9f96cd8fa16c3b8e90f8de [0,1,0,0,0,0|2,0,1]=4 240 B12R0.234 COCCCCOCC=CC(=O)O 75aae2cddb40d3b2bde8c2d13cb1c069 [0,1,0,0,0,0|2,0,1]=4 241 B12R0.234 CSCCCCNC/C=C/C(=O)O a972113a6c2e687338caa89d516cdded [0,1,0,0,0,0|2,0,1]=4 242 B12R0.234 CSCCCCNCC=CC(=O)O 18340c8fb03fa0c80331d0c6fe101803 [0,1,0,0,0,0|2,0,1]=4 243 B12R0.234 CSCCCCOC/C=C/C(=O)O 631e12b0f4fdd28971fe2d9491d51bca [0,1,0,0,0,0|2,0,1]=4 244 B12R0.234 CSCCCCOCC=CC(=O)O 7de488157ec869f65ca63cab15fb5880 [0,1,0,0,0,0|2,0,1]=4 245 B12R0.234 O=C(O)/C=C/CNCCCCCCl 037b6bb1659a2aeaec56fbe701bdc5bb [0,1,0,0,0,0|2,0,1]=4 246 B12R0.234 O=C(O)/C=C/CNCCCCCF 6d331a0fef1a0418b3406ec963138003 [0,1,0,0,0,0|2,0,1]=4 247 B12R0.234 O=C(O)/C=C/CNCCCCCO 7d145bae8c0bb046bd81ef7fee7cbe94 [0,1,0,0,0,0|2,0,1]=4 248 B12R0.234 O=C(O)/C=C/COCCCCCF ba37850edaaa19116c17d176bfdfa9ee [0,1,0,0,0,0|2,0,1]=4 249 B12R0.234 O=C(O)C=CCNCCCCCCl e71a93684e19cc248b4e355c7346dccc [0,1,0,0,0,0|2,0,1]=4 250 B12R0.234 O=C(O)C=CCNCCCCCF dc886bff0cd68d063b2ffdc47e685fb9 [0,1,0,0,0,0|2,0,1]=4 251 B12R0.234 O=C(O)C=CCNCCCCCO 7e662daa232921c6412e5a89223a3939 [0,1,0,0,0,0|2,0,1]=4 252 B12R0.234 O=C(O)C=CCOCCCCCF f287c73263a6c6a7bbbe2a99f18d5cbe [0,1,0,0,0,0|2,0,1]=4 253 B12R0.248 C/C=C/C=C/COCCC(C)CC 93e996768a9fa94985c45bc3e47146c8 [0,1,0,0,0,0|2,0,1]=4 254 B12R0.248 C=C(C=O)OCCCCCCCC 1c4af6dc31202c6998350da6878d3384 [0,1,0,0,0,0|1,0,2]=4 255 B12R0.248 CC=CC=CCOCCC(C)CC 47336c755e0a3b91a04c24292435483b [0,1,0,0,0,0|2,0,1]=4 256 B12R0.248 CCCCCCCCNC(=O)C=O 8a08c13bee9c51abb915d74ea4361bf9 [0,1,0,0,0,0|1,0,2]=4 257 B12R1.8 BrCCNCCc1ccccc1 44438bbdc203ba2a96e00daceba19cdb [0,0,0,1,0,0|3,0,0]=4 258 B12R1.8 BrCCNCCc1ccccn1 9a06bde2821ec808c3f7baa49dbbb136 [0,0,0,1,0,0|3,0,0]=4 259 B12R1.8 CCCCCNc1ccccc1 91c03911249f1a729a636c2485e854e3 [0,0,0,1,0,0|2,0,0]=3 260 B12R1.8 CCCCCNc1ccccn1 585f24212680e3bfc425e0aec0b439c2 [0,0,0,1,0,0|2,0,0]=3 261 B12R1.8 CCCCCNc1cccnc1 5fa826aa2d84f836457483e84a27413b [0,0,0,1,0,0|3,0,0]=4 262 B12R1.8 CCCCCNc1cccnn1 c04864b1ce8895901d55c47773f3319e [0,0,0,1,0,0|3,0,0]=4 263 B12R1.8 CCCCCNc1ccncc1 c8c0d07b57d58f944b73cd42db77f640 [0,0,0,1,0,0|3,0,0]=4 264 B12R1.8 CCCCCNc1ccncn1 25a4c4b291ffefde654816646b35739d [0,0,0,1,0,0|3,0,0]=4 265 B12R1.8 CCCCCNc1cnccn1 fa0b9188f3e56ceefce39ee8b4a03fc8 [0,0,0,1,0,0|3,0,0]=4 266 B12R1.8 CCCCCNc1ncccn1 e8af30be246b0d8d027630c093836115 [0,0,0,1,0,0|3,0,0]=4 267 B12R1.8 CCCCCOc1ccccn1 c51e7a702fec97dea4ed5e55e57ef936 [0,0,0,1,0,0|2,0,0]=3 268 B12R1.8 CCCCCOc1cccnc1 42835187bb2a96f147e75f8d7bf5c0be [0,0,0,1,0,0|3,0,0]=4 269 B12R1.8 CCCCCOc1ccncc1 3d667a33e0f6f9349f26cd5c20bf8187 [0,0,0,1,0,0|3,0,0]=4 270 B12R1.8 CCCCCOc1cnccn1 d214fa01f0695c1984dcab91b41605a8 [0,0,0,1,0,0|3,0,0]=4 271 B12R1.8 CCCCCOc1ncccn1 e92c8dad1a3a03f4becf613ffbcc2b29 [0,0,0,1,0,0|3,0,0]=4 272 B12R1.8 CCCCNCc1ccccc1 0ab7d34979c69bc4acd6ef46bb666f9a [0,0,0,1,0,0|2,0,0]=3 273 B12R1.8 CCCCNCc1ccccn1 1dacaf15214ef41cb3c2f1c9818fbd94 [0,0,0,1,0,0|2,0,0]=3 274 B12R1.8 CCCCNCc1cccnc1 f62a7991eabce63e2457be2a93ae29e8 [0,0,0,1,0,0|3,0,0]=4 275 B12R1.8 CCCCNCc1cccnn1 e85972a339996fbc97bd1ba24951499a [0,0,0,1,0,0|3,0,0]=4 276 B12R1.8 CCCCNCc1ccncc1 d7fdf09c2c934be58dbd6e9ec30494ab [0,0,0,1,0,0|3,0,0]=4 277 B12R1.8 CCCCNCc1ccncn1 ab29aa919644ad68fa1a0cb61b11887a [0,0,0,1,0,0|3,0,0]=4 278 B12R1.8 CCCCNCc1cnccn1 f13b8a1b0467e90a5ff165ce794eb30c [0,0,0,1,0,0|3,0,0]=4 279 B12R1.8 CCCCNCc1ncccn1 c2fa2e4a793322875ed2fd9d8bae77b5 [0,0,0,1,0,0|3,0,0]=4 280 B12R1.8 CCCCOCc1ccccc1 e7a2ea9d8e76018a19cac6b1863869f7 [0,0,0,1,0,0|2,0,0]=3 281 B12R1.8 CCCCOCc1ccccn1 bdbee8dba51183bb4dac05ec623e6fd7 [0,0,0,1,0,0|2,0,0]=3 282 B12R1.8 CCCCOCc1cccnc1 e919bcaf101899d0377d8f05c8edc329 [0,0,0,1,0,0|3,0,0]=4 283 B12R1.8 CCCCOCc1cccnn1 f5a5f583818e14143d6d5833cfd5183e [0,0,0,1,0,0|3,0,0]=4 284 B12R1.8 CCCCOCc1ccncc1 5c9bdd1b1ccd1eb8838682c13573b707 [0,0,0,1,0,0|3,0,0]=4 285 B12R1.8 CCCCOCc1ccncn1 49d4dcde88a50eb116064e31a63e0c64 [0,0,0,1,0,0|3,0,0]=4 286 B12R1.8 CCCCOCc1cnccn1 69fb81e73c3c77d45793c9f184672475 [0,0,0,1,0,0|3,0,0]=4 287 B12R1.8 CCCCOCc1ncccn1 b00a823080e8e499b38e48274716d854 [0,0,0,1,0,0|3,0,0]=4 288 B12R1.8 CCCNCCc1ccccc1 de4634a5b10be0583379bf36a55fd975 [0,0,0,1,0,0|2,0,0]=3 289 B12R1.8 CCCNCCc1ccccn1 db4179a8136b988593f56bef0e41421d [0,0,0,1,0,0|2,0,0]=3 290 B12R1.8 CCCNCCc1cccnc1 1e462df2b0ae672e64302eccd1ccbf55 [0,0,0,1,0,0|3,0,0]=4 291 B12R1.8 CCCNCCc1ccncc1 75fa7087d9d322d4fb962981385838e0 [0,0,0,1,0,0|3,0,0]=4 292 B12R1.8 CCCNCCc1ccncn1 e758da57ce29f5c1f792d4970f454fad [0,0,0,1,0,0|3,0,0]=4 293 B12R1.8 CCCNCCc1cnccn1 ffa55421166b44bca7b5c68aaafc31c1 [0,0,0,1,0,0|3,0,0]=4 294 B12R1.8 CCCNCCc1ncccn1 268215bde8206e9e70d75eb004cae6ad [0,0,0,1,0,0|3,0,0]=4 295 B12R1.8 CCCOCCc1ccccc1 6ff048bac0fc069e37a7f6359e53917a [0,0,0,1,0,0|2,0,0]=3 296 B12R1.8 CCCOCCc1ccccn1 495b2e5857432868e8dc4db07751a420 [0,0,0,1,0,0|2,0,0]=3 297 B12R1.8 CCCOCCc1cccnc1 04113a7c0c0fc7a249f8441dcdeb4b99 [0,0,0,1,0,0|3,0,0]=4 298 B12R1.8 CCCOCCc1ccncc1 528887ae5600fb3f47428d9b5b2b2fc5 [0,0,0,1,0,0|3,0,0]=4 299 B12R1.8 CCCOCCc1ccncn1 72928c6fa0d97cd8b24b7c5567183baa [0,0,0,1,0,0|3,0,0]=4 300 B12R1.8 CCCOCCc1cnccn1 00b7a2df7c13ee5b18982acf7edc2094 [0,0,0,1,0,0|3,0,0]=4 301 B12R1.8 CCCOCCc1ncccn1 85b59f6e28cb48774a8562b89a016222 [0,0,0,1,0,0|3,0,0]=4 302 B12R1.8 CCNCCCc1ccccc1 b7715a69dd85035a729bcc3298689ab5 [0,0,0,1,0,0|2,0,0]=3 303 B12R1.8 CCNCCCc1ccccn1 048a807537b42fb54187509210f6e12c [0,0,0,1,0,0|2,0,0]=3 304 B12R1.8 CCNCCCc1cccnc1 3373f8695160430ad61e1df554bf48e4 [0,0,0,1,0,0|3,0,0]=4 305 B12R1.8 CCNCCCc1ccncc1 1312ae4c95d1a1c5d3e95a7869565a5a [0,0,0,1,0,0|3,0,0]=4 306 B12R1.8 CCNCCOc1ccccc1 d5ddae3ded59ed35e9c0403b52d833f2 [0,0,0,1,0,0|3,0,0]=4 307 B12R1.8 CCNCCOc1ccccn1 f517badbab06764c0d778d5166959ef7 [0,0,0,1,0,0|3,0,0]=4 308 B12R1.8 CCOCCCC1=CCC=CC1 c736e524db2f6bc6d387404d01ab523e [0,0,0,1,0,0|2,0,1]=4 309 B12R1.8 CCOCCCc1ccccc1 95c4d5e38aabc377fa248d955f0dc679 [0,0,0,1,0,0|2,0,0]=3 310 B12R1.8 CCOCCCc1ccccn1 859085eeaedc4a3c650b307e46d76a73 [0,0,0,1,0,0|2,0,0]=3 311 B12R1.8 CCOCCCc1cccnc1 5173637fbf4b8276cf79cd9d0837d422 [0,0,0,1,0,0|3,0,0]=4 312 B12R1.8 CCOCCCc1ccncc1 48fe4d63de940c0c26169b537e6586f9 [0,0,0,1,0,0|3,0,0]=4 313 B12R1.8 CCOCCCc1cnccn1 96377e577044f54d4eefcfd8ca347005 [0,0,0,1,0,0|3,0,0]=4 314 B12R1.8 CCOCCCc1ncccn1 91b7e5dbb1003691bde7168b7868a4b2 [0,0,0,1,0,0|3,0,0]=4 315 B12R1.8 CCOCCNc1ccccc1 d4241708f39fbdf3b0b47b3411df7d4e [0,0,0,1,0,0|3,0,0]=4 316 B12R1.8 CCOCCNc1ccccn1 c924cdaad90ee79ffea92abd5325e8fd [0,0,0,1,0,0|3,0,0]=4 317 B12R1.8 CCOCCOc1ccccc1 7cc50880b35d5d523b8ebe021571ca68 [0,0,0,1,0,0|3,0,0]=4 318 B12R1.8 CCOCCOc1ccccn1 f5da0aa9fa2ad7dc4a95c1eb6c04963e [0,0,0,1,0,0|3,0,0]=4 319 B12R1.8 CCOCCSc1ccccc1 673ed7aececbd7276e2d946a99a864ba [0,0,0,1,0,0|3,0,0]=4 320 B12R1.8 CCOCCSc1ccccn1 39f6195046a78c2bf820f28d6480fc87 [0,0,0,1,0,0|3,0,0]=4 321 B12R1.8 CCOCNCc1ccccc1 ad1ac49e8362d6c3a7ef7f4bc168f4ac [0,0,0,1,0,0|3,0,0]=4 322 B12R1.8 CCOCNCc1ccccn1 ee5ecc87187447710671c4e404ab5d67 [0,0,0,1,0,0|3,0,0]=4 323 B12R1.8 CCOCOCc1ccccn1 14f99fa0e6d24bdb50dcb8c7585da890 [0,0,0,1,0,0|3,0,0]=4 324 B12R1.8 CCSCCNc1ccccc1 3aa28a6af03561c4dff60fa2d0f2630b [0,0,0,1,0,0|3,0,0]=4 325 B12R1.8 CCSCCNc1ccccn1 9ac125fe19f7981ccaa6c3050039d522 [0,0,0,1,0,0|3,0,0]=4 326 B12R1.8 CCSCCOc1ccccn1 fb856e4b8d5fc3246866ee7d11418749 [0,0,0,1,0,0|3,0,0]=4 327 B12R1.8 COCCCNc1ccccc1 3df3fc4fbaedb1dd760b4a37be035630 [0,0,0,1,0,0|3,0,0]=4 328 B12R1.8 COCCCNc1ccccn1 b3704682ea886739d8d3ef30bc747ee7 [0,0,0,1,0,0|3,0,0]=4 329 B12R1.8 COCCCOc1ccccn1 43bfda6a85c42f66b9ce84c1adba5682 [0,0,0,1,0,0|3,0,0]=4 330 B12R1.8 COCCNCc1ccccc1 8a36d3044a8140246d8590cb65467526 [0,0,0,1,0,0|3,0,0]=4 331 B12R1.8 COCCNCc1ccccn1 3f19c45c0ff011efc1b5c3ee20b6b35e [0,0,0,1,0,0|3,0,0]=4 332 B12R1.8 COCCOCc1ccccc1 b9f846e77ac1098b75510b938c502133 [0,0,0,1,0,0|3,0,0]=4 333 B12R1.8 COCCOCc1ccccn1 86c9ea446a5f0c2dbf739a9c1ec4af6f [0,0,0,1,0,0|3,0,0]=4 334 B12R1.8 COCNCCc1ccccc1 a912e7467b1cfbc21e322d32a6dcd9f6 [0,0,0,1,0,0|3,0,0]=4 335 B12R1.8 COCNCCc1ccccn1 d2388531e21389a0bbeb6695b6cea49d [0,0,0,1,0,0|3,0,0]=4 336 B12R1.8 COCOCCc1ccccc1 770adb91b0343cd94d912838fb402d30 [0,0,0,1,0,0|3,0,0]=4 337 B12R1.8 COCOCCc1ccccn1 844ec6012059e3e290cbbc2ae5f59230 [0,0,0,1,0,0|3,0,0]=4 338 B12R1.8 CSCCCNc1ccccc1 4e1411f18abc16ae61e9748ad3fe9913 [0,0,0,1,0,0|3,0,0]=4 339 B12R1.8 CSCCCNc1ccccn1 80fd9025455749dcd8da4ebce8a4f0a8 [0,0,0,1,0,0|3,0,0]=4 340 B12R1.8 CSCCCOc1ccccn1 3ffe432bdcd1a250a9ca21e1fd86b1e9 [0,0,0,1,0,0|3,0,0]=4 341 B12R1.8 CSCCNCc1ccccc1 0d4e7f51d968ec32ec790202ae2a515e [0,0,0,1,0,0|3,0,0]=4 342 B12R1.8 CSCCNCc1ccccn1 1637bb4fe5437c10ef5060198d868124 [0,0,0,1,0,0|3,0,0]=4 343 B12R1.8 CSCCOCc1ccccc1 84c183c4a4472a4f34bccedb678bad7b [0,0,0,1,0,0|3,0,0]=4 344 B12R1.8 CSCCOCc1ccccn1 4347aa5a5271fb25a5cc77c30dfa8a82 [0,0,0,1,0,0|3,0,0]=4 345 B12R1.8 CSCNCCc1ccccc1 8cb9946ee650f17d4a684e0a1795e862 [0,0,0,1,0,0|3,0,0]=4 346 B12R1.8 CSCNCCc1ccccn1 1805bded532b1b9756c352b14606e2a1 [0,0,0,1,0,0|3,0,0]=4 347 B12R1.8 CSCOCCc1ccccc1 ae45fc1dadd522ae78b6ec0b53b58cbe [0,0,0,1,0,0|3,0,0]=4 348 B12R1.8 CSCOCCc1ccccn1 40581d5eea60828490877c6330a8a9e0 [0,0,0,1,0,0|3,0,0]=4 349 B12R1.8 ClCCCCNc1ccccc1 8d4b10d9b5325336494f2a30a6b84cc2 [0,0,0,1,0,0|3,0,0]=4 350 B12R1.8 ClCCCCNc1ccccn1 91d68bf25a8019630edf3def244c8724 [0,0,0,1,0,0|3,0,0]=4 351 B12R1.8 ClCCCNCc1ccccc1 8f799c9e441fd632be62e26270cf2f35 [0,0,0,1,0,0|3,0,0]=4 352 B12R1.8 ClCCCNCc1ccccn1 96ae9d70c035a2cbcba2fe24aaa3ffdc [0,0,0,1,0,0|3,0,0]=4 353 B12R1.8 FCCCCNc1ccccc1 8c2145855632f0dc060333e90dbf6d6e [0,0,0,1,0,0|3,0,0]=4 354 B12R1.8 FCCCCNc1ccccn1 3356af4d3cce46c847f383ba1fe33929 [0,0,0,1,0,0|3,0,0]=4 355 B12R1.8 FCCCCOc1ccccn1 e938132a19c063e02459ae67d61d9932 [0,0,0,1,0,0|3,0,0]=4 356 B12R1.8 FCCCNCc1ccccc1 6d1372e4372415cb5d41d01b1ced7571 [0,0,0,1,0,0|3,0,0]=4 357 B12R1.8 FCCCNCc1ccccn1 bebe8fe2bd3d1beb1ac8cad20fd3191a [0,0,0,1,0,0|3,0,0]=4 358 B12R1.8 FCCCOCc1ccccc1 ec8c223bdd42642bcadc9c3ef97f9c25 [0,0,0,1,0,0|3,0,0]=4 359 B12R1.8 FCCCOCc1ccccn1 528370285b3b5e280a7693ede1e62dba [0,0,0,1,0,0|3,0,0]=4 360 B12R1.8 FCCNCCc1ccccc1 361355d651ba3401fa85cac238cfdb0b [0,0,0,1,0,0|3,0,0]=4 361 B12R1.8 FCCNCCc1ccccn1 29c8a9f54fc2a477b50973596a269acb [0,0,0,1,0,0|3,0,0]=4 362 B12R1.8 FCCOCCc1ccccc1 3b5b20f3626d4389ca61c96c4166e57a [0,0,0,1,0,0|3,0,0]=4 363 B12R1.8 FCCOCCc1ccccn1 656fc26896d540955c618d694ea4c322 [0,0,0,1,0,0|3,0,0]=4 364 B12R1.8 FCNCCCc1ccccc1 36413a7a64ebaf0c06144ade57dac471 [0,0,0,1,0,0|3,0,0]=4 365 B12R1.8 FCNCCCc1ccccn1 540e815b69c598f8c06e83b81e832380 [0,0,0,1,0,0|3,0,0]=4 366 B12R1.8 FCOCCCc1ccccc1 337af886dc35840fb3b320f6a2c82837 [0,0,0,1,0,0|3,0,0]=4 367 B12R1.8 FCOCCCc1ccccn1 2e559e01a296a0de86a304e4360dee8e [0,0,0,1,0,0|3,0,0]=4 368 B12R1.8 ICCNCCc1ccccc1 3d43af0eb4bc8ed1c19be50fd2591b44 [0,0,0,1,0,0|3,0,0]=4 369 B12R1.8 ICCNCCc1ccccn1 3a2513367ab7cf9a5f37f82491c73a54 [0,0,0,1,0,0|3,0,0]=4 370 B12R1.8 O=C/C=C/COC1CCCCC1 27a88d1913d29f66be4c7436f6f95058 [0,0,0,1,0,0|1,0,1]=3 371 B12R1.8 O=C/C=C/COC1CCCCO1 4ee928a8d25816c8aa244a9b7b13d75a [0,0,0,1,0,0|2,0,1]=4 372 B12R1.8 O=C/C=C/COC1CCCOC1 0e045024ac4f3a4559727759ff02487c [0,0,0,1,0,0|2,0,1]=4 373 B12R1.8 O=C/C=C/COC1CCOCC1 27fc77a4c075de8b9d98e073afd82213 [0,0,0,1,0,0|2,0,1]=4 374 B12R1.8 O=C/C=C/COC1CCSCC1 d126f900252a646c9d59b1d0753ef245 [0,0,0,1,0,0|2,0,1]=4 375 B12R1.8 OCCCCNc1ccccc1 2154e665ebfa9ee647e239d5a23b3bbd [0,0,0,1,0,0|3,0,0]=4 376 B12R1.8 OCCCCNc1ccccn1 13b989e40aa07edcb6de17c9446b591d [0,0,0,1,0,0|3,0,0]=4 377 B12R1.8 OCCCNCc1ccccc1 1f43a365b69733d9fd54c3f1367679b4 [0,0,0,1,0,0|3,0,0]=4 378 B12R1.8 OCCCNCc1ccccn1 2db74cd30f61e8e3f9c52c7133bf4507 [0,0,0,1,0,0|3,0,0]=4 379 B12R1.8 OCCNCCc1ccccc1 6832b0d8880be8700c4d8c29ed63036c [0,0,0,1,0,0|3,0,0]=4 380 B12R1.8 OCCNCCc1ccccn1 192e21053d8ac918db362a708882a85e [0,0,0,1,0,0|3,0,0]=4 381 B12R1.8 OCNCCCc1ccccc1 4af827ec2909e74315445a370a932107 [0,0,0,1,0,0|3,0,0]=4 382 B12R1.8 OCNCCCc1ccccn1 b4b77985940d9e7029052ba013ff39f2 [0,0,0,1,0,0|3,0,0]=4 383 B12R1.8 SCCCCNc1ccccc1 ed2d9d7f95071d0803e58eb2622dd581 [0,0,0,1,0,0|3,0,0]=4 384 B12R1.8 SCCCCNc1ccccn1 8db86b31e92529d8508911c90bd3155e [0,0,0,1,0,0|3,0,0]=4 385 B12R1.8 SCCCNCc1ccccc1 66312e7d4ce4f899347700206744a721 [0,0,0,1,0,0|3,0,0]=4 386 B12R1.8 SCCCNCc1ccccn1 bc507d54c38f34dd3e4362708255f752 [0,0,0,1,0,0|3,0,0]=4 387 B12R1.8 SCCCOCc1ccccc1 a40983423638d779f7a71c708a989b8f [0,0,0,1,0,0|3,0,0]=4 388 B12R1.8 SCCCOCc1ccccn1 89b32eb12d51f5c6bc232ac75f5b9e1c [0,0,0,1,0,0|3,0,0]=4 389 B12R1.8 SCCNCCc1ccccc1 77f9cf13a4d370b17f1b8a888b3044b3 [0,0,0,1,0,0|3,0,0]=4 390 B12R1.8 SCCNCCc1ccccn1 ee52ad5cacea42a063542560ca02c6c5 [0,0,0,1,0,0|3,0,0]=4 391 B12R1.8 SCCOCCc1ccccc1 622b11be5805e98ac28331a5544396fa [0,0,0,1,0,0|3,0,0]=4 392 B12R1.8 SCCOCCc1ccccn1 820fc7c612ac0b816564f27a6a32eeec [0,0,0,1,0,0|3,0,0]=4 393 B12R1.18 CCCNc1cccccc1=O 09505d7ac1be0a057eeab434bb2dc286 [0,0,0,1,0,0|1,0,2]=4 394 B12R1.18 CCCOc1cccccc1=O c6bf279e24481c309b0f02f4f9001ec6 [0,0,0,1,0,0|1,0,2]=4 395 B12R1.37 C/C=C/C=C/COC1CCCC1 115599a8d574a1cd4bbabb4dcaa4591a [0,0,0,1,0,0|2,0,1]=4 396 B12R1.37 CC=CC=CCOC1CCCC1 41804c418969548c5898f409c2fd3c59 [0,0,0,1,0,0|2,0,1]=4 397 B12R1.37 CCCCCCNc1c[nH]cn1 40074b44398f1c9c77b85f32f15b53b2 [0,0,0,1,0,0|3,0,0]=4 398 B12R1.37 CCCCCCNc1cc[nH]n1 3148f9e0461a53183443478606246955 [0,0,0,1,0,0|3,0,0]=4 399 B12R1.37 CCCCCCNc1ccco1 968a4d53efe53ed5a3a5c1a565e3ec23 [0,0,0,1,0,0|1,0,1]=3 400 B12R1.37 CCCCCCNc1cccs1 bf48127587b06273bab9ebca077b5815 [0,0,0,1,0,0|1,1,0]=3 401 B12R1.37 CCCCCCNc1ccno1 3513a7e9da93e433db06c4f2c4f23f00 [0,0,0,1,0,0|2,0,1]=4 402 B12R1.37 CCCCCCNc1ccns1 bded65b24f3f3333715803c8eb9ca265 [0,0,0,1,0,0|2,1,0]=4 403 B12R1.37 CCCCCCNc1ccoc1 f72dce0dd181a5c2b053e7bfd6cecb7c [0,0,0,1,0,0|3,0,0]=4 404 B12R1.37 CCCCCCNc1ccon1 f84894efa6811042a1d95df15ac84c11 [0,0,0,1,0,0|3,0,0]=4 405 B12R1.37 CCCCCCNc1ccsc1 5ba40a52416a11397194d3617b38f0ff [0,0,0,1,0,0|3,0,0]=4 406 B12R1.37 CCCCCCNc1ccsn1 1688dcda3d7f7f4e93eb477646252cad [0,0,0,1,0,0|3,0,0]=4 407 B12R1.37 CCCCCCNc1cncs1 d8341e1253260c6d547cf99ffbd52094 [0,0,0,1,0,0|2,1,0]=4 408 B12R1.37 CCCCCCNc1cocn1 3fce68ea3ae9ff5f79aae5f384422067 [0,0,0,1,0,0|3,0,0]=4 409 B12R1.37 CCCCCCNc1cscn1 2e48a14978e1beb847d450cd5f763767 [0,0,0,1,0,0|3,0,0]=4 410 B12R1.37 CCCCCCNc1ncc[nH]1 d669ad0f6d2ccb08e4102c7d2dfeb3ca [0,0,0,1,0,0|3,0,0]=4 411 B12R1.37 CCCCCCNc1ncco1 7f75a2f3d83be84f9238bb2ec2ea4b89 [0,0,0,1,0,0|2,0,1]=4 412 B12R1.37 CCCCCCNc1nccs1 a1c5f520fb791f13ea1dcc2561f9dd22 [0,0,0,1,0,0|2,1,0]=4 413 B12R1.37 CCCCCCOc1c[nH]cn1 96ff707d732c13c887499744bc39afb8 [0,0,0,1,0,0|3,0,0]=4 414 B12R1.37 CCCCCCOc1ccco1 8cfc09f94ff03b23af7786a6374c9abc [0,0,0,1,0,0|1,0,1]=3 415 B12R1.37 CCCCCCOc1cccs1 070c0abad0bd74d2aa6d0550a9407a80 [0,0,0,1,0,0|1,1,0]=3 416 B12R1.37 CCCCCCOc1ccn[nH]1 be37dd9ac17a8f7b387e58e450f21392 [0,0,0,1,0,0|3,0,0]=4 417 B12R1.37 CCCCCCOc1ccsc1 a7610cf63e6a46c86b579b49f9213938 [0,0,0,1,0,0|3,0,0]=4 418 B12R1.37 CCCCCCOc1nccs1 1b94b9d523c7806b19caf3c440d6c096 [0,0,0,1,0,0|2,1,0]=4 419 B12R1.37 CCCCCCOn1cccn1 345ae6bfcb22c27693bab47fe62574bc [0,0,0,1,0,0|3,0,0]=4 420 B12R1.37 CCCCCNCc1ccc[nH]1 4972a95719ca23336fe1ccde1dd83965 [0,0,0,1,0,0|2,0,1]=4 421 B12R1.37 CCCCCNCc1ccco1 0d2a7e7994936d84447dd28ebeebbe81 [0,0,0,1,0,0|1,0,2]=4 422 B12R1.37 CCCCCNCc1cccs1 30a16cf6045cd6a979edeb8ea9c67ec8 [0,0,0,1,0,0|1,1,1]=4 423 B12R1.37 CCCCCOCc1ccc[nH]1 c6cf61e284f1a95e7704028fc5f55e92 [0,0,0,1,0,0|2,0,1]=4 424 B12R1.37 CCCCCOCc1ccco1 557c89e123001911e56b3421696ebf11 [0,0,0,1,0,0|1,0,2]=4 425 B12R1.37 CCCCCOCc1cccs1 716f5ef80df92e2eee4a94e9c3a11b66 [0,0,0,1,0,0|1,1,1]=4 426 B12R1.37 CCCCNCCc1ccc[nH]1 c02374a3ca2c4345120278559a42eecd [0,0,0,1,0,0|2,0,1]=4 427 B12R1.37 CCCCNCCc1ccco1 f1a6e7bef760ebee5097e21f3ac2dc8c [0,0,0,1,0,0|1,0,2]=4 428 B12R1.37 CCCCNCCc1cccs1 f21b64dece9c8f92246b4a0e33c125b0 [0,0,0,1,0,0|1,1,1]=4 429 B12R1.37 CCCCOCCc1ccc[nH]1 2a249f4ef911c7d8e77cd7a1400e21b3 [0,0,0,1,0,0|2,0,1]=4 430 B12R1.37 CCCCOCCc1ccco1 fbd46e274ee803351ace623e362366aa [0,0,0,1,0,0|1,0,2]=4 431 B12R1.37 CCCCOCCc1cccs1 47097e7bfcc74e542094fab3faba3fa4 [0,0,0,1,0,0|1,1,1]=4 432 B12R1.37 CCCCOCNc1cccs1 e6a9c840101fc5d2277e28907e0a3057 [0,0,0,1,0,0|2,1,0]=4 433 B12R1.37 CCCCOCOc1ccco1 37b5cb0df1be3d07e3423079c32f51cf [0,0,0,1,0,0|2,0,1]=4 434 B12R1.37 CCCCOCOc1cccs1 40bd70d14e98721091d9dec013007886 [0,0,0,1,0,0|2,1,0]=4 435 B12R1.37 CCCNCCCc1ccco1 e946fe96bad1891961df03e2504913dd [0,0,0,1,0,0|1,0,2]=4 436 B12R1.37 CCCNCCCc1cccs1 5e39c9a3a52187712d908cfe7b654ca6 [0,0,0,1,0,0|1,1,1]=4 437 B12R1.37 CCCOCCCc1ccco1 9ac4b1617711b1fd2f4c01a3eb503ef4 [0,0,0,1,0,0|1,0,2]=4 438 B12R1.37 CCCOCCCc1cccs1 b0f36c3251f8921b968d646ef63acb5a [0,0,0,1,0,0|1,1,1]=4 439 B12R1.37 CCCOCCNc1ccco1 8d68c5300e47b2038abfedbfe4d962a8 [0,0,0,1,0,0|2,0,1]=4 440 B12R1.37 CCCOCCNc1cccs1 95458c4383ef197cae93db787f93a7df [0,0,0,1,0,0|2,1,0]=4 441 B12R1.37 CCCOCCOc1ccco1 6e5594438d3b11a273cfad0fca0a5c12 [0,0,0,1,0,0|2,0,1]=4 442 B12R1.37 CCCOCCOc1cccs1 f101b9a259eb6a3b034a487085a8bb2c [0,0,0,1,0,0|2,1,0]=4 443 B12R1.37 CCCOCCSc1cccs1 6cd7fd1030ca8453b2d2cb9d47bce831 [0,0,0,1,0,0|2,1,0]=4 444 B12R1.37 CCOCCCNc1ccco1 a0f55163af793cdce97bc53d43246cbe [0,0,0,1,0,0|2,0,1]=4 445 B12R1.37 CCOCCCNc1cccs1 680ea2e0e49af47f4bf724a15dc2971a [0,0,0,1,0,0|2,1,0]=4 446 B12R1.37 CCOCCCOc1ccco1 483a4ea87e24f62e80b59024bc4e2c12 [0,0,0,1,0,0|2,0,1]=4 447 B12R1.37 CCOCCCOc1cccs1 b4537dae9c4e459bcf4efe301b1dfa74 [0,0,0,1,0,0|2,1,0]=4 448 B12R1.37 CCSCCCNc1cccs1 286970b63a90b3d92ab7e429af023f35 [0,0,0,1,0,0|2,1,0]=4 449 B12R1.37 CCSCCCOc1ccco1 429e9f0ba3449bc18e5902b2f7d367e7 [0,0,0,1,0,0|2,0,1]=4 450 B12R1.37 CCSCCCOc1cccs1 ead9914044ba0c72ad4c7e5d373c2554 [0,0,0,1,0,0|2,1,0]=4 451 B12R1.37 COCCCCNc1ccco1 8583168a7388f1e4de7508379a044749 [0,0,0,1,0,0|2,0,1]=4 452 B12R1.37 COCCCCNc1cccs1 b47225e459debf6e2bbc9eaaaec2e9e8 [0,0,0,1,0,0|2,1,0]=4 453 B12R1.37 COCCCCOc1ccco1 8ae68e11cd9a5365d07e7cd515462634 [0,0,0,1,0,0|2,0,1]=4 454 B12R1.37 COCCCCOc1cccs1 0e0de49194f5c9f1c06d618dcaf747b0 [0,0,0,1,0,0|2,1,0]=4 455 B12R1.37 CSCCCCNc1ccco1 aa4e809c87c093ed87de940e9d669ad4 [0,0,0,1,0,0|2,0,1]=4 456 B12R1.37 CSCCCCNc1cccs1 64c6a5cee3cea07ecc62e3a65918cf9e [0,0,0,1,0,0|2,1,0]=4 457 B12R1.37 ClCCCCCNc1ccco1 26e3b4b29d7d715b2446401bef315908 [0,0,0,1,0,0|2,0,1]=4 458 B12R1.37 ClCCCCCNc1cccs1 b9288760f3b2f82bcca49156deffd949 [0,0,0,1,0,0|2,1,0]=4 459 B12R1.37 FCCCCCNc1cccs1 d86da8d65ec85d3266ab0323ba86eaa4 [0,0,0,1,0,0|2,1,0]=4 460 B12R1.37 FCCCCCOc1ccco1 96bdcddab9c00c7de8e25fc7de70ff24 [0,0,0,1,0,0|2,0,1]=4 461 B12R1.37 FCCCCCOc1cccs1 ff4c9406a14470a0f82f54cc5f0a2d18 [0,0,0,1,0,0|2,1,0]=4 462 B12R1.37 O=C/C=C/COCC1CCCC1 221248c642f6915a47d77459c15797da [0,0,0,1,0,0|1,0,1]=3 463 B12R1.37 O=C/C=C/COCC1CCCO1 7d7bc2a0b7174a0e44ecebdcc05eaa9c [0,0,0,1,0,0|2,0,1]=4 464 B12R1.37 O=C/C=C/COCC1CCOC1 782343290b22d7755c156778e1fb585d [0,0,0,1,0,0|2,0,1]=4 465 B12R1.37 OCCCCCNc1ccco1 0eb7973a95598c1a9349744b06c91ec5 [0,0,0,1,0,0|2,0,1]=4 466 B12R1.37 OCCCCCNc1cccs1 6f9543ccefac157cfb355e641ed2b67d [0,0,0,1,0,0|2,1,0]=4 467 B12R1.45 CCCCNc1cc[nH]c1C=O 2a31b5d4b8ea717acdf9faddcf6281e6 [0,0,0,1,0,0|2,0,1]=4 468 B12R1.45 CCCCNc1ccoc1C=O 6518f356549757c51bbb94bd0d68b142 [0,0,0,1,0,0|2,0,1]=4 469 B12R1.45 CCCCNc1ccsc1C=O 1ae41d5cc0ff3749ce59efa0f3937cd6 [0,0,0,1,0,0|2,0,1]=4 470 B12R1.45 CCCCNc1cocc1C=O de11d0fcd3c351fdafa6a0dd94b6ca80 [0,0,0,1,0,0|2,0,1]=4 471 B12R1.45 CCCCNc1sccc1C=O 5f6fa5352ac831dbe35891c9f8a68e41 [0,0,0,1,0,0|2,0,1]=4 472 B12R1.121 CCCNc1ccccc1C=O d39fa7b2696866eb4a1bc9c52327bd08 [0,0,0,1,0,0|1,0,2]=4 473 B12R1.121 CCCNc1ncccc1C=O 34e8f7ec9231ec60a7b4ff1563d2cf4c [0,0,0,1,0,0|2,0,1]=4 474 B12R1.121 CCCOc1ccccc1C=O 96e764f50eca112b9923d943250c3345 [0,0,0,1,0,0|1,0,2]=4 475 B12R1.267 CCCCNc1c[nH]ccc1=O 2171ac1739f21a07081f9ae550f8b6ac [0,0,0,1,0,0|2,0,1]=4 476 B12R1.267 CCCCNc1ccc[nH]c1=O ce3e3dbadb26f7436b51db73de858518 [0,0,0,1,0,0|2,0,1]=4 477 B12R1.267 CCCCNc1ccccc1C cb964fe2d8cfd23c2726cd74a242470b [0,0,0,1,0,0|2,0,1]=4 478 B12R1.267 CCCCNc1ccccc1Cl 6e7205e8041766fa9aa32cc4e4316fea [0,0,0,1,0,0|2,0,1]=4 479 B12R1.267 CCCCNc1ccccc1F 93bd26ef4df061c2dc223f5480ce42a3 [0,0,0,1,0,0|2,0,1]=4 480 B12R1.267 CCCCNc1ccccc1I 8f5af43ba97bf9951ca4d8417a9a57f0 [0,0,0,1,0,0|2,0,1]=4 481 B12R1.267 CCCCOc1ccccc1Br bcff99237489f480dc72197e24e0097e [0,0,0,1,0,0|2,0,1]=4 482 B12R1.267 CCCCOc1ccccc1C 803afc2ce1e6d5fa1371cac971668549 [0,0,0,1,0,0|2,0,1]=4 483 B12R1.267 CCCCOc1ccccc1Cl 6c2563b268f47d5f170b183906091886 [0,0,0,1,0,0|2,0,1]=4 484 B12R1.267 CCCCOc1ccccc1F 9ca00bd7723e1d9e4d21ded7a0988504 [0,0,0,1,0,0|2,0,1]=4 485 B12R1.267 CCCCOc1ccccc1I 08781f94c441e6933e92e36c0080d909 [0,0,0,1,0,0|2,0,1]=4 486 B12R1.267 CCCCOc1ccccc1S 9afce9d077af63044cd79db09184fde8 [0,0,0,1,0,0|1,1,1]=4 487 B12R1.267 CCCCOc1cccoc1=O fbc49b8367347726350d6c0059a469cb [0,0,0,1,0,0|2,0,1]=4 488 B12R1.267 CCCCOc1coccc1=O 04c68206066ebe73f7acc5e776ca1f43 [0,0,0,1,0,0|2,0,1]=4 489 B12R1.267 CCCCOn1ccccc1=N 32ad87ebf11ce06103d90b026c61e876 [0,0,0,1,0,0|3,0,0]=4 490 B12R1.267 CCCCOn1ccccc1=O 42c813425d770bfeb2151f1fa43ba34c [0,0,0,1,0,0|2,0,0]=3 491 B12R1.267 CCCCOn1ccccc1=S c288e4f8eec520decee2174f91202f93 [0,0,0,1,0,0|2,1,0]=4 492 B12R1.267 CCCNCc1ccccc1Br bd58bf891f73040a234956b6adaf58b7 [0,0,0,1,0,0|2,0,1]=4 493 B12R1.267 CCCNCc1ccccc1C 050fe1959a544b7272683da7815962b7 [0,0,0,1,0,0|2,0,1]=4 494 B12R1.267 CCCNCc1ccccc1Cl 9af8efc228c85cb32fd226498427ad88 [0,0,0,1,0,0|2,0,1]=4 495 B12R1.267 CCCNCc1ccccc1F 10db1bdfdcada70cdd61f937a45d1f2e [0,0,0,1,0,0|2,0,1]=4 496 B12R1.267 CCCNCc1ccccc1I a2ce2cbd3d3a9276a9c0f47a371bdac6 [0,0,0,1,0,0|2,0,1]=4 497 B12R1.267 CCCOCc1ccc[nH]c1=O e6acbb43398249bcbb739562d726fb3f [0,0,0,1,0,0|2,0,1]=4 498 B12R1.267 CCCOCc1ccccc1C 69819a6d99087ea23f1233c6ad1452d2 [0,0,0,1,0,0|2,0,1]=4 499 B12R1.267 CCCOCc1ccccc1Cl be8fb5e4d0358fc76e083c2c1033dd16 [0,0,0,1,0,0|2,0,1]=4 500 B12R1.267 CCCOCc1ccccc1F 817daa4caad3d25d218a0e50ef2066fb [0,0,0,1,0,0|2,0,1]=4 501 B12R1.267 CCCOCc1ccccc1I ce9ddc1d6dd0a2595b0faa5a82ad4942 [0,0,0,1,0,0|2,0,1]=4 502 B12R1.267 CCNCCc1ccccc1Cl b462d134ed26b2145f2b3576e4d12230 [0,0,0,1,0,0|2,0,1]=4 503 B12R1.267 CCNCCc1ccccc1F dee7dcb89926d867dd249445cc929612 [0,0,0,1,0,0|2,0,1]=4 504 B12R1.267 CCNCCn1ccccc1=O 506f5f99c13f40cbc85b2b5102c6d01d [0,0,0,1,0,0|2,0,0]=3 505 B12R1.267 CCNCCn1ncccc1=O cd95a9d85fe1bb0d59dac7ffae1487b2 [0,0,0,1,0,0|3,0,0]=4 506 B12R1.267 CCOCCc1ccccc1Br ff423992d371a6fc4a4fd1c88d225519 [0,0,0,1,0,0|2,0,1]=4 507 B12R1.267 CCOCCc1ccccc1C 60652323b8b6e9b1615ced7c97b2a1b4 [0,0,0,1,0,0|2,0,1]=4 508 B12R1.267 CCOCCc1ccccc1Cl 69a4003c1b2444e1ffe9dabcded8220b [0,0,0,1,0,0|2,0,1]=4 509 B12R1.267 CCOCCc1ccccc1F afa3523c66ce915b25923508bd683d81 [0,0,0,1,0,0|2,0,1]=4 510 B12R1.267 CCOCCc1ccccc1I e3f39fece90b0172c387ddafe972d300 [0,0,0,1,0,0|2,0,1]=4 511 B12R1.267 CCOCCn1ccccc1=O a039d6e7a80464ced710f04fc1b35557 [0,0,0,1,0,0|2,0,0]=3 512 B12R1.267 CCOCOn1ccccc1=O 3247c163b77fa2c903b7bc55fc56ffb7 [0,0,0,1,0,0|3,0,0]=4 513 B12R1.267 COCCOn1ccccc1=O df7afbf98570b20a240740b67768ac2b [0,0,0,1,0,0|3,0,0]=4 514 B12R1.267 CSCCOn1ccccc1=O 905a9389d51088d8c6e5cd9cfa89afb5 [0,0,0,1,0,0|3,0,0]=4 515 B12R1.267 O=c1ccccn1CCNCF b621c0e58b7defa6a90b9cfb1a445aab [0,0,0,1,0,0|3,0,0]=4 516 B12R1.267 O=c1ccccn1CCNCO 3559c0f89bc9fedc2e675cb91525713d [0,0,0,1,0,0|3,0,0]=4 517 B12R1.267 O=c1ccccn1CCOCF 4e341183821f5dff83454eca2a5cb454 [0,0,0,1,0,0|3,0,0]=4 518 B12R1.267 O=c1ccccn1OCCCF 5142835e54db0b1c7587fe333ed0a53d [0,0,0,1,0,0|3,0,0]=4 519 B12R1.267 O=c1ccccn1OCCCS 8dc134fdbd19db1a511773b80820d05f [0,0,0,1,0,0|3,0,0]=4 520 B12R1.272 C/C=C/C=C/COCC1CCC1 3a93077383fb1c679a4ad0b4a6ff881c [0,0,0,1,0,0|2,0,1]=4 521 B12R1.272 CC=CC=CCOCC1CCC1 907c989d64695b62204cc828676eca01 [0,0,0,1,0,0|2,0,1]=4 522 B12R1.272 O=C/C=C/COCCC1CCC1 fac7cbbf74f80af00512787a00a30ddb [0,0,0,1,0,0|1,0,1]=3 523 B12R1.272 O=C/C=C/COCCC1CCO1 177ff74e3768b3eebe7dc8fd978ba1d6 [0,0,0,1,0,0|2,0,1]=4 524 B12R1.272 O=C/C=C/COCCC1COC1 abe41ab98bdb98568fc17fc7b5b83d63 [0,0,0,1,0,0|2,0,1]=4 525 B12R1.320 CCCCn1nccc1NC=O 1b9e88bd0f705d7fc98378a522d6acc3 [0,0,0,1,0,0|3,0,0]=4 526 B12R1.372 CCCCCNc1cccn1C fa6ba3dc89046e2bb975f0c7b0942de8 [0,0,0,1,0,0|3,0,0]=4 527 B12R1.372 CCCCCNc1ccsc1C 4ef7c6d61cb81ed140c71a5d21189f75 [0,0,0,1,0,0|3,0,0]=4 528 B12R1.372 CCCCCNc1cscc1C b36a2002d151044ac0ee3ddd8ff8eccc [0,0,0,1,0,0|3,0,0]=4 529 B12R1.372 CCCCCNc1sccc1C f7a6a7e0048b01a8b567fd08c19a2c30 [0,0,0,1,0,0|3,0,0]=4 530 B12R1.372 CCCCCOC1=CCCC1=O aced0a663d03525810afb4d7d1fd266e [0,0,0,1,0,0|1,0,2]=4 531 B12R1.372 CCCCCOc1cccn1C 9b50b6516b4125c7b5ce8c981bc7ca14 [0,0,0,1,0,0|3,0,0]=4 532 B12R1.372 CCCCNCc1cccn1C 3ee985f14e03ef5085094e7129b98c7a [0,0,0,1,0,0|3,0,0]=4 533 B12R1.372 CCCCNCc1ccoc1C 0aaca2b7d591bc7ed7f1879f1eeaab8c [0,0,0,1,0,0|3,0,0]=4 534 B12R1.372 CCCCNCc1ccsc1Br dbce604f062e67221c0390a3d7028602 [0,0,0,1,0,0|3,0,0]=4 535 B12R1.372 CCCCNCc1ccsc1Cl 1d8061e692861f8f180dcb7b965d40c3 [0,0,0,1,0,0|3,0,0]=4 536 B12R1.372 CCCCNCc1cscc1Br 6ba4487a683acaaf5ea1dcfc7088bb31 [0,0,0,1,0,0|3,0,0]=4 537 B12R1.372 CCCCNCc1occc1C 747f21cebab29afb046bc7a06d1f41cd [0,0,0,1,0,0|3,0,0]=4 538 B12R1.372 CCCCNCc1sccc1Cl 75cd31ee8176c702db21cf078bf8a85d [0,0,0,1,0,0|3,0,0]=4 539 B12R1.372 CCCCNCc1sccc1F 455e9279fe558e7d74d19a58a7a97f02 [0,0,0,1,0,0|3,0,0]=4 540 B12R1.372 CCCCOCC1=CCCC1=O 021c1b15205db97e8b40d819f0fded41 [0,0,0,1,0,0|1,0,2]=4 541 B12R1.372 CCCCOCc1cccn1C 94650476b22561e4a7e6212ffa8a2bc0 [0,0,0,1,0,0|3,0,0]=4 542 B12R1.372 CCCCOCc1ccoc1C f10d80c1044dcc88e0cde7e9a16d8dad [0,0,0,1,0,0|3,0,0]=4 543 B12R1.372 CCCCOCc1ccsc1Br 745a699141127c052c5b38bc19f7f317 [0,0,0,1,0,0|3,0,0]=4 544 B12R1.372 CCCCOCc1ccsc1Cl 79456f7d6c839634bab1c5bff4471a06 [0,0,0,1,0,0|3,0,0]=4 545 B12R1.372 CCCCOCc1cscc1Br b3812f02ab3e0aaac9c28f0c6ae6a159 [0,0,0,1,0,0|3,0,0]=4 546 B12R1.372 CCCCOCc1cscc1C f35d8351a82f3f09bda365c1f138fd62 [0,0,0,1,0,0|3,0,0]=4 547 B12R1.372 CCCCOCc1occc1Br 240b10a82794549ec37ef0a2b9bef995 [0,0,0,1,0,0|3,0,0]=4 548 B12R1.372 CCCCOCc1occc1C e81295ca52c2bf7ff595d92827ec2cce [0,0,0,1,0,0|3,0,0]=4 549 B12R1.372 CCCCOCc1sccc1C acf1af4e5fd831736774927b34513386 [0,0,0,1,0,0|3,0,0]=4 550 B12R1.372 CCCCOCc1sccc1Cl a641c596320c97fc31b9f829d7e4a7d0 [0,0,0,1,0,0|3,0,0]=4 551 B12R1.372 CCCCOCc1sccc1F f29ea0091530e8d170d2d6df697f0fd4 [0,0,0,1,0,0|3,0,0]=4 552 B12R1.372 CCCNCCc1cccn1C a20b0f41baf2736a90c32f73b6ca7b1b [0,0,0,1,0,0|3,0,0]=4 553 B12R1.372 CCCNCCc1sccc1C 47fa6a911c40a4725c6255a61d494fe5 [0,0,0,1,0,0|3,0,0]=4 554 B12R1.372 CCCNCCn1cc[nH]c1=O ab70ac18a636d49a08f13fcb8e3f7032 [0,0,0,1,0,0|3,0,0]=4 555 B12R1.372 CCCOCCc1cccn1C 0e23dcefc59cfb0494cfa22b79032441 [0,0,0,1,0,0|3,0,0]=4 556 B12R1.372 CCCOCCn1cc[nH]c1=O a86ac5c7b68b27e23f40d01a9de72ffd [0,0,0,1,0,0|3,0,0]=4 557 B12R1.375 C/C=C/C=C/COCCC1CC1 0aa34bdafbca7789139920363176b5b1 [0,0,0,1,0,0|2,0,1]=4 558 B12R1.375 CC=CC=CCOCCC1CC1 b9a0accee6481661c41b2458fcb1efdd [0,0,0,1,0,0|2,0,1]=4 559 B12R1.375 O=C/C=C/COCCOC1CC1 9acf69db9c063101bfc90c9d05dbecfa [0,0,0,1,0,0|2,0,1]=4 560 B9R0.45 C/C=C/C=C/COCCC 8f1e48b4facc41411447438079f84a28 [2,0,0,0,0,0|1,0,1]=4 561 B9R0.45 C=C/C=C/CCNCCC 83f5e14c911827042616181b3195dbb3 [2,0,0,0,0,0|1,0,0]=3 562 B9R0.45 C=C/C=C/CCNCCF fbe34c8ccabf97bea4069b2316ac08a6 [2,0,0,0,0,0|2,0,0]=4 563 B9R0.45 C=C/C=C/CCNCCO 2a247488c4634710e439f3040d5dea89 [2,0,0,0,0,0|2,0,0]=4 564 B9R0.45 C=C/C=C/CCNCCS f42ddce89d9e9eef1949131198eaba79 [2,0,0,0,0,0|2,0,0]=4 565 B9R0.45 C=C/C=C/CCNCOC 4ad5ef978d058dd489935fa5cd5121e5 [2,0,0,0,0,0|2,0,0]=4 566 B9R0.45 C=C/C=C/CCNCSC 939ac09d62c7117531edb70a8ebf50f2 [2,0,0,0,0,0|2,0,0]=4 567 B9R0.45 C=CCNCCCCCC 6384eba9acd253c5ddf82f9491922adb [2,0,0,0,0,0|1,0,1]=4 568 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [2,0,0,0,0,0|1,0,1]=4 569 B9R0.45 CC=CC=CCOCCC 56450f7f936a8924869fea1d2e9622e7 [2,0,0,0,0,0|1,0,1]=4 570 B9R0.45 CCCCCCCNC=O 9b073fb330d599f3dde0b2db41b840f2 [2,0,0,0,0,0|1,0,1]=4 571 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [2,0,0,0,0,0|1,0,1]=4 572 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [2,0,0,0,0,0|1,0,1]=4 573 B9R0.45 CCCCOC/C=C/C=O 2da2f2ec693713191f08b0d2f08d4dd9 [2,0,0,0,0,0|1,0,0]=3 574 B9R0.45 CCOCOC/C=C/C=O 7670264f072827a60bb468ebf074bc0c [2,0,0,0,0,0|2,0,0]=4 575 B9R0.45 COCCOC/C=C/C=O 967f18e0ff39d9ac3e3f1923f75f6062 [2,0,0,0,0,0|2,0,0]=4 576 B9R0.45 CSCCOC/C=C/C=O b4c56aba648070db4d17b4c5e68d691a [2,0,0,0,0,0|2,0,0]=4 577 B9R0.45 O=C/C=C/COCCCF fcd18cdaba64e2c966479a4a46b113b7 [2,0,0,0,0,0|2,0,0]=4 578 B9R0.45 O=C/C=C/COCCCS 4f5fd7cc130b52277441647b966078c4 [2,0,0,0,0,0|2,0,0]=4 579 B11R0.4 C/C=C/C(=O)NCCCCCC 377f28d02111af193298308d162007ca [1,1,0,0,0,0|1,0,1]=4 580 B11R0.4 C/C=C/C=C/COC(C)CCC ab154f092b51630bd9577146a10f8fa6 [1,1,0,0,0,0|1,0,1]=4 581 B11R0.4 C=C/C=C/CCNC(C)CCC 64a1906dfd8eb2df5cda536d67b57a22 [1,1,0,0,0,0|1,0,1]=4 582 B11R0.4 C=CCC(=O)NCCCCCC d46661bf423214425230279ca4e72208 [1,1,0,0,0,0|1,0,1]=4 583 B11R0.4 CC=CC=CCOC(C)CCC ce1f29ff1daeb08dca680e1001b000fe [1,1,0,0,0,0|1,0,1]=4 584 B11R0.4 CCCC(C)COC/C=C/C=O 40b70c80586e0c9128f168d46d645d71 [1,1,0,0,0,0|1,0,1]=4 585 B11R0.4 CCCCCCNC(=O)/C=C/Br b3a483ec9e07d392a823769ab58a8a3f [1,1,0,0,0,0|2,0,0]=4 586 B11R0.4 CCCCCCNC(=O)/C=C/Cl 0edfcd4abbed3c279b5a5db1db683b0f [1,1,0,0,0,0|2,0,0]=4 587 B11R0.4 CCCCCCNC(=O)/C=C/I edd8beb2074c6ebaf2691867fa1dead1 [1,1,0,0,0,0|2,0,0]=4 588 B11R0.4 CCCCCCNC(=O)/C=C\Br d4f5f0432c5532a5be846dba2748e2db [1,1,0,0,0,0|2,0,0]=4 589 B11R0.4 CCCCCCNC(=O)/C=C\Cl 131b728cc8ab5e32a238bba599ec081f [1,1,0,0,0,0|2,0,0]=4 590 B11R0.4 CCCCCCNC(=O)/C=C\I 24147ed224973445dd6e9b3cbfacdebc [1,1,0,0,0,0|2,0,0]=4 591 B11R0.4 CCCCCCNC(=O)C=CBr b76c2faa6995ab790eec9636b8e3d045 [1,1,0,0,0,0|2,0,0]=4 592 B11R0.4 CCCCCCNC(=O)C=CI 8b16a6f00c2b238f2a28d3ec870e0485 [1,1,0,0,0,0|2,0,0]=4 593 B11R0.4 CCCCCCNC(=O)CC=O a7f1da0dd2cd94dffb8186943176c7dc [1,1,0,0,0,0|1,0,1]=4 594 B11R0.40 C/C=C/C=C/COCC(C)CC ed40e483b297ba4346412bc4fda8cbfe [1,1,0,0,0,0|1,0,1]=4 595 B11R0.40 C/C=C/C=C/COC[C@@H](C)CC 0d0e1abfd22c709cc5275014bc8d25b1 [1,1,0,0,0,0|1,0,1]=4 596 B11R0.40 C/C=C/C=C/COC[C@H](C)CC d1059e92d3123a97f669ca891b083d6e [1,1,0,0,0,0|1,0,1]=4 597 B11R0.40 C=C(C=O)OCCCCCCC 5222448d8e72f81bee19037f75e00b4c [1,1,0,0,0,0|1,0,1]=4 598 B11R0.40 C=C/C=C/CCNCC(C)CC 8eccf72c4315869d3c78a87bc9234395 [1,1,0,0,0,0|1,0,1]=4 599 B11R0.40 C=C/C=C/CCNCC(O)CC 84b2392d52d43963b112a3914ddec2d6 [1,1,0,0,0,0|1,0,1]=4 600 B11R0.40 C=C/C=C/CCNC[C@@H](C)CC cc3bdd9e9dff3e7a5563648f3f6cb6ff [1,1,0,0,0,0|1,0,1]=4 601 B11R0.40 C=C/C=C/CCNC[C@H](C)CC cf565ac02fe3bb4f51797b8b7d884c17 [1,1,0,0,0,0|1,0,1]=4 602 B11R0.40 C=CC(=O)NCCCCCCC f1adb5880043356bf107a0e1433c2cec [1,1,0,0,0,0|1,0,1]=4 603 B11R0.40 CC=CC=CCOCC(C)CC dd0080ac695601813862cf5ff8d593e4 [1,1,0,0,0,0|1,0,1]=4 604 B11R0.40 CC=CC=CCOC[C@@H](C)CC 757d222ec576e980fcb59e222fbcfea7 [1,1,0,0,0,0|1,0,1]=4 605 B11R0.40 CC=CC=CCOC[C@H](C)CC adaf7e31673acf313f8150e54666a5f3 [1,1,0,0,0,0|1,0,1]=4 606 B11R0.40 CCC(C)CCOC/C=C/C=O d1d4396ea334464d1ac9ff218cbbb506 [1,1,0,0,0,0|1,0,1]=4 607 B11R0.40 CCCCCCCNC(=O)C=O abee9ded1e7a7a6b29f3f186b2d24366 [1,1,0,0,0,0|1,0,1]=4 608 B11R0.81 C=C/C=C/C(=O)NCCCCC 6e00bb4eccd15303cdadb3826fe27155 [1,1,0,0,0,0|1,0,0]=3 609 B11R0.81 C=C/C=C/C(=O)NCCCCCl 01cd5a95109d24ba2ed5a7949c3e6c78 [1,1,0,0,0,0|2,0,0]=4 610 B11R0.81 C=C/C=C/C(=O)NCCCCO 89631b61520a365e48ec8888b02d352e [1,1,0,0,0,0|2,0,0]=4 611 B11R0.81 C=C/C=C/C(=O)NCCCCS c23f15b7e08d45374295d9aef5a17654 [1,1,0,0,0,0|2,0,0]=4 612 B11R0.81 C=C/C=C/C(=O)NCCCOC 548a6c55deb41fadfc7fd1e4c9948ec2 [1,1,0,0,0,0|2,0,0]=4 613 B11R0.81 C=C/C=C/C(=O)NCCCSC 97aa0c09e2b0e06519221ad450d2164c [1,1,0,0,0,0|2,0,0]=4 614 B11R0.81 C=C/C=C/C(=O)NCCOCC 2dc797caa94f5dcc90c66770508f3956 [1,1,0,0,0,0|2,0,0]=4 615 B11R0.81 C=C/C=C/C(=O)NCCSCC 14b6923e23ec1e73b45fa0d80ab36b81 [1,1,0,0,0,0|2,0,0]=4 616 B11R0.81 C=C/C=C\C(=O)NCCCCC ff69046eef2fc88efd8ad9cedefb5182 [1,1,0,0,0,0|1,0,0]=3 617 B11R0.81 C=C/C=C\C(=O)NCCCCCl e3d1fddfb14695fade9beb32a26386ac [1,1,0,0,0,0|2,0,0]=4 618 B11R0.81 C=C/C=C\C(=O)NCCCCO 9c67a0c58cde1e82c54b231eea91ca4e [1,1,0,0,0,0|2,0,0]=4 619 B11R0.81 C=C/C=C\C(=O)NCCCCS 1c3eaa9f02e901ae8a98b94417d54015 [1,1,0,0,0,0|2,0,0]=4 620 B11R0.81 C=C/C=C\C(=O)NCCCOC f6991e38f13c9957e2f5ad2df634500a [1,1,0,0,0,0|2,0,0]=4 621 B11R0.81 C=C/C=C\C(=O)NCCCSC 239ce3da4ad6ff1556608c869de7c591 [1,1,0,0,0,0|2,0,0]=4 622 B11R0.81 C=C/C=C\C(=O)NCCOCC 6edf35d833a01cede4615d09c9c66421 [1,1,0,0,0,0|2,0,0]=4 623 B11R0.81 C=C/C=C\C(=O)NCCSCC f5f5778ad04102d13626aa78dc071e89 [1,1,0,0,0,0|2,0,0]=4 624 B11R0.81 C=CC=CC(=O)NCCCCC f3829a56cfc09f603668e5f9db569660 [1,1,0,0,0,0|1,0,0]=3 625 B11R0.81 C=CC=CC(=O)NCCCCCl 5c6216ca30a782f195f0286d44b61181 [1,1,0,0,0,0|2,0,0]=4 626 B11R0.81 C=CC=CC(=O)NCCCCO ea2abf2c0cbb9dfc03685f8e44e97484 [1,1,0,0,0,0|2,0,0]=4 627 B11R0.81 C=CC=CC(=O)NCCCCS bb903c632d4974845f0a6f69ab3375f6 [1,1,0,0,0,0|2,0,0]=4 628 B11R0.81 C=CC=CC(=O)NCCCOC 05c43e43f5b1ea21efe180eeb3d21ed3 [1,1,0,0,0,0|2,0,0]=4 629 B11R0.81 C=CC=CC(=O)NCCCSC 5381f490f2ab7fb2222907b6bc457fc3 [1,1,0,0,0,0|2,0,0]=4 630 B11R0.81 C=CC=CC(=O)NCCOCC a2cd456c75a8642b7dbb1803fa82b98a [1,1,0,0,0,0|2,0,0]=4 631 B11R0.81 C=CC=CC(=O)NCCSCC 947405a63740d201f5fc802e43bc48ba [1,1,0,0,0,0|2,0,0]=4 632 B11R0.81 CCCCC(C)OC/C=C/C=O 726053bac0be74c113bf15875b6cc3db [1,1,0,0,0,0|1,0,1]=4 633 B11R0.140 C/C=C/C=C/C(=O)NCCCC 7a886652e33d103605624db7191b1c42 [1,1,0,0,0,0|2,0,0]=4 634 B11R0.140 CC=CC=CC(=O)NCCCC 00ad07ea2e0420f3ecd32dc6ed13e273 [1,1,0,0,0,0|2,0,0]=4 635 B11R0.148 C/C=C/C=C/COCCC(C)C e7031d1c28f63cb8e677a83df9caedd7 [1,1,0,0,0,0|1,0,1]=4 636 B11R0.148 C=C/C=C/CCNCCC(C)C b7d24f6ee26688a62f9c6b6caa842b59 [1,1,0,0,0,0|1,0,1]=4 637 B11R0.148 C=C/C=C/CCNCCC(C)O 1280c558b8c1ada0f277e0e8453ce1e7 [1,1,0,0,0,0|1,0,1]=4 638 B11R0.148 CC(C)CCCOC/C=C/C=O 19bee02ff7a993452208f0856258f45b [1,1,0,0,0,0|1,0,1]=4 639 B11R0.148 CC=CC=CCOCCC(C)C 168b5379cfc97a7f4ff5890428e1ffd5 [1,1,0,0,0,0|1,0,1]=4 640 B11R0.148 CCCCCNC/C=C/C(=O)O b8046f0d80c9ff3885cdfa6c42d71162 [1,1,0,0,0,0|1,0,1]=4 641 B11R0.148 CCCCCNCC=CC(=O)O 58813a84cba492cefaaec0f7c2af3ed6 [1,1,0,0,0,0|1,0,1]=4 642 B11R0.148 CCCCCOC/C=C/C(=O)O 3d3460a3a6eee12116378f2de4d92d1f [1,1,0,0,0,0|1,0,1]=4 643 B11R0.148 CCCCCOCC=CC(=O)O ac6921bf081433b1f8d6059fbeb527c4 [1,1,0,0,0,0|1,0,1]=4 644 B13R0.66 C=C/C=C/C(=O)NCCCCCCC 658faae13af8817da80746c74b0423b2 [0,2,0,0,0,0|1,0,1]=4 645 B13R0.66 C=C/C=C/C(=O)NCCCCCCCl 3b6d0119996bd3ab867fe2d6fc26d12f [0,2,0,0,0,0|2,0,0]=4 646 B13R0.66 C=C/C=C/C(=O)NCCCCCCO 3b87e8d5ef91dafbf5c78ed78d707128 [0,2,0,0,0,0|2,0,0]=4 647 B13R0.66 C=C/C=C/C(=O)NCCCCCOC c1f8fb9f88485a3519759288fc583f7c [0,2,0,0,0,0|2,0,0]=4 648 B13R0.66 C=C/C=C/C(=O)NCCCCSCC 1cc23536052a3e934e418969126524e8 [0,2,0,0,0,0|2,0,0]=4 649 B13R0.66 C=C/C=C/C(=O)NCCCOCCC f41304f03eecedfc417eb5c340db5e44 [0,2,0,0,0,0|2,0,0]=4 650 B13R0.66 C=C/C=C/C(=O)NCCOCCCC a3cae35cf91a465b5b522d62d428541f [0,2,0,0,0,0|2,0,0]=4 651 B13R0.66 C=C/C=C\C(=O)NCCCCCCC 366e9b966c9ce570917adeb7ab3d35a7 [0,2,0,0,0,0|1,0,1]=4 652 B13R0.66 C=C/C=C\C(=O)NCCCCCCCl f3e34c64e8266185add346674d4ea0e6 [0,2,0,0,0,0|2,0,0]=4 653 B13R0.66 C=C/C=C\C(=O)NCCCCCCO a82477919eac3e6abe7ff470b12fc04b [0,2,0,0,0,0|2,0,0]=4 654 B13R0.66 C=C/C=C\C(=O)NCCCCCOC 055fe40ec4479ffff1ba00a0e32092e0 [0,2,0,0,0,0|2,0,0]=4 655 B13R0.66 C=C/C=C\C(=O)NCCCCSCC 48455d9248293c256295083cfa1ce26c [0,2,0,0,0,0|2,0,0]=4 656 B13R0.66 C=C/C=C\C(=O)NCCCOCCC 08a414da5bce53d589e0cc6e3b77c18f [0,2,0,0,0,0|2,0,0]=4 657 B13R0.66 C=C/C=C\C(=O)NCCOCCCC 2bab2b119f6d1eb3cffcfb655d437759 [0,2,0,0,0,0|2,0,0]=4 658 B13R0.66 C=CC=CC(=O)NCCCCCCC 81c3be3485445a98d8c46a45d0ac8248 [0,2,0,0,0,0|1,0,1]=4 659 B13R0.66 C=CC=CC(=O)NCCCCCCCl 7a6290e6b721a670f2fef4001b46afaa [0,2,0,0,0,0|2,0,0]=4 660 B13R0.66 C=CC=CC(=O)NCCCCCCO a7a87f1b9a241ee0a27fc552a199966e [0,2,0,0,0,0|2,0,0]=4 661 B13R0.66 C=CC=CC(=O)NCCCCCOC e009c9e76d5f504a6e75e27eeed261e1 [0,2,0,0,0,0|2,0,0]=4 662 B13R0.66 C=CC=CC(=O)NCCCCSCC 0bd932cdab97744d13a702ebbe0ed7c0 [0,2,0,0,0,0|2,0,0]=4 663 B13R0.66 C=CC=CC(=O)NCCCOCCC 84775d413c4a1e71eed04c86eadf740f [0,2,0,0,0,0|2,0,0]=4 664 B13R0.66 C=CC=CC(=O)NCCOCCCC a8e1ccb5ebb5a7602cf60a8a29c5ce76 [0,2,0,0,0,0|2,0,0]=4 665 B13R0.88 CCCC(C)CCOC/C=C/C(=O)O cacac63bc9a8326f5529ff990f350332 [0,2,0,0,0,0|1,0,1]=4 666 B13R0.88 CCCC(C)CCOCC=CC(=O)O 5d426278b2eba6d021cea8be3ed56eea [0,2,0,0,0,0|1,0,1]=4 667 B13R0.88 CCCC(S)CCOC/C=C/C(=O)O 622c9c4586a047231a9d911d90977cc7 [0,2,0,0,0,0|1,0,1]=4 668 B13R0.88 CCCC(S)CCOCC=CC(=O)O 91839dd7983f4f6fdf0d209b706d4ac7 [0,2,0,0,0,0|1,0,1]=4 669 B13R0.193 C/C=C/C=C/C(=O)NCC(O)CCC d69ac3e8cd94c2d9cd0172966caaf759 [0,2,0,0,0,0|2,0,0]=4 670 B13R0.193 CC=CC=CC(=O)NCC(O)CCC 80eb059d262cd595406cc5079ee3df73 [0,2,0,0,0,0|2,0,0]=4 671 B13R0.54 C/C=C/C=C/COCCCCC(C)C eadcb76214341feb29f518957c485b42 [0,2,0,0,0,0|1,0,1]=4 672 B13R0.54 CC(=O)CCCCCOC/C=C/C=O f630a825ec36496b4869e99849696b48 [0,2,0,0,0,0|1,0,1]=4 673 B13R0.54 CC(C)CCCCCOC/C=C/C=O 0b9328c1ea045186acc3d40fb80f6186 [0,2,0,0,0,0|0,0,2]=4 674 B13R0.54 CC=CC=CCOCCCCC(C)C 017221ca0939f3fa24b2a529719b9ee6 [0,2,0,0,0,0|1,0,1]=4 675 B13R0.54 CCCCCC/C=C/COCC(=O)N a12cc3cd506822e1b4805ff673528fae [0,2,0,0,0,0|0,0,2]=4 676 B13R0.54 CCCCCC/C=C/COCC(=O)O 8749175e10107f2d0748cca44a19eba7 [0,2,0,0,0,0|0,0,2]=4 677 B13R0.54 CCCCCC/C=C\COCC(=O)N 4e64683a0897a994b127876b26ce40c3 [0,2,0,0,0,0|0,0,2]=4 678 B13R0.54 CCCCCC/C=C\COCC(=O)O b43d81507cf544a6318fcb6637edf341 [0,2,0,0,0,0|0,0,2]=4 679 B13R0.54 CCCCCCCNC/C=C/C(=O)O 29509cdb7b3fc998e458f82b95659b1a [0,2,0,0,0,0|0,0,2]=4 680 B13R0.54 CCCCCCCNCC=CC(=O)O 126a853a91bee149c65b545de2cfba1d [0,2,0,0,0,0|0,0,2]=4 681 B13R0.54 CCCCCCCOC/C=C/C(=O)O 7e59a4246093eb5291d19990e7730f52 [0,2,0,0,0,0|0,0,2]=4 682 B13R0.54 CCCCCCCOCC=CC(=O)O 956ce20d3bcd87d892383257e880bf5c [0,2,0,0,0,0|0,0,2]=4 683 B13R0.54 CCCCOCCNC/C=C/C(=O)O 25dca06ac521dbe4bd2cc3937d8aacb5 [0,2,0,0,0,0|1,0,1]=4 684 B13R0.54 CCCCOCCNCC=CC(=O)O 3fe10dbbd6b95e092aa1aea261892271 [0,2,0,0,0,0|1,0,1]=4 685 B13R0.54 CCCCOCCOC/C=C/C(=O)O b5304d820ec33ef37b1d8a855611ce01 [0,2,0,0,0,0|1,0,1]=4 686 B13R0.54 CCCCOCCOCC=CC(=O)O f65bda90bb53751b1d6018b74bb4e757 [0,2,0,0,0,0|1,0,1]=4 687 B13R0.54 CCCCSCCOC/C=C/C(=O)O 169a026a97866e044930d7b05d223d9d [0,2,0,0,0,0|1,0,1]=4 688 B13R0.54 CCCCSCCOCC=CC(=O)O 0db4ea024f9b62f7da7b8eabe1965e79 [0,2,0,0,0,0|1,0,1]=4 689 B13R0.54 CCCOCCCNC/C=C/C(=O)O a6796c9d13705a8c49ca5e52aa2051d1 [0,2,0,0,0,0|1,0,1]=4 690 B13R0.54 CCCOCCCNCC=CC(=O)O 14ad29441c0365d1c0822892bd13bd54 [0,2,0,0,0,0|1,0,1]=4 691 B13R0.54 CCCOCCCOC/C=C/C(=O)O 0c7c986a268ce86cf378a04da2727dd0 [0,2,0,0,0,0|1,0,1]=4 692 B13R0.54 CCCOCCCOCC=CC(=O)O 419ab74ecba1afa27d3eaf359fa157f3 [0,2,0,0,0,0|1,0,1]=4 693 B13R0.54 CCSCCCCNC/C=C/C(=O)O e2d45ab89840d734d90dfd757bd91d6c [0,2,0,0,0,0|1,0,1]=4 694 B13R0.54 CCSCCCCNCC=CC(=O)O fd002b0ee3094205e7651ae55b3ab89f [0,2,0,0,0,0|1,0,1]=4 695 B13R0.54 COCCCCCNC/C=C/C(=O)O 133c5d2ef0523e48ab89677694dde022 [0,2,0,0,0,0|1,0,1]=4 696 B13R0.54 COCCCCCNCC=CC(=O)O cc06fdeda93bd42ba0524faad4c32c58 [0,2,0,0,0,0|1,0,1]=4 697 B13R0.54 COCCCCCOC/C=C/C(=O)O d2e046b46ffe91302e1018539a582848 [0,2,0,0,0,0|1,0,1]=4 698 B13R0.54 COCCCCCOCC=CC(=O)O 0b77671813ef8ea55adc2f2072d8c7e3 [0,2,0,0,0,0|1,0,1]=4 699 B13R0.54 O=C(O)/C=C/CNCCCCCCCl 25f5c69966991824f5ee9650e89d0e70 [0,2,0,0,0,0|1,0,1]=4 700 B13R0.54 O=C(O)/C=C/CNCCCCCCF 7a3a658ff2c0fbef2fe6d97768cef04c [0,2,0,0,0,0|1,0,1]=4 701 B13R0.54 O=C(O)/C=C/CNCCCCCCO 71e009ad724b604c86480ef770b27df8 [0,2,0,0,0,0|1,0,1]=4 702 B13R0.54 O=C(O)/C=C/COCCCCCCF af1db5c8d41fd711e9bb2c64efbf6cae [0,2,0,0,0,0|1,0,1]=4 703 B13R0.54 O=C(O)/C=C/COCCCCCCS b065c419220e3bfc2fec47769a44cba0 [0,2,0,0,0,0|1,0,1]=4 704 B13R0.54 O=C(O)C=CCNCCCCCCCl 3dac4fdf256c3ce4fb0bda4414832fff [0,2,0,0,0,0|1,0,1]=4 705 B13R0.54 O=C(O)C=CCNCCCCCCF f4e8c9dd29f2013e387780cd939302f3 [0,2,0,0,0,0|1,0,1]=4 706 B13R0.54 O=C(O)C=CCNCCCCCCO 0c5d07f3a82d7a60d6d690515adcb525 [0,2,0,0,0,0|1,0,1]=4 707 B13R0.54 O=C(O)C=CCOCCCCCCF 218877355faa0225de9441c4a9a9c711 [0,2,0,0,0,0|1,0,1]=4 708 B13R0.54 O=C(O)C=CCOCCCCCCS d3d19f977b2fac6810b1ef3f2caa9c8b [0,2,0,0,0,0|1,0,1]=4 709 B13R0.54 O=C/C=C/COCCCCCC(F)F 1bd8ce7db7f77d754c18d0ab36d350ae [0,2,0,0,0,0|1,0,1]=4 710 B13R0.147 CCC(=O)CCCCOC/C=C/C=O 43db1c8de26ec0ac7cc4f044b2c5f03c [0,2,0,0,0,0|1,0,1]=4 711 B13R0.147 CCCCCC/C=C/COC(C)C=O 952979d7fa4843898ff8c08e19ff0751 [0,2,0,0,0,0|0,0,2]=4 712 B13R0.147 CCCCCC/C=C/CO[C@H](C)C=O d7a005d3f132301ff88da462703b3652 [0,2,0,0,0,0|0,0,2]=4 713 B13R0.147 CCCCCC/C=C\COC(C)C=O ffd84b255f9139df37140cd2d8b4826a [0,2,0,0,0,0|0,0,2]=4 714 B13R0.147 CCCCCC/C=C\CO[C@H](C)C=O 4cd39b3849b1a6e17740c1c8665c8344 [0,2,0,0,0,0|0,0,2]=4 715 B13R0.147 CCCCCCNC/C=C/C(=O)OC da65ca5fca4de657aadbe3d855541080 [0,2,0,0,0,0|1,0,1]=4 716 B13R0.147 CCCCCCNC/C=C\C(=O)OC 417afe7fbdae5499ca563b2962e78af7 [0,2,0,0,0,0|1,0,1]=4 717 B13R0.147 CCCCCCNCC=CC(=O)OC 86a086a24c5c088422f5a0ecb3e0f6c7 [0,2,0,0,0,0|1,0,1]=4 718 B13R0.147 CCCCCCOC/C=C/C(=O)OC 0b65a61de6b5df8ca86801402fff08df [0,2,0,0,0,0|1,0,1]=4 719 B13R0.147 CCCCCCOC/C=C\C(=O)OC ff086bc80eb704cc5bf67d9b169606cc [0,2,0,0,0,0|1,0,1]=4 720 B13R0.147 CCCCCCOCC=CC(=O)OC 187d143181422d47aa30aa1184b9a897 [0,2,0,0,0,0|1,0,1]=4 721 B13R0.147 CCCCNC/C=C/C=C/C(=O)OC be3210a4408168cbafcb5f1e0d92a791 [0,2,0,0,0,0|1,0,0]=3 722 B13R0.147 CCCCNCC=CC=CC(=O)OC 19f126566b4c4002914eb3ce3ebfd2a6 [0,2,0,0,0,0|1,0,0]=3 723 B13R0.147 CCCCOC/C=C/C=C/C(=O)OC 2b21f11bf5e7495998f7fd63f03a3aa8 [0,2,0,0,0,0|1,0,0]=3 724 B13R0.147 CCCCOCC=CC=CC(=O)OC ad3a2710956ab5578d1723f1c43d8f9e [0,2,0,0,0,0|1,0,0]=3 725 B13R0.147 COC(=O)/C=C/C=C/CNCCCCl 5b5071e61575052a296fdd945768b691 [0,2,0,0,0,0|2,0,0]=4 726 B13R0.147 COC(=O)/C=C/C=C/CNCCCO d194ec792f7449f7f27d6358d63d4025 [0,2,0,0,0,0|2,0,0]=4 727 B13R0.147 COC(=O)/C=C/C=C/CNCCSC d7cfc6250622e331c1bc22a52ce2e3fa [0,2,0,0,0,0|2,0,0]=4 728 B13R0.147 COC(=O)/C=C/C=C/COCCCF 1a826b0655572769d10668ace0bbae59 [0,2,0,0,0,0|2,0,0]=4 729 B13R0.147 COC(=O)/C=C/C=C/COCCCS 5ba532482254cd143b2007484190f943 [0,2,0,0,0,0|2,0,0]=4 730 B13R0.147 COC(=O)/C=C/C=C/COCCSC 6f2cd58c026b8a225c6e300b62f94c13 [0,2,0,0,0,0|2,0,0]=4 731 B13R0.147 COC(=O)C=CC=CCNCCCCl 33eb3120f8181c231ea8062ba3f40a84 [0,2,0,0,0,0|2,0,0]=4 732 B13R0.147 COC(=O)C=CC=CCNCCCO 5fff29eccbc9ad17b73c7dd09a4b78c9 [0,2,0,0,0,0|2,0,0]=4 733 B13R0.147 COC(=O)C=CC=CCNCCSC f54b9559d3eca69abcb05bedc5f0434b [0,2,0,0,0,0|2,0,0]=4 734 B13R0.147 COC(=O)C=CC=CCOCCCF 45964f23a4ac5ece41964d278faca43f [0,2,0,0,0,0|2,0,0]=4 735 B13R0.147 COC(=O)C=CC=CCOCCCS a3330c4ed38d23deb7d86768d7de012f [0,2,0,0,0,0|2,0,0]=4 736 B13R0.147 COC(=O)C=CC=CCOCCSC 779fb1b44fbde0f231a4fbd06757d26e [0,2,0,0,0,0|2,0,0]=4 737 B13R0.147 COCCNC/C=C/C=C/C(=O)OC ff6339108fddac0e62827c4865b3cc6c [0,2,0,0,0,0|2,0,0]=4 738 B13R0.147 COCCNCC=CC=CC(=O)OC 2d38761f8f2215e2959d8de7dfafa8ea [0,2,0,0,0,0|2,0,0]=4 739 B13R0.147 COCCOC/C=C/C=C/C(=O)OC ce284f02730f69400f0bc12f9ac34194 [0,2,0,0,0,0|2,0,0]=4 740 B13R0.147 COCCOCC=CC=CC(=O)OC d7a169f2297d94d47b0ae6d2f1dc90c8 [0,2,0,0,0,0|2,0,0]=4 741 B13R0.165 CCCCCCC(C)OC/C=C/C=O 8202ef89ed8967f10742d6b4fd4764df [0,2,0,0,0,0|0,0,2]=4 742 B13R0.336 C#CCCCCCCOC/C=C/C=O f9c2e632fa34ac1fa5e74ad6cbf6773f [0,2,0,0,0,0|1,0,1]=4 743 B13R0.336 C/C=C/C=C/COCCCCCCC 92ae2f66f7520412d54592648a069504 [0,2,0,0,0,0|1,0,1]=4 744 B13R0.336 C/C=C/C=C/COCCCCCCF 6135e3478177b4fd47a216c12f15c9d3 [0,2,0,0,0,0|1,0,1]=4 745 B13R0.336 C/C=C/C=C/COCCCCCOC e91d7c736dc70081c5cc74b6e937c3d7 [0,2,0,0,0,0|1,0,1]=4 746 B13R0.336 C/C=C/C=C/COCCCOCCC e466e91665458bb1e93722ab6a621ae3 [0,2,0,0,0,0|1,0,1]=4 747 B13R0.336 C/C=C/C=C/COCCOCCCC ab14e88c58f1893d8ca21a1bed4722e3 [0,2,0,0,0,0|1,0,1]=4 748 B13R0.336 C/C=C/COC/C=C/CCCCCC 2ff4ccf1b90b3a92f22cdc7d8d6b5fdd [0,2,0,0,0,0|1,0,1]=4 749 B13R0.336 C/C=C/COC/C=C\CCCCCC 1d65161efedd7fd8cd58ce5708c7b704 [0,2,0,0,0,0|1,0,1]=4 750 B13R0.336 C/C=C\COC/C=C/CCCCCC 7360c59abff843daf947f00a03126277 [0,2,0,0,0,0|1,0,1]=4 751 B13R0.336 C/C=C\COC/C=C\CCCCCC b9622e370ae087859861bad8b854712a [0,2,0,0,0,0|1,0,1]=4 752 B13R0.336 C=CCCCCCCOC/C=C/C=O 3aa6c40c89d10f6d9967249fb5bfc125 [0,2,0,0,0,0|1,0,1]=4 753 B13R0.336 CC/C=C\C/C=C\CCCOCCC 929c6de8efb8c665e7b40e11bdfb6be6 [0,2,0,0,0,0|1,0,1]=4 754 B13R0.336 CC=CC=CCOCCCCCCC fdbba6c90912ca612f12b54c51d7a817 [0,2,0,0,0,0|1,0,1]=4 755 B13R0.336 CC=CC=CCOCCCCCCF 6f3aa047e8e6fa179c53edb2501ac968 [0,2,0,0,0,0|1,0,1]=4 756 B13R0.336 CC=CC=CCOCCCCCOC 8dc6c48d38d4c735eec82a0ffd0ca406 [0,2,0,0,0,0|1,0,1]=4 757 B13R0.336 CC=CC=CCOCCCOCCC 9fae25ce46e5efb1627c71b4d6414d7e [0,2,0,0,0,0|1,0,1]=4 758 B13R0.336 CC=CC=CCOCCOCCCC 4b001002c6e5e6d3c1b60ba4fe959501 [0,2,0,0,0,0|1,0,1]=4 759 B13R0.336 CCC/C=C/C=C/COCCCCC a111e7404a089c2c834ec4db3d876916 [0,2,0,0,0,0|1,0,1]=4 760 B13R0.336 CCC=CCC=CCCOCCCC be8b5f5248e64f31fd34b46fe75278c4 [0,2,0,0,0,0|1,0,1]=4 761 B13R0.336 CCCCCC/C=C/C=C/COCC 33cf5dd0ca21b1f9fdc88af5510ebcaf [0,2,0,0,0,0|0,0,2]=4 762 B13R0.336 CCCCCC/C=C/C=C/COCF 6912209376c7f21f8e0802aacbd66a1d [0,2,0,0,0,0|0,0,2]=4 763 B13R0.336 CCCCCC/C=C/COC/C=C/Cl 07127bc142425ebff11a1c74aa59c02a [0,2,0,0,0,0|1,0,1]=4 764 B13R0.336 CCCCCC/C=C/COC/C=C\Cl 9322892ea8f98014e69833a817d04b39 [0,2,0,0,0,0|1,0,1]=4 765 B13R0.336 CCCCCC/C=C/COCCC=O 1892b59f8b66e2cf43ed7c1d08975a8a [0,2,0,0,0,0|0,0,2]=4 766 B13R0.336 CCCCCC/C=C\COC/C=C/Cl 4529557fdbb99c0fcaa8436529b8a238 [0,2,0,0,0,0|1,0,1]=4 767 B13R0.336 CCCCCC/C=C\COC/C=C\Cl 8400f45133f8537d18cfb84b23525ea3 [0,2,0,0,0,0|1,0,1]=4 768 B13R0.336 CCCCCC/C=C\COCCC=O bc5f3d3c2d379e25a3a0c324cb6da365 [0,2,0,0,0,0|0,0,2]=4 769 B13R0.336 CCCCCCCCOC/C=C/C=O 9d0ee20ccf7b60f33df80d3dfc839dbe [0,2,0,0,0,0|0,0,2]=4 770 B13R0.336 CCOCCOCCOC/C=C/C=O b6b7025a8b93f4bf3a960c2bad334f6f [0,2,0,0,0,0|1,0,1]=4 771 B13R0.336 COCCCCCCOC/C=C/C=O b7841a47fe00b9ffe284019e119e3706 [0,2,0,0,0,0|0,0,2]=4 772 B13R0.336 COCCOCCCOC/C=C/C=O 3d438a46615446940b4d770aeb21c88c [0,2,0,0,0,0|1,0,1]=4 773 B13R0.336 N#CCCCCCCOC/C=C/C=O 2db0d1015a6d3ae74e748f7a6d827012 [0,2,0,0,0,0|1,0,1]=4 774 B13R0.336 O=C/C=C/COCCCCCCC=O f5c111c630c325469a82099d7206664a [0,2,0,0,0,0|1,0,1]=4 775 B13R0.338 C/C=C/C=C/C(=O)NCCCCCC 964860fb971fb1cde6acf6a17224cb2a [0,2,0,0,0,0|1,0,0]=3 776 B13R0.338 C/C=C/C=C/C(=O)NCCCCCCl 69081e9c8faedc04207fcddc191f6134 [0,2,0,0,0,0|2,0,0]=4 777 B13R0.338 C/C=C/C=C/C(=O)NCCCCCO 04a7c336a53930afd8b79c7447a48570 [0,2,0,0,0,0|2,0,0]=4 778 B13R0.338 C/C=C/C=C/C(=O)NCCCCOC a371d324cd7eefb3eb68e166e0b7005f [0,2,0,0,0,0|2,0,0]=4 779 B13R0.338 C/C=C/C=C/C(=O)NCCCCSC 19136e13d8b97c8fc66155b99ec67932 [0,2,0,0,0,0|2,0,0]=4 780 B13R0.338 C/C=C/C=C/C(=O)NCCCOCC cc962dc9649ceca91ea5d8070613fefd [0,2,0,0,0,0|2,0,0]=4 781 B13R0.338 C/C=C/C=C/C(=O)NCCOCCC eba8b880df457a1ae435f1a5ef1ccd8d [0,2,0,0,0,0|2,0,0]=4 782 B13R0.338 C/C=C/C=C/COC(C)CCCCC faf30f32d960ab06d0408bbe2b068d03 [0,2,0,0,0,0|1,0,1]=4 783 B13R0.338 C/C=C/C=C/CO[C@@H](C)CCCCC 956d60f609a93bee130bab092c45e171 [0,2,0,0,0,0|1,0,1]=4 784 B13R0.338 CC=CC=CC(=O)NCCCCCC 339ff6404ad39c5fd17cc0bc953539b9 [0,2,0,0,0,0|1,0,0]=3 785 B13R0.338 CC=CC=CC(=O)NCCCCCCl 927bf2275916e9c6247b127b50a9722c [0,2,0,0,0,0|2,0,0]=4 786 B13R0.338 CC=CC=CC(=O)NCCCCCO c23dcffb2fd28f3deb10ae0686f741a9 [0,2,0,0,0,0|2,0,0]=4 787 B13R0.338 CC=CC=CC(=O)NCCCCOC 4dea265a8239d440c2a6e04b06239858 [0,2,0,0,0,0|2,0,0]=4 788 B13R0.338 CC=CC=CC(=O)NCCCCSC 969c726492b6a3fdd001f6a546b45354 [0,2,0,0,0,0|2,0,0]=4 789 B13R0.338 CC=CC=CC(=O)NCCCOCC 1f22f449f41938cfadb9a031fc893bac [0,2,0,0,0,0|2,0,0]=4 790 B13R0.338 CC=CC=CC(=O)NCCOCCC 94477c2e94e415165bb4f4a2d6be09b1 [0,2,0,0,0,0|2,0,0]=4 791 B13R0.338 CC=CC=CCOC(C)CCCCC 2596bf7413717224798616595d5b58f1 [0,2,0,0,0,0|1,0,1]=4 792 B13R0.338 CC=CC=CCO[C@@H](C)CCCCC 598dcabb86acac52b2c2fe34c420fc5a [0,2,0,0,0,0|1,0,1]=4 793 B13R0.338 CCCCCC(=O)COC/C=C/C=O 9122f217cf6ea65d23a6dcefc4083980 [0,2,0,0,0,0|1,0,1]=4 794 B13R0.1 CCCCCCN(C)C/C=C/C(=O)O e7e6d25f7217e85cbbf06731fc25b063 [0,2,0,0,0,0|1,0,1]=4 795 B13R0.1 CCCCCCN(C)CC=CC(=O)O 70853bcdd2e6854c89f78fb428eae782 [0,2,0,0,0,0|1,0,1]=4 796 B13R0.188 C/C=C/C=C/C(=O)NCCCC(C)C 3920e7319a6b73064f086afa1d5f2c11 [0,2,0,0,0,0|2,0,0]=4 797 B13R0.188 CC=CC=CC(=O)NCCCC(C)C a36fb860e02c1a6ed056e561e0be24cb [0,2,0,0,0,0|2,0,0]=4 798 B13R0.188 CCCCCC(C)NC/C=C/C(=O)O 27a5799a7c5182c6cb1f71d3c8bc3de1 [0,2,0,0,0,0|1,0,1]=4 799 B13R0.188 CCCCCC(C)NCC=CC(=O)O c7d7c1e1ad774a6ff8b25847fc4179b1 [0,2,0,0,0,0|1,0,1]=4 800 B13R0.188 CCCCCC(C)OC/C=C/C(=O)O 1862d0c97c240c7c9c8e67211c616070 [0,2,0,0,0,0|1,0,1]=4 801 B13R0.188 CCCCCC(C)OCC=CC(=O)O 222eae13a3419ed70ef6fffd4509206f [0,2,0,0,0,0|1,0,1]=4 802 B13R0.188 CCCCC[C@@H](C)OC/C=C/C(=O)O 25a8d9a7f120052c048505ad8692af2a [0,2,0,0,0,0|1,0,1]=4 803 B13R0.188 CCCCC[C@@H](C)OCC=CC(=O)O 498a3269b1e37a71f83465df815c153e [0,2,0,0,0,0|1,0,1]=4 804 B13R0.188 CCCCC[C@H](C)NC/C=C/C(=O)O 8f02ae160b21720bbb7aa40c4d6ffe6e [0,2,0,0,0,0|1,0,1]=4 805 B13R0.188 CCCCC[C@H](C)NCC=CC(=O)O dc06244db35aec73c6a007a08e99e761 [0,2,0,0,0,0|1,0,1]=4 806 B13R0.188 CCCCC[C@H](C)OC/C=C/C(=O)O 16b90939ad1f288e3dcd2274f9fb97bf [0,2,0,0,0,0|1,0,1]=4 807 B13R0.188 CCCCC[C@H](C)OCC=CC(=O)O 4e9d760eea3bb71671930852e1e382a9 [0,2,0,0,0,0|1,0,1]=4 808 B13R0.194 C/C=C/C=C/C(=O)NCCC(C)CC 18f1cca0e69a11e14880378a5eaf3524 [0,2,0,0,0,0|2,0,0]=4 809 B13R0.194 CC=CC=CC(=O)NCCC(C)CC ffa07eb42e4b6e225f86ad6989b68b26 [0,2,0,0,0,0|2,0,0]=4 810 B13R0.195 C/C=C/C=C/C(=O)NC(C)CCCC 98ada55322d942ca08d1437db77b21f8 [0,2,0,0,0,0|2,0,0]=4 811 B13R0.195 C/C=C/C=C/C(=O)N[C@H](C)CCCC a4288124a0abbda8fcf1b7e04d06d231 [0,2,0,0,0,0|2,0,0]=4 812 B13R0.195 C=C/C=C/C(=O)NC(C)CCCCC 716bead0b08afff6ba420179ac0495e0 [0,2,0,0,0,0|2,0,0]=4 813 B13R0.195 C=C/C=C/C(=O)N[C@@H](C)CCCCC 4028af72bfe093ec635947d380e290b4 [0,2,0,0,0,0|2,0,0]=4 814 B13R0.195 C=C/C=C\C(=O)NC(C)CCCCC 623769b01dc2040c1861b125b890f90d [0,2,0,0,0,0|2,0,0]=4 815 B13R0.195 C=C/C=C\C(=O)N[C@@H](C)CCCCC 25ee59ec88d4799377993297159656f7 [0,2,0,0,0,0|2,0,0]=4 816 B13R0.195 C=CC=CC(=O)NC(C)CCCCC 06dc77e8b59d2a6552eaa2b3d762d23b [0,2,0,0,0,0|2,0,0]=4 817 B13R0.195 C=CC=CC(=O)N[C@@H](C)CCCCC 62b3dbe4797c6a0cd47f6f10dcb2bd06 [0,2,0,0,0,0|2,0,0]=4 818 B13R0.195 CC=CC=CC(=O)NC(C)CCCC ff97921db2394ee86775c1305b42b175 [0,2,0,0,0,0|2,0,0]=4 819 B13R0.195 CC=CC=CC(=O)N[C@H](C)CCCC bd38445597f1efc45d154b9ef5e9bc61 [0,2,0,0,0,0|2,0,0]=4 820 B13R0.398 C/C=C/C=C/C(=O)N(C)CCCCC d7b48d261628b5fa945f30df9c565707 [0,2,0,0,0,0|2,0,0]=4 821 B13R0.398 CC=CC=CC(=O)N(C)CCCCC a3827abc5020e83f2e54ac5cb82293ec [0,2,0,0,0,0|2,0,0]=4 822 B13R0.1170 C/C=C(\C)/C=C/C(=O)NCCCCC 257a6eeea1e35108e268184c3d54c276 [0,2,0,0,0,0|2,0,0]=4 823 B13R0.1171 C=C/C=C/C(=O)N(C)CCCCCC 321dc67fd55efebd5af88e8c4f8b5208 [0,2,0,0,0,0|2,0,0]=4 824 B13R0.1171 C=C/C=C\C(=O)N(C)CCCCCC 3ea067b8d19a6cc3a776e9fcda2091cb [0,2,0,0,0,0|2,0,0]=4 825 B13R0.1171 C=CC=CC(=O)N(C)CCCCCC 44e9fe1a244f0a00bc5dd21ddf476938 [0,2,0,0,0,0|2,0,0]=4 826 B13R0.119 CCCCC(C)COC/C=C/C(=O)O a5b7543a1be07c37d40c2aa2fdcf4dd5 [0,2,0,0,0,0|1,0,1]=4 827 B13R0.119 CCCCC(C)COCC=CC(=O)O 731af08c89604226012057b12beef05b [0,2,0,0,0,0|1,0,1]=4 828 B13R0.119 CCCCC(O)CNC/C=C/C(=O)O 55fcc6ca086842d8deaa339107d9cbff [0,2,0,0,0,0|1,0,1]=4 829 B13R0.119 CCCCC(O)CNCC=CC(=O)O 70d50b904447f65c2e5ece89dec5004e [0,2,0,0,0,0|1,0,1]=4 830 B13R0.154 CC(=O)/C=C/C(=O)NCCCCCCl db43f1696e85918836baf820b0a422a7 [0,2,0,0,0,0|2,0,0]=4 831 B13R0.154 CC(=O)/C=C/C(=O)NCCCCCO 59fa78f6bdac257fca542ae9b9679206 [0,2,0,0,0,0|2,0,0]=4 832 B13R0.154 CC(=O)C=CC(=O)NCCCCCCl 3c79755c9a28b34f23a5b7ac8a3b4dc0 [0,2,0,0,0,0|2,0,0]=4 833 B13R0.154 CC(=O)C=CC(=O)NCCCCCO 7ae75e76765a6ca9a0bb095a88ed67af [0,2,0,0,0,0|2,0,0]=4 834 B13R0.154 CC(C)CCC(C)COC/C=C/C=O 8420d0b648d9de19001e0efed0000787 [0,2,0,0,0,0|1,0,1]=4 835 B13R0.154 CCCCCCNC(=O)/C=C/C(=O)C 90eb37a1cf338c4ffb3e1a1f3dfd9b26 [0,2,0,0,0,0|1,0,0]=3 836 B13R0.154 CCCCCCNC(=O)/C=C/C(=O)N a0bbf123bcbf64f7131b5536aff61e39 [0,2,0,0,0,0|1,0,0]=3 837 B13R0.154 CCCCCCNC(=O)/C=C\C(=O)N 6a36457cc592bb71be0560970b48fc8d [0,2,0,0,0,0|1,0,0]=3 838 B13R0.154 CCCCCCNC(=O)C=CC(=O)C 4694adb94ba900ad7fe2bd14110cd817 [0,2,0,0,0,0|1,0,0]=3 839 B13R0.154 CCCCCCNC(=O)C=CC(=O)N 60326359d8aaba5f85e345e8340aafe1 [0,2,0,0,0,0|1,0,0]=3 840 B13R0.154 CCCOCCNC(=O)/C=C/C(=O)C dae0471d72a640da01373cddf1c1ae62 [0,2,0,0,0,0|2,0,0]=4 841 B13R0.154 CCCOCCNC(=O)/C=C/C(=O)N eaa48f7607cce814ab894ef5637e97f4 [0,2,0,0,0,0|2,0,0]=4 842 B13R0.154 CCCOCCNC(=O)/C=C\C(=O)N b99ea3ffd7a353ad1af171874b99a504 [0,2,0,0,0,0|2,0,0]=4 843 B13R0.154 CCCOCCNC(=O)/C=C\C(=O)O aabd82310b1952298edb30178cd12271 [0,2,0,0,0,0|2,0,0]=4 844 B13R0.154 CCCOCCNC(=O)C=CC(=O)C 6bcd36274a7562bc74f68acf6d0a1d7d [0,2,0,0,0,0|2,0,0]=4 845 B13R0.154 CCCOCCNC(=O)C=CC(=O)N 680e5330436142bb80b28a2f8ca22cee [0,2,0,0,0,0|2,0,0]=4 846 B13R0.154 CCOCCCNC(=O)/C=C/C(=O)C 35ee0bc3b7b0e0e7a82434d0d6a9093b [0,2,0,0,0,0|2,0,0]=4 847 B13R0.154 CCOCCCNC(=O)/C=C/C(=O)N 98c5688f9951bcc61d2c9656484e1e32 [0,2,0,0,0,0|2,0,0]=4 848 B13R0.154 CCOCCCNC(=O)/C=C\C(=O)N c53f5bd0ec8e98520f027256d221cb4b [0,2,0,0,0,0|2,0,0]=4 849 B13R0.154 CCOCCCNC(=O)C=CC(=O)C 36e6063e402295a1291ab0f2a1fa7e86 [0,2,0,0,0,0|2,0,0]=4 850 B13R0.154 CCOCCCNC(=O)C=CC(=O)N c82ae66cf167017cddf17aad69883def [0,2,0,0,0,0|2,0,0]=4 851 B13R0.154 COCCCCNC(=O)/C=C/C(=O)C 3b54b234ee24965c730611d6ce6de417 [0,2,0,0,0,0|2,0,0]=4 852 B13R0.154 COCCCCNC(=O)/C=C/C(=O)N ac15db4ea7bd1168d6fe7d1b28765147 [0,2,0,0,0,0|2,0,0]=4 853 B13R0.154 COCCCCNC(=O)/C=C\C(=O)N 130d09c604ac86d11edfb0acce3ffa47 [0,2,0,0,0,0|2,0,0]=4 854 B13R0.154 COCCCCNC(=O)C=CC(=O)C 39360db8c6b4e05d51c1f0af94b27498 [0,2,0,0,0,0|2,0,0]=4 855 B13R0.154 COCCCCNC(=O)C=CC(=O)N 6ea3911c2f67e5a51f42b8a0d4d11bad [0,2,0,0,0,0|2,0,0]=4 856 B13R0.154 CSCCCCNC(=O)/C=C/C(=O)C d0d8abd24c234c9135acdc2f630ca99b [0,2,0,0,0,0|2,0,0]=4 857 B13R0.154 CSCCCCNC(=O)/C=C/C(=O)N b9c7834d385e3695693bcedeedbf6a67 [0,2,0,0,0,0|2,0,0]=4 858 B13R0.154 CSCCCCNC(=O)/C=C\C(=O)N c44556052f22d495d4f6807257d1b9b5 [0,2,0,0,0,0|2,0,0]=4 859 B13R0.154 CSCCCCNC(=O)C=CC(=O)C dc5a4161f964f33ed20ef28622803dc4 [0,2,0,0,0,0|2,0,0]=4 860 B13R0.154 CSCCCCNC(=O)C=CC(=O)N e3157e64f4276c6e1040a0c13563c5e0 [0,2,0,0,0,0|2,0,0]=4 861 B13R0.154 NC(=O)/C=C/C(=O)NCCCCCCl 253e7f87e3759c69ae2577e6dc287827 [0,2,0,0,0,0|2,0,0]=4 862 B13R0.154 NC(=O)/C=C/C(=O)NCCCCCO 1564874e98cfbf98d7bd5bbe49e10062 [0,2,0,0,0,0|2,0,0]=4 863 B13R0.154 NC(=O)/C=C\C(=O)NCCCCCCl 43a462fbdde56424c0cb73be8a3700e4 [0,2,0,0,0,0|2,0,0]=4 864 B13R0.154 NC(=O)/C=C\C(=O)NCCCCCO 88a02a610fa1812928230d9ec9189629 [0,2,0,0,0,0|2,0,0]=4 865 B13R0.154 NC(=O)C=CC(=O)NCCCCCCl 3dda3776dfb9c15d2cf9f6fe8cfe40a6 [0,2,0,0,0,0|2,0,0]=4 866 B13R0.154 NC(=O)C=CC(=O)NCCCCCO 876070f49592de6255157a10cd708435 [0,2,0,0,0,0|2,0,0]=4 867 B13R0.176 C=C/C=C/C(=O)NCC(O)CCCC e94063cf6cb14ff781ca7fcd9bedbdbe [0,2,0,0,0,0|2,0,0]=4 868 B13R0.176 C=C/C=C\C(=O)NCC(O)CCCC 58d8d1f60027a29b4484525531416dde [0,2,0,0,0,0|2,0,0]=4 869 B13R0.176 C=CC=CC(=O)NCC(O)CCCC e80b38002729dca492927f0a21cdce73 [0,2,0,0,0,0|2,0,0]=4 870 B13R0.272 CCCCC(CC)COC/C=C/C=O 8402c1e1348c6c2e9a932da55f24f1d0 [0,2,0,0,0,0|1,0,1]=4 871 B13R0.272 CCCC[C@@H](CC)COC/C=C/C=O 486d3b0652cfb8fe614688c2c3455aa5 [0,2,0,0,0,0|1,0,1]=4 872 B13R0.179 CC(C)CCCCNC/C=C/C(=O)O 7196261228ef4ea394aa1d421f738b7a [0,2,0,0,0,0|1,0,1]=4 873 B13R0.179 CC(C)CCCCNCC=CC(=O)O 9cfcde4a0fd57de15132ce1d80d1c41c [0,2,0,0,0,0|1,0,1]=4 874 B13R0.179 CC(C)CCCCOC/C=C/C(=O)O 098cb3091046c9149ba6bf5ed3ab526a [0,2,0,0,0,0|1,0,1]=4 875 B13R0.179 CC(C)CCCCOCC=CC(=O)O 689a017c25291efdd857d26c9476ad89 [0,2,0,0,0,0|1,0,1]=4 876 B13R0.179 CC(O)CCCCNC/C=C/C(=O)O b4258577c7fa32d3e2f961c6767e18b7 [0,2,0,0,0,0|1,0,1]=4 877 B13R0.179 CC(O)CCCCNCC=CC(=O)O 857f06a172cfc6af2c5ae55a0f81ac55 [0,2,0,0,0,0|1,0,1]=4 878 B13R0.179 C[C@@H](O)CCCCNC/C=C/C(=O)O c453062ef0f6d8847e1fb40c71d09c4c [0,2,0,0,0,0|1,0,1]=4 879 B13R0.179 C[C@@H](O)CCCCNCC=CC(=O)O 2cc671a0eca192c959410ea0af9b4e06 [0,2,0,0,0,0|1,0,1]=4 880 B13R0.202 CCC(C)CCCOC/C=C/C(=O)O 7523b69918ad52db87509abb65ca585e [0,2,0,0,0,0|1,0,1]=4 881 B13R0.202 CCC(C)CCCOCC=CC(=O)O d04a592826ff474a6e164ff1b13cf357 [0,2,0,0,0,0|1,0,1]=4 882 B13R0.202 CC[C@H](C)CCCOC/C=C/C(=O)O 9a12e70dbd5455fb43e979f9d0a82444 [0,2,0,0,0,0|1,0,1]=4 883 B13R0.202 CC[C@H](C)CCCOCC=CC(=O)O 492dade2fbe01089d5009424a1f444a9 [0,2,0,0,0,0|1,0,1]=4 884 B11R1.4 CCCCCNc1ccco1 f970cd05169f1dc22a2fc0868aa59ecb [1,0,0,1,0,0|1,0,1]=4 885 B11R1.4 CCCCCNc1cccs1 b90d3a17dbc283de48613a781580a30c [1,0,0,1,0,0|1,1,0]=4 886 B11R1.4 CCCCCNc1ccoc1 873754c10feb0cec44bbaccf311bec49 [1,0,0,1,0,0|2,0,0]=4 887 B11R1.4 CCCCCNc1ccsc1 de022f84aa76209e7bcaabaa38bac726 [1,0,0,1,0,0|2,0,0]=4 888 B11R1.4 CCCCCOc1ccco1 765a6b19c6da88e1e0ac7cbcc3169645 [1,0,0,1,0,0|1,0,1]=4 889 B11R1.4 CCCCCOc1cccs1 7728517f8bb9acd624edad115aa58ef5 [1,0,0,1,0,0|1,1,0]=4 890 B11R1.4 CCCCCOc1ccsc1 dd49135ea18d372e9a057cf4e9f47384 [1,0,0,1,0,0|2,0,0]=4 891 B11R1.4 CCCCNCc1cc[nH]c1 051fa8aa73cb52f6bf59a0b60ece2323 [1,0,0,1,0,0|2,0,0]=4 892 B11R1.4 CCCCNCc1ccc[nH]1 8f70a5f3b98455984453df40f90e0765 [1,0,0,1,0,0|2,0,0]=4 893 B11R1.4 CCCCNCc1ccco1 c9dd13c1879595fe1a868b7933bb7fce [1,0,0,1,0,0|1,0,1]=4 894 B11R1.4 CCCCNCc1cccs1 af82f42e07056437823a093033a20c93 [1,0,0,1,0,0|1,1,0]=4 895 B11R1.4 CCCCNCc1ccoc1 ab8253f518ded2d472c649b3f9cb4c45 [1,0,0,1,0,0|2,0,0]=4 896 B11R1.4 CCCCNCc1ccsc1 fad81054f84c8302ac588ac9e034d301 [1,0,0,1,0,0|2,0,0]=4 897 B11R1.4 CCCCOCc1cc[nH]c1 581bc78654672672d8839f84f1994efa [1,0,0,1,0,0|2,0,0]=4 898 B11R1.4 CCCCOCc1ccc[nH]1 f3fb6b951360ba51a09fd1477fb79c9e [1,0,0,1,0,0|2,0,0]=4 899 B11R1.4 CCCCOCc1ccco1 b9903212f19458d57de7d6a4cad87304 [1,0,0,1,0,0|1,0,1]=4 900 B11R1.4 CCCCOCc1cccs1 9a50b928bc33363387fdc671f0c971e0 [1,0,0,1,0,0|1,1,0]=4 901 B11R1.4 CCCCOCc1ccoc1 1cadfa682bb5a9af12fa0ba0bf74414e [1,0,0,1,0,0|2,0,0]=4 902 B11R1.4 CCCCOCc1ccsc1 758768cfe76022235190e084f876000a [1,0,0,1,0,0|2,0,0]=4 903 B11R1.4 CCCNCCc1ccc[nH]1 8147e22ed6a84884178e68e4a2d743df [1,0,0,1,0,0|2,0,0]=4 904 B11R1.4 CCCNCCc1ccco1 6b925e785b195733bc9096e5bb1e098f [1,0,0,1,0,0|1,0,1]=4 905 B11R1.4 CCCNCCc1cccs1 b4154059d941d51114a95a825d16ee4d [1,0,0,1,0,0|1,1,0]=4 906 B11R1.4 CCCNCCc1ccsc1 1536374e7579f3b5df16484c53bd352f [1,0,0,1,0,0|2,0,0]=4 907 B11R1.4 CCCNCCn1cccc1 2c5d0ecf4255a9ecb9679f6052dd7095 [1,0,0,1,0,0|2,0,0]=4 908 B11R1.4 CCCOCCc1ccc[nH]1 5fef4db54b1b5d041886351ac954673a [1,0,0,1,0,0|2,0,0]=4 909 B11R1.4 CCCOCCc1ccco1 7e3a9046d4399a2533dc33c2e64d0238 [1,0,0,1,0,0|1,0,1]=4 910 B11R1.4 CCCOCCc1cccs1 3efc7159f8ad1bcf58697e9254fd54d1 [1,0,0,1,0,0|1,1,0]=4 911 B11R1.4 CCCOCCc1ccoc1 bc991c92cafa29c358102c9d241d422b [1,0,0,1,0,0|2,0,0]=4 912 B11R1.4 CCCOCCc1ccsc1 93af440748e435ae9ef2283312b49f0a [1,0,0,1,0,0|2,0,0]=4 913 B11R1.4 CCCOCCn1cccc1 56ffc6bce88a3c31d83fbdbc55fd9a5b [1,0,0,1,0,0|2,0,0]=4 914 B11R1.4 CCNCCCc1ccco1 43406731f71a6d17b9e88a0e0d1fd4a9 [1,0,0,1,0,0|1,0,1]=4 915 B11R1.4 CCNCCCc1cccs1 4f6ad20c34b73563b328c34ff6e893f6 [1,0,0,1,0,0|1,1,0]=4 916 B11R1.4 CCNCCCn1cccc1 bd430d07ea67406d15430a2a7b88d638 [1,0,0,1,0,0|2,0,0]=4 917 B11R1.4 CCOCCCc1ccco1 ff0106fb5384705690339b058590e0ea [1,0,0,1,0,0|1,0,1]=4 918 B11R1.4 CCOCCCc1cccs1 4cd565c71e10cfbbaae862aee5b0d4e4 [1,0,0,1,0,0|1,1,0]=4 919 B11R1.4 CCOCCCc1ccsc1 c73cd67ea9cc8ae727db74d99d865074 [1,0,0,1,0,0|2,0,0]=4 920 B11R1.4 CCOCCCn1cccc1 4c480c0d94da65b00d4b5e45367bfb8d [1,0,0,1,0,0|2,0,0]=4 921 B11R1.4 O=C/C=C/COC1CCCC1 f1c02b3c96a4d695daeeb63053b23977 [1,0,0,1,0,0|1,0,1]=4 922 B11R1.17 CCCOn1ccccc1=O 92412e4a3e132ee80b8a961a7007d7f9 [1,0,0,1,0,0|2,0,0]=4 923 B11R1.28 CCCCNc1ccccc1 178647391839dfbe95aed182d7dc43ba [1,0,0,1,0,0|1,0,1]=4 924 B11R1.28 CCCCNc1ccccn1 91c5e93b79177d6bf2e79f08485f5335 [1,0,0,1,0,0|2,0,0]=4 925 B11R1.28 CCCCOc1ccccn1 6484ab4f70c598bfd74c056129d64bfe [1,0,0,1,0,0|2,0,0]=4 926 B11R1.28 CCCNCc1ccccc1 6e74fa6187fccbc3617e9cc264b3e7aa [1,0,0,1,0,0|1,0,1]=4 927 B11R1.28 CCCNCc1ccccn1 80119cb7f5f54b354b4e2a1110975477 [1,0,0,1,0,0|2,0,0]=4 928 B11R1.28 CCCOCc1ccccc1 112c1e14e862b8fbffa225764759b8ec [1,0,0,1,0,0|1,0,1]=4 929 B11R1.28 CCCOCc1ccccn1 a2de9c7a7551b2ca6641b10a888e1203 [1,0,0,1,0,0|2,0,0]=4 930 B11R1.28 CCNCCc1ccccc1 a4bcdd097e726e04ab2794cdb42f5f71 [1,0,0,1,0,0|1,0,1]=4 931 B11R1.28 CCNCCc1ccccn1 08ffb64a8c703d8e611cb4b81d73ea48 [1,0,0,1,0,0|2,0,0]=4 932 B11R1.28 CCOCCc1ccccc1 4c8fc52cc53157c0b0cd10959d18f86a [1,0,0,1,0,0|1,0,1]=4 933 B11R1.28 CCOCCc1ccccn1 0d3553a98e2eb283c6e354f56bb7c09d [1,0,0,1,0,0|2,0,0]=4 934 B11R1.47 C/C=C/C=C/COC1CCC1 6b634755da4890c0823a82e2f17143a4 [1,0,0,1,0,0|1,0,1]=4 935 B11R1.47 C=C/C=C/CCNC1CCC1 98eadf1ffd48d2acde1848c1cd2264d2 [1,0,0,1,0,0|1,0,1]=4 936 B11R1.47 CC=CC=CCOC1CCC1 a017f3879422ef9922207e9373629d03 [1,0,0,1,0,0|1,0,1]=4 937 B11R1.47 O=C/C=C/COCC1CCC1 7ca9fa40ce51ac12cac17c2cfd7bdcca [1,0,0,1,0,0|1,0,1]=4 938 B11R1.99 C/C=C/C=C/COCC1CC1 6102a1b390066638802d1ac9c825c519 [1,0,0,1,0,0|1,0,1]=4 939 B11R1.99 C=C/C=C/CCNCC1CC1 8cef252e2f442b3961acffac8de996f0 [1,0,0,1,0,0|1,0,1]=4 940 B11R1.99 CC=CC=CCOCC1CC1 272d719afeae11bed0a4026f2d074430 [1,0,0,1,0,0|1,0,1]=4 941 B11R1.99 O=C/C=C/COCCC1CC1 62e7251704b54a21651dd2b60400b7e0 [1,0,0,1,0,0|1,0,1]=4 942 B11R1.117 O=CNC1/C=C\CCCCC1 0a820374c9697ae84f9f2147b6caea46 [1,0,0,1,0,0|1,0,1]=4 943 B13R1.6 CCCCCNc1cc(ccn1)Br feccf6cb7ee98646187f9226e889a7cb [0,1,0,1,0,0|2,0,0]=4 944 B13R1.6 CCCCCNc1cc(ccn1)C 5866dbb14a2479357a3631f1bd7989c0 [0,1,0,1,0,0|2,0,0]=4 945 B13R1.6 CCCCCNc1cc(ccn1)Cl a7dc4b3e0fbefe6f28a8be2eb128b97b [0,1,0,1,0,0|2,0,0]=4 946 B13R1.6 CCCCCNc1cc(ccn1)F b11a497c02efec075ff7de03f3fc4a1a [0,1,0,1,0,0|2,0,0]=4 947 B13R1.6 CCCCCNc1cc(ccn1)I bd04dcc1047f081c347fafcc743fa54d [0,1,0,1,0,0|2,0,0]=4 948 B13R1.6 CCCCCNc1cc[nH]c(=O)c1 9afdb3eef4fe7389f14036b0c209a7e3 [0,1,0,1,0,0|2,0,0]=4 949 B13R1.6 CCCCCNc1cc[nH]c(=O)n1 c020fa79085c27a66debf5606308bc36 [0,1,0,1,0,0|2,0,0]=4 950 B13R1.6 CCCCCNc1cccc(=O)[nH]1 061a8cfdf8b3c3a85fd1e3068fe292fc [0,1,0,1,0,0|1,0,0]=3 951 B13R1.6 CCCCCNc1cccc(c1)Br e25c5679df4aebfb8230a9c45a0f1c2e [0,1,0,1,0,0|2,0,0]=4 952 B13R1.6 CCCCCNc1cccc(c1)C 90ded62860b66c5d23f6c238d12f21f0 [0,1,0,1,0,0|2,0,0]=4 953 B13R1.6 CCCCCNc1cccc(c1)Cl 573750f7b3b47458d32f54142f4b7f21 [0,1,0,1,0,0|2,0,0]=4 954 B13R1.6 CCCCCNc1cccc(c1)F cc45f88bce84aeaa26291add2afa19c7 [0,1,0,1,0,0|2,0,0]=4 955 B13R1.6 CCCCCNc1cccc(c1)I 3cab09806d0f96a8622c5b62d5aa79e8 [0,1,0,1,0,0|2,0,0]=4 956 B13R1.6 CCCCCNc1cccc(c1)O b37d97c85f83c771c4c409a4c5b334bf [0,1,0,1,0,0|1,0,1]=4 957 B13R1.6 CCCCCNc1cccc(c1)S 4ad3b15cc25abfcc6d5b464c600f4456 [0,1,0,1,0,0|1,1,0]=4 958 B13R1.6 CCCCCNc1cccc(n1)Br 9b1728d06152f48883d2812d99ad4d02 [0,1,0,1,0,0|2,0,0]=4 959 B13R1.6 CCCCCNc1cccc(n1)C 70012ab0ee4af6d1b7365c55efcb97b6 [0,1,0,1,0,0|2,0,0]=4 960 B13R1.6 CCCCCNc1cccc(n1)Cl dea9790273aee5bd3aaa2c3b38715097 [0,1,0,1,0,0|2,0,0]=4 961 B13R1.6 CCCCCNc1cccc(n1)F b6b68ea93c927db4effc3609bf8de69e [0,1,0,1,0,0|2,0,0]=4 962 B13R1.6 CCCCCNc1cccc(n1)I eeb8494e34c54dbc5d555c30c4d0dc88 [0,1,0,1,0,0|2,0,0]=4 963 B13R1.6 CCCCCNc1nccc(=O)[nH]1 3d31eb6f49424eae535a180c61bc184c [0,1,0,1,0,0|2,0,0]=4 964 B13R1.6 CCCCCOc1cc(ccn1)Br 622d1efb764426021cbef8e0005c0adb [0,1,0,1,0,0|2,0,0]=4 965 B13R1.6 CCCCCOc1cc(ccn1)C a99b432978924ecd3c12462afcce6409 [0,1,0,1,0,0|2,0,0]=4 966 B13R1.6 CCCCCOc1cc(ccn1)Cl 199a0b735d59525f3122ec778bd9bb88 [0,1,0,1,0,0|2,0,0]=4 967 B13R1.6 CCCCCOc1cc(ccn1)F 7f154ef77416369a6f8831c6c51ab600 [0,1,0,1,0,0|2,0,0]=4 968 B13R1.6 CCCCCOc1cccc(=O)[nH]1 efa1275f5ccb4d4e3e4fcc3ce55a2f85 [0,1,0,1,0,0|1,0,0]=3 969 B13R1.6 CCCCCOc1cccc(c1)Br e7333ea95aa551c2511ecae95cabb5fb [0,1,0,1,0,0|2,0,0]=4 970 B13R1.6 CCCCCOc1cccc(c1)C b1149b4680d107baeb74a61ca0cfbaca [0,1,0,1,0,0|2,0,0]=4 971 B13R1.6 CCCCCOc1cccc(c1)Cl 7d564bd0a00c1d61770abe5e91841fd6 [0,1,0,1,0,0|2,0,0]=4 972 B13R1.6 CCCCCOc1cccc(c1)F 78577f6711392062b139a0452035d431 [0,1,0,1,0,0|2,0,0]=4 973 B13R1.6 CCCCCOc1cccc(c1)I 7a90fd5bf21017e44019f2f6a5f69537 [0,1,0,1,0,0|2,0,0]=4 974 B13R1.6 CCCCCOc1cccc(c1)S 48135047bdce92f027a702bcef8929f7 [0,1,0,1,0,0|1,1,0]=4 975 B13R1.6 CCCCCOc1cccc(n1)Br 6a1682ecc7538f90d94ba15ec0d0a992 [0,1,0,1,0,0|2,0,0]=4 976 B13R1.6 CCCCCOc1cccc(n1)C 7e353cc0ecfd4f4fcea63065a184d797 [0,1,0,1,0,0|2,0,0]=4 977 B13R1.6 CCCCCOc1cccc(n1)F e83a8939e5df735457e755041186ff6f [0,1,0,1,0,0|2,0,0]=4 978 B13R1.6 CCCCNCc1cc(ccn1)Br 125fe59e156220d139138e453552de26 [0,1,0,1,0,0|2,0,0]=4 979 B13R1.6 CCCCNCc1cc(ccn1)C 95bd77345c8033991a281a9898893898 [0,1,0,1,0,0|2,0,0]=4 980 B13R1.6 CCCCNCc1cc(ccn1)Cl 32a74870ee10d0f1dd2200e8f163aced [0,1,0,1,0,0|2,0,0]=4 981 B13R1.6 CCCCNCc1cc[nH]c(=O)c1 79709f2a635a7344bcdba0677b1c98b3 [0,1,0,1,0,0|2,0,0]=4 982 B13R1.6 CCCCNCc1cc[nH]c(=O)n1 5e15c5325f13ae0a99a877acb5f56313 [0,1,0,1,0,0|2,0,0]=4 983 B13R1.6 CCCCNCc1cccc(c1)Br e4cfc279cec1c38687aabe7dde977467 [0,1,0,1,0,0|2,0,0]=4 984 B13R1.6 CCCCNCc1cccc(c1)C 856001d358db010c3288786e4c699b84 [0,1,0,1,0,0|2,0,0]=4 985 B13R1.6 CCCCNCc1cccc(c1)Cl c842ccfec97732d204defd93e4bc23cc [0,1,0,1,0,0|2,0,0]=4 986 B13R1.6 CCCCNCc1cccc(c1)F 19f9bbcc92648660d092dad7af571542 [0,1,0,1,0,0|2,0,0]=4 987 B13R1.6 CCCCNCc1cccc(c1)I 2c72c6b3ccc2697776d66d905723a683 [0,1,0,1,0,0|2,0,0]=4 988 B13R1.6 CCCCNCc1cccc(n1)Br 8830c2a1d0f8f6a561d5850eb0f0af22 [0,1,0,1,0,0|2,0,0]=4 989 B13R1.6 CCCCNCc1cccc(n1)C 914cdfd334e9a30cfd53c05665b4ec0b [0,1,0,1,0,0|2,0,0]=4 990 B13R1.6 CCCCNCc1cccc(n1)Cl c960652668e977dd93c94575d80feb24 [0,1,0,1,0,0|2,0,0]=4 991 B13R1.6 CCCCNCc1cccc(n1)F 8bc04534c5b4c31d8b247c0477aef8f1 [0,1,0,1,0,0|2,0,0]=4 992 B13R1.6 CCCCOCc1cc(ccn1)Br e457db6ad4ecbbbe11e444326810a133 [0,1,0,1,0,0|2,0,0]=4 993 B13R1.6 CCCCOCc1cc(ccn1)C 9d39fc7de0ce63a33d3bc4572e28c7cf [0,1,0,1,0,0|2,0,0]=4 994 B13R1.6 CCCCOCc1cc(ccn1)Cl 9944cffbe1405fdb54e093bce307392f [0,1,0,1,0,0|2,0,0]=4 995 B13R1.6 CCCCOCc1cc(ccn1)F df525079f55a26774d291707ed509b38 [0,1,0,1,0,0|2,0,0]=4 996 B13R1.6 CCCCOCc1cc(ccn1)I 4e0a8d5bf67870ee4cafdea54b290c1d [0,1,0,1,0,0|2,0,0]=4 997 B13R1.6 CCCCOCc1cc[nH]c(=O)c1 5fe7061a39e5572c049b413f2fad2fd1 [0,1,0,1,0,0|2,0,0]=4 998 B13R1.6 CCCCOCc1cccc(c1)Br 575063df90c05b42625c19dcb4477157 [0,1,0,1,0,0|2,0,0]=4 999 B13R1.6 CCCCOCc1cccc(c1)C 2d07d1d37dabd008e812a7c5ac2afc6f [0,1,0,1,0,0|2,0,0]=4 1000 B13R1.6 CCCCOCc1cccc(c1)Cl d9dbafdf71c8a3c22ab0b549d5535088 [0,1,0,1,0,0|2,0,0]=4 1001 B13R1.6 CCCCOCc1cccc(c1)F aa30864e46d097125efa7d3ba08f3aaa [0,1,0,1,0,0|2,0,0]=4 1002 B13R1.6 CCCCOCc1cccc(c1)I 7099ebc40a2b9e66556b3da67a4467d8 [0,1,0,1,0,0|2,0,0]=4 1003 B13R1.6 CCCCOCc1cccc(n1)Br cfd8c0ec9cffe61d424b2c0688527b8d [0,1,0,1,0,0|2,0,0]=4 1004 B13R1.6 CCCCOCc1cccc(n1)C 57432e226a623b07c5f859b4c6f15b1e [0,1,0,1,0,0|2,0,0]=4 1005 B13R1.6 CCCCOCc1cccc(n1)Cl 9c473d4eff32b39aaaf5be5b0ca0c4e3 [0,1,0,1,0,0|2,0,0]=4 1006 B13R1.6 CCCCOCc1cccc(n1)F 742f9eb9bbc191ed9b594e879ee979ab [0,1,0,1,0,0|2,0,0]=4 1007 B13R1.6 CCCCOCc1cccc(n1)I 158e43b204e4204283e69bdca473fc73 [0,1,0,1,0,0|2,0,0]=4 1008 B13R1.6 CCCCOCc1ccnc(=O)[nH]1 db4fcc0f6d4ef1bc25f332343104d8c7 [0,1,0,1,0,0|2,0,0]=4 1009 B13R1.6 CCCNCCc1cccc(c1)Br 29ee5963fbc2b7ff2660166095d0f947 [0,1,0,1,0,0|2,0,0]=4 1010 B13R1.6 CCCNCCc1cccc(c1)C e424052a4faeea3c32ca5211c663272d [0,1,0,1,0,0|2,0,0]=4 1011 B13R1.6 CCCNCCc1cccc(c1)Cl 81fe509e557a8d2567bf07dbdfbf87a9 [0,1,0,1,0,0|2,0,0]=4 1012 B13R1.6 CCCNCCc1cccc(c1)F 1fceda4763e375f5d115f6e7e4ef88a0 [0,1,0,1,0,0|2,0,0]=4 1013 B13R1.6 CCCNCCc1cccc(c1)I 43a8e7b3d1ef9dd0d16384978a631250 [0,1,0,1,0,0|2,0,0]=4 1014 B13R1.6 CCCNCCc1cccc(n1)C a8e43caa7b6402d0cfdfa4baf2f09c56 [0,1,0,1,0,0|2,0,0]=4 1015 B13R1.6 CCCOCCc1cc(ccn1)Br e4d3ccc023ebeba7c36068e2bd71e14a [0,1,0,1,0,0|2,0,0]=4 1016 B13R1.6 CCCOCCc1cccc(c1)Br 472e66ed6019162da37846b891ca4f92 [0,1,0,1,0,0|2,0,0]=4 1017 B13R1.6 CCCOCCc1cccc(c1)C d552fd8338f474efe995c47cfd8e44a6 [0,1,0,1,0,0|2,0,0]=4 1018 B13R1.6 CCCOCCc1cccc(c1)Cl b5942d4f019b75f0a54431df184a8d2d [0,1,0,1,0,0|2,0,0]=4 1019 B13R1.6 CCCOCCc1cccc(c1)F d0c9f3bd992bab63c6470c4cf9daf4a9 [0,1,0,1,0,0|2,0,0]=4 1020 B13R1.6 CCCOCCc1cccc(c1)I f2ad0b971e8fc825f5ae45711686d3fa [0,1,0,1,0,0|2,0,0]=4 1021 B13R1.6 CCCOCCc1cccc(n1)Br 4fd378333251aa47b0a3e2b77c7770b7 [0,1,0,1,0,0|2,0,0]=4 1022 B13R1.6 CCCOCCc1cccc(n1)C e13b856777d64e2081b4aa4abeda0248 [0,1,0,1,0,0|2,0,0]=4 1023 B13R1.6 CCCOCCc1cccc(n1)Cl e5f5eeb781047b210941bdd1950668c4 [0,1,0,1,0,0|2,0,0]=4 1024 B13R1.6 CCNCCCc1cccc(c1)Br 1ec5c8533f0046ced622270b0b38d4bc [0,1,0,1,0,0|2,0,0]=4 1025 B13R1.6 CCNCCCc1cccc(c1)C 796a7e41d7e7d02f283bb4a6d9f50135 [0,1,0,1,0,0|2,0,0]=4 1026 B13R1.6 CCNCCCc1cccc(c1)Cl 8a91d52b6a634c7639648e62355a3091 [0,1,0,1,0,0|2,0,0]=4 1027 B13R1.6 CCNCCCc1cccc(c1)F a116d2cc622dabe580bf634af1fc004b [0,1,0,1,0,0|2,0,0]=4 1028 B13R1.6 CCOCCCc1cccc(c1)Br 8680f4b5705c6eea362d4c60872a31d8 [0,1,0,1,0,0|2,0,0]=4 1029 B13R1.6 CCOCCCc1cccc(c1)C a73ed073a6ac3506d1865811b23f7665 [0,1,0,1,0,0|2,0,0]=4 1030 B13R1.6 CCOCCCc1cccc(c1)Cl aac42f96c49b3e42f23e8afa48f1720f [0,1,0,1,0,0|2,0,0]=4 1031 B13R1.6 CCOCCCc1cccc(c1)F 8e0c0afae2e652ba405335511fd17c81 [0,1,0,1,0,0|2,0,0]=4 1032 B13R1.6 CCOCCCc1cccc(n1)C a24968bc4f164b75460a9cf0aa7c4947 [0,1,0,1,0,0|2,0,0]=4 1033 B13R1.6 CCOCCNc1cccc(=O)[nH]1 94e9e7a42e3adf94c8f82e82366b5d09 [0,1,0,1,0,0|2,0,0]=4 1034 B13R1.6 CCOCCOc1cccc(=O)[nH]1 3401fcb573ff811b87b32746c1dc3895 [0,1,0,1,0,0|2,0,0]=4 1035 B13R1.6 CCSCCOc1cccc(=O)[nH]1 f305bdd76b8bbc58cba56b7eca26d121 [0,1,0,1,0,0|2,0,0]=4 1036 B13R1.6 COCCCNc1cccc(=O)[nH]1 2ad7c54c4d19168f75599715d3e5cfe1 [0,1,0,1,0,0|2,0,0]=4 1037 B13R1.6 COCCCOc1cccc(=O)[nH]1 1cfaf1ad4322406e6bbe33a850387a61 [0,1,0,1,0,0|2,0,0]=4 1038 B13R1.6 CSCCCNc1cccc(=O)[nH]1 5883ee40a10885dce99223b5938fc0d4 [0,1,0,1,0,0|2,0,0]=4 1039 B13R1.6 CSCCCOc1cccc(=O)[nH]1 35b0840be469e3f1b5c78cf58859d1d2 [0,1,0,1,0,0|2,0,0]=4 1040 B13R1.6 O=c1cccc([nH]1)NCCCCCl 16d7528bb9cb3e31a321632081da4dce [0,1,0,1,0,0|2,0,0]=4 1041 B13R1.6 O=c1cccc([nH]1)NCCCCO afef49aa78f93c7af4dd22579c5a95ff [0,1,0,1,0,0|2,0,0]=4 1042 B13R1.6 O=c1cccc([nH]1)NCCCCS 94079f6b682a11e7e2e1de19b668ff2d [0,1,0,1,0,0|2,0,0]=4 1043 B13R1.6 O=c1cccc([nH]1)OCCCCF e59c698a0ad7c7329b64dbaac60a06bc [0,1,0,1,0,0|2,0,0]=4 1044 B13R1.42 CCCC(C)CNc1ccccc1 aceca67b9a8fe005c5366aac5e0a66b6 [0,1,0,1,0,0|2,0,0]=4 1045 B13R1.42 CCCC(C)CNc1ccccn1 0560692e416663f0ac279185bef51664 [0,1,0,1,0,0|2,0,0]=4 1046 B13R1.42 CCCC(C)COc1ccccn1 12dacfbbf1b488afb20dfda8d54da262 [0,1,0,1,0,0|2,0,0]=4 1047 B13R1.42 CCCC(C)NCc1ccccc1 53154217c268f5d0598e4e12f7d298bb [0,1,0,1,0,0|2,0,0]=4 1048 B13R1.42 CCCC(C)NCc1ccccn1 8d24e4762bc738925b72abf65fc6cce5 [0,1,0,1,0,0|2,0,0]=4 1049 B13R1.42 CCCC(C)OCc1ccccc1 62e10e03a43d42ba7fb192a9435404e6 [0,1,0,1,0,0|2,0,0]=4 1050 B13R1.42 CCCC(C)OCc1ccccn1 40f8e0befb3c172df16b70dd460301bf [0,1,0,1,0,0|2,0,0]=4 1051 B13R1.42 CCCC(O)CNc1ccccc1 220474775c6cbfc6d80aa13b0113711a [0,1,0,1,0,0|2,0,0]=4 1052 B13R1.42 CCCN(C)CCc1ccccc1 a41beb51cc343624f1c890785f4bdd38 [0,1,0,1,0,0|2,0,0]=4 1053 B13R1.42 CCCN(C)CCc1ccccn1 9d41cae91559775116f2c67bba968325 [0,1,0,1,0,0|2,0,0]=4 1054 B13R1.42 CCC[C@@H](C)OCc1ccccc1 db98b5f2c49d1e3ddf209846b4784b59 [0,1,0,1,0,0|2,0,0]=4 1055 B13R1.42 CCC[C@@H](C)OCc1ccccn1 bd41dc578e8d2658484f7b46e8b4f85e [0,1,0,1,0,0|2,0,0]=4 1056 B13R1.42 CCC[C@H](C)NCc1ccccc1 d8804a42c825fa4b5c431612e37bfcee [0,1,0,1,0,0|2,0,0]=4 1057 B13R1.42 CCC[C@H](C)NCc1ccccn1 a8d17443222f253ff8727d9abec4ab0c [0,1,0,1,0,0|2,0,0]=4 1058 B13R1.42 CCC[C@H](C)OCc1ccccc1 8c3ca82fcc39937ab59845512a9cd17f [0,1,0,1,0,0|2,0,0]=4 1059 B13R1.42 CCC[C@H](C)OCc1ccccn1 02380f6eb798b82e0d812ea1d39d39b8 [0,1,0,1,0,0|2,0,0]=4 1060 B13R1.42 CCNC(C)CCc1ccccc1 3a85d48c04505575d5467bc0bd9af811 [0,1,0,1,0,0|2,0,0]=4 1061 B13R1.42 CCN[C@@H](C)CCc1ccccc1 25cc2dcf1297b4ba66d4746337c79bd1 [0,1,0,1,0,0|2,0,0]=4 1062 B13R1.42 CCN[C@H](C)CCc1ccccc1 77d995264aa903f3deaa67a682fcce7b [0,1,0,1,0,0|2,0,0]=4 1063 B13R1.42 CCOC(C)CCc1ccccc1 23579034bfebccfffc6e55cea5f13e11 [0,1,0,1,0,0|2,0,0]=4 1064 B13R1.42 CCO[C@@H](C)CCc1ccccc1 b70a0a77f96b996d192896970f07f491 [0,1,0,1,0,0|2,0,0]=4 1065 B13R1.42 CCO[C@H](C)CCc1ccccc1 825f854f5bf562ec2e457866b3a4856f [0,1,0,1,0,0|2,0,0]=4 1066 B13R1.119 C/C=C/C=C/COCC1CCCC1 8b8a6bd747cf5886acbd3cba83285c1c [0,1,0,1,0,0|1,0,1]=4 1067 B13R1.119 CC=CC=CCOCC1CCCC1 be3deb8d5eed18fd94d7f38b4d76c5d8 [0,1,0,1,0,0|1,0,1]=4 1068 B13R1.119 CCCCCCCNc1ccco1 5788a81603ae17fd232bf7cbf4016f1d [0,1,0,1,0,0|0,0,2]=4 1069 B13R1.119 CCCCCCCNc1cccs1 5558ba372f2c4022254650690df3aa63 [0,1,0,1,0,0|0,1,1]=4 1070 B13R1.119 CCCCCCCOc1ccco1 726b00606f6854cb2c29ab7ea112ba8d [0,1,0,1,0,0|0,0,2]=4 1071 B13R1.119 CCCCCCCOc1cccs1 87b02f934531746901f60d0ad336afbc [0,1,0,1,0,0|0,1,1]=4 1072 B13R1.119 CCCCCCNCc1ccc[nH]1 c7e63218da869ee91076017c5d87c9b1 [0,1,0,1,0,0|1,0,1]=4 1073 B13R1.119 CCCCCCNCc1ccco1 0150c8e3304ab724aacea4de973ee0c1 [0,1,0,1,0,0|0,0,2]=4 1074 B13R1.119 CCCCCCNCc1cccs1 8cab5230bcc59db3876b389194a4f839 [0,1,0,1,0,0|0,1,1]=4 1075 B13R1.119 CCCCCCOCc1ccc[nH]1 3111c36a3f1f10165ce4a756151b04fe [0,1,0,1,0,0|1,0,1]=4 1076 B13R1.119 CCCCCCOCc1ccco1 66099577a7dfad5eafbed3dc6f1dd4d0 [0,1,0,1,0,0|0,0,2]=4 1077 B13R1.119 CCCCCCOCc1cccs1 51885c5908059d2951d9d1dc44d4422a [0,1,0,1,0,0|0,1,1]=4 1078 B13R1.119 CCCCCNCCc1ccc[nH]1 f62bc1c9167bdada7e4197c4f2c7abc5 [0,1,0,1,0,0|1,0,1]=4 1079 B13R1.119 CCCCCNCCc1ccco1 885015107107112ed8577d57f4cacca3 [0,1,0,1,0,0|0,0,2]=4 1080 B13R1.119 CCCCCNCCc1cccs1 7a4052e107a8b1a1a6d48975081b79a5 [0,1,0,1,0,0|0,1,1]=4 1081 B13R1.119 CCCCCOCCc1ccc[nH]1 c5fce80948926f236aeb6e71bf857fe0 [0,1,0,1,0,0|1,0,1]=4 1082 B13R1.119 CCCCCOCCc1ccco1 5261ffd255a619a2ad6edd192915018b [0,1,0,1,0,0|0,0,2]=4 1083 B13R1.119 CCCCCOCCc1cccs1 1297ce8e39b3ac90e7853ee33887fd3a [0,1,0,1,0,0|0,1,1]=4 1084 B13R1.119 CCCCNCCCc1ccco1 74377bf01cb28334677c4a0759d73c76 [0,1,0,1,0,0|0,0,2]=4 1085 B13R1.119 CCCCNCCCc1cccs1 bc9154899222b5d1c6a10f6b211639e7 [0,1,0,1,0,0|0,1,1]=4 1086 B13R1.119 CCCCOCCCc1ccco1 ec547c4f5f74682d68c926c116d3d038 [0,1,0,1,0,0|0,0,2]=4 1087 B13R1.119 CCCCOCCCc1cccs1 6de647511a559dfef89c9e57f15c0396 [0,1,0,1,0,0|0,1,1]=4 1088 B13R1.119 CCCCOCCNc1ccco1 023d9e49be50030b8dd0ed9dd7b3d9a9 [0,1,0,1,0,0|1,0,1]=4 1089 B13R1.119 CCCCOCCNc1cccs1 80c23a4284146c191e769657cda853f3 [0,1,0,1,0,0|1,1,0]=4 1090 B13R1.119 CCCCOCCOc1ccco1 2a255f37f068e0f22f82c1f408a4d6b8 [0,1,0,1,0,0|1,0,1]=4 1091 B13R1.119 CCCCOCCOc1cccs1 8ca72392ecc684b3d8832a1b82436b41 [0,1,0,1,0,0|1,1,0]=4 1092 B13R1.119 CCCCOCCSc1cccs1 cbda16688acea41244a69f9c627c3cf7 [0,1,0,1,0,0|1,1,0]=4 1093 B13R1.119 CCCOCCCNc1ccco1 82346a8df777f55a7dcd75f161ad217e [0,1,0,1,0,0|1,0,1]=4 1094 B13R1.119 CCCOCCCNc1cccs1 0b727b2004be8991caddaef968a3c2b1 [0,1,0,1,0,0|1,1,0]=4 1095 B13R1.119 CCCOCCCOc1ccco1 bb2fb547697192c0d489a7472d1e2aec [0,1,0,1,0,0|1,0,1]=4 1096 B13R1.119 CCCOCCCOc1cccs1 87771a15e3104e8cc0758bbc98801831 [0,1,0,1,0,0|1,1,0]=4 1097 B13R1.119 CCSCCCCNc1ccco1 2eb900c766b07425f66610150b7b1237 [0,1,0,1,0,0|1,0,1]=4 1098 B13R1.119 CCSCCCCNc1cccs1 a2467689c65fadee37f1a6ceff1807b9 [0,1,0,1,0,0|1,1,0]=4 1099 B13R1.119 COCCCCCNc1ccco1 78ecfbc603e83a8343fe205f4f5e2816 [0,1,0,1,0,0|1,0,1]=4 1100 B13R1.119 COCCCCCNc1cccs1 a00e6265cacbd1c349fdbf0e0b44ad61 [0,1,0,1,0,0|1,1,0]=4 1101 B13R1.119 COCCCCCOc1ccco1 55ec577a8048b4f52bebc50fdea7dc6a [0,1,0,1,0,0|1,0,1]=4 1102 B13R1.119 COCCCCCOc1cccs1 f21c951e613b88e7e60612783a34b932 [0,1,0,1,0,0|1,1,0]=4 1103 B13R1.119 ClCCCCCCNc1ccco1 fe28c898e4d9a904f38f70f9a8ec925a [0,1,0,1,0,0|1,0,1]=4 1104 B13R1.119 ClCCCCCCNc1cccs1 64594f177cb75fd72a7134977efa861a [0,1,0,1,0,0|1,1,0]=4 1105 B13R1.119 FCCCCCCNc1cccs1 c4ead27472b7959f55fed98ea6410ab4 [0,1,0,1,0,0|1,1,0]=4 1106 B13R1.119 FCCCCCCOc1ccco1 421b441c5a0852a324173ae67f90029e [0,1,0,1,0,0|1,0,1]=4 1107 B13R1.119 FCCCCCCOc1cccs1 3055be864d435f81623dcea35504d7e2 [0,1,0,1,0,0|1,1,0]=4 1108 B13R1.119 O=C/C=C/COCCC1CCCC1 a2e1c77d324cfcb33a040c0662ef2742 [0,1,0,1,0,0|0,0,2]=4 1109 B13R1.119 O=C/C=C/COCCC1CCCO1 aee81c896bcbcb47b49deb739379d199 [0,1,0,1,0,0|1,0,1]=4 1110 B13R1.119 O=C/C=C/COCCC1CCOC1 7e45ca85df2650b2df5602a8353acdcf [0,1,0,1,0,0|1,0,1]=4 1111 B13R1.119 O=C/C=C/COCCN1CCCC1 c7bfadd21b83c03ef60c3611feba9897 [0,1,0,1,0,0|1,0,1]=4 1112 B13R1.119 OCCCCCCNc1ccco1 5dfe346d5164ac32b9827d9649ab12bc [0,1,0,1,0,0|1,0,1]=4 1113 B13R1.119 OCCCCCCNc1cccs1 095ed0782744421d523077470bdf20f7 [0,1,0,1,0,0|1,1,0]=4 1114 B13R1.369 CCOCCn1ccc(cc1=O)Br 6c85a3fdf7bde6afd6ca123c69a5f6b3 [0,1,0,1,0,0|2,0,0]=4 1115 B13R1.470 CCCC(C)On1ccccc1=O 149b9a20a515f3203ce9fbd874919ba5 [0,1,0,1,0,0|2,0,0]=4 1116 B13R1.654 CC1COCC1COC/C=C/C=O 1fbae25113141a46493ba3dceb9dd877 [0,1,0,1,0,0|1,0,1]=4 1117 B13R1.654 CCCCCCNc1cccn1C 719e354f3c9fb006a37202a61f894ec9 [0,1,0,1,0,0|2,0,0]=4 1118 B13R1.654 CCCCCCNc1ccsc1C c661a29d3299aafcd4c8ce87e2157032 [0,1,0,1,0,0|2,0,0]=4 1119 B13R1.654 CCCCCCNc1cscc1C 15683becfd9e507e4bf1dca67f107742 [0,1,0,1,0,0|2,0,0]=4 1120 B13R1.654 CCCCCCNc1sccc1C 20ffb3b9e61a7d1390652ada384f2eb9 [0,1,0,1,0,0|1,1,0]=4 1121 B13R1.654 CCCCCCOC1=CCCC1=O aa443f56592ff50e5e7ea5912440f240 [0,1,0,1,0,0|0,0,2]=4 1122 B13R1.654 CCCCCCOc1cccn1C c6a0bc69cc3db99eaa4d71baab7118a2 [0,1,0,1,0,0|2,0,0]=4 1123 B13R1.654 CCCCCNCc1cccn1C d67cd963ec32cfd99b397d7b6bb56778 [0,1,0,1,0,0|2,0,0]=4 1124 B13R1.654 CCCCCNCc1ccoc1C 187dbd70c6b0a1a843e367ffbfc9aeed [0,1,0,1,0,0|2,0,0]=4 1125 B13R1.654 CCCCCNCc1ccsc1Br 48da97054fac217b2d76c4382e8a05cc [0,1,0,1,0,0|2,0,0]=4 1126 B13R1.654 CCCCCNCc1ccsc1Cl efe09345bba3466f2a6a6d8fcd873052 [0,1,0,1,0,0|2,0,0]=4 1127 B13R1.654 CCCCCNCc1cscc1Br 0c11d602b7874ffcd725545d57e1ab7a [0,1,0,1,0,0|2,0,0]=4 1128 B13R1.654 CCCCCNCc1occc1C b2f30c8bf617d0f679a2de5ea0aa8653 [0,1,0,1,0,0|2,0,0]=4 1129 B13R1.654 CCCCCNCc1sccc1Cl 9dc444d834e59ca8e6f9671e2380d70f [0,1,0,1,0,0|2,0,0]=4 1130 B13R1.654 CCCCCNCc1sccc1F 95357edb8a71c5e534480fd5bffcf01f [0,1,0,1,0,0|2,0,0]=4 1131 B13R1.654 CCCCCOCC1=CCCC1=O da1afdc19638d0c5ef04847a1d054e0f [0,1,0,1,0,0|0,0,2]=4 1132 B13R1.654 CCCCCOCc1cccn1C cdf35d994d17f9d603a34297d0337e29 [0,1,0,1,0,0|2,0,0]=4 1133 B13R1.654 CCCCCOCc1ccoc1C 920da468843532f1989a8e2e93a391f8 [0,1,0,1,0,0|2,0,0]=4 1134 B13R1.654 CCCCCOCc1ccsc1Br 70f985100cd090293b5d285df0f950b6 [0,1,0,1,0,0|2,0,0]=4 1135 B13R1.654 CCCCCOCc1ccsc1Cl e1ca37a8928de1bed5c50847e429fb51 [0,1,0,1,0,0|2,0,0]=4 1136 B13R1.654 CCCCCOCc1cscc1Br fe9551c35d0d229ce7c023683dee24d5 [0,1,0,1,0,0|2,0,0]=4 1137 B13R1.654 CCCCCOCc1cscc1C d7b2cd04155837f75cf5d58fa7a393ae [0,1,0,1,0,0|2,0,0]=4 1138 B13R1.654 CCCCCOCc1occc1Br 0d009ec92cec6a3254c07592092908ad [0,1,0,1,0,0|2,0,0]=4 1139 B13R1.654 CCCCCOCc1occc1C 16b1cbe5e2db47c5481cb22aeabe1a04 [0,1,0,1,0,0|2,0,0]=4 1140 B13R1.654 CCCCCOCc1sccc1C 157db1c76f3bb6c06ed89c8f187c3c1b [0,1,0,1,0,0|2,0,0]=4 1141 B13R1.654 CCCCCOCc1sccc1Cl 9b2b66b667cff8d8500867b21269d3d0 [0,1,0,1,0,0|2,0,0]=4 1142 B13R1.654 CCCCCOCc1sccc1F 286fd75a9354b53032f14be85899b174 [0,1,0,1,0,0|2,0,0]=4 1143 B13R1.654 CCCCNCCc1cccn1C 142dd584ee77cfd712502d15333a8348 [0,1,0,1,0,0|2,0,0]=4 1144 B13R1.654 CCCCNCCc1sccc1C a01fcac4f654f550ebeb0c34e45b7e1b [0,1,0,1,0,0|2,0,0]=4 1145 B13R1.654 CCCCNCCn1cc[nH]c1=O 0102d424091c261f5d43cd43fdccc74a [0,1,0,1,0,0|2,0,0]=4 1146 B13R1.654 CCCCOCCc1cccn1C 5172550bc91f8b483edd79d7bf85c250 [0,1,0,1,0,0|2,0,0]=4 1147 B13R1.654 CCCCOCCn1cc[nH]c1=O 9092a0408a165d1e480356f0aa418be3 [0,1,0,1,0,0|2,0,0]=4 1148 B13R1.28 BrCCNCCCc1ccccc1 fb0882a7609c333d856402492106c5a3 [0,1,0,1,0,0|2,0,0]=4 1149 B13R1.28 BrCCNCCCc1ccccn1 99decb6bfc6cc770dedd347e0f63edba [0,1,0,1,0,0|2,0,0]=4 1150 B13R1.28 C/C=C/C=C/COC1CCCCC1 e11a18248c48431efb0010f30cf70b48 [0,1,0,1,0,0|1,0,1]=4 1151 B13R1.28 CC=CC=CCOC1CCCCC1 64683fa25c21e525b961627f57eb1598 [0,1,0,1,0,0|1,0,1]=4 1152 B13R1.28 CCCCCCNc1ccccc1 048baa466684ceb36ce0ec04def923a7 [0,1,0,1,0,0|1,0,0]=3 1153 B13R1.28 CCCCCCNc1ccccn1 ea586188b0fe3baf5bdb7887dd5a5702 [0,1,0,1,0,0|1,0,0]=3 1154 B13R1.28 CCCCCCNc1cccnc1 7d1c621510db8e702966edda94a42213 [0,1,0,1,0,0|2,0,0]=4 1155 B13R1.28 CCCCCCNc1cccnn1 636a30df00d9cc910bfbc9fefc143b60 [0,1,0,1,0,0|2,0,0]=4 1156 B13R1.28 CCCCCCNc1ccncc1 57a244ed12e2aaacade906ad479d0009 [0,1,0,1,0,0|2,0,0]=4 1157 B13R1.28 CCCCCCNc1ccncn1 1d76d17f683a1b972dfa6cd0ddc0be16 [0,1,0,1,0,0|2,0,0]=4 1158 B13R1.28 CCCCCCNc1cnccn1 6b11896ad3c0fb38eb48f43cd7b17a0a [0,1,0,1,0,0|2,0,0]=4 1159 B13R1.28 CCCCCCNc1ncccn1 910c42138adc354fafaf1eb059de9b96 [0,1,0,1,0,0|2,0,0]=4 1160 B13R1.28 CCCCCCOc1ccccn1 d0fcd2e50a7cdeef600d7d7c11ff9582 [0,1,0,1,0,0|1,0,0]=3 1161 B13R1.28 CCCCCCOc1cccnc1 76e4a0b1ac556aa9e477636e1f8dd89a [0,1,0,1,0,0|2,0,0]=4 1162 B13R1.28 CCCCCCOc1ccncc1 31cc026bbc8708ee3022eca19ac7e8d0 [0,1,0,1,0,0|2,0,0]=4 1163 B13R1.28 CCCCCCOc1cnccn1 49ea171243eb3f5b4fcbb85aae0aa50c [0,1,0,1,0,0|2,0,0]=4 1164 B13R1.28 CCCCCCOc1ncccn1 bf7c57a2397c4a6fb8c0eab8d68ef7a8 [0,1,0,1,0,0|2,0,0]=4 1165 B13R1.28 CCCCCNCc1ccccc1 ceac33fb77d66ab1855d13c360a20a4d [0,1,0,1,0,0|1,0,0]=3 1166 B13R1.28 CCCCCNCc1ccccn1 27be1a171a28c70fc1c0e94d8437dafc [0,1,0,1,0,0|1,0,0]=3 1167 B13R1.28 CCCCCNCc1cccnc1 d2c766da9f03582c9a771ea0eff25d00 [0,1,0,1,0,0|2,0,0]=4 1168 B13R1.28 CCCCCNCc1cccnn1 3e262b08015b5028bf20f42dc9a8d302 [0,1,0,1,0,0|2,0,0]=4 1169 B13R1.28 CCCCCNCc1ccncc1 29e83b88b4ece089aec9527c6ff3f3e9 [0,1,0,1,0,0|2,0,0]=4 1170 B13R1.28 CCCCCNCc1ccncn1 1b13d6b750d7809230e0daabda274b71 [0,1,0,1,0,0|2,0,0]=4 1171 B13R1.28 CCCCCNCc1cnccn1 afd69870241628ec1b34d569f1cd3144 [0,1,0,1,0,0|2,0,0]=4 1172 B13R1.28 CCCCCNCc1ncccn1 145962832c63198408d515043a13d8ac [0,1,0,1,0,0|2,0,0]=4 1173 B13R1.28 CCCCCOCc1ccccc1 7cca4ff4b2d15a92f4795dbfa1992899 [0,1,0,1,0,0|1,0,0]=3 1174 B13R1.28 CCCCCOCc1ccccn1 0ba417f448bc1245af8da2a6e3d648f6 [0,1,0,1,0,0|1,0,0]=3 1175 B13R1.28 CCCCCOCc1cccnc1 cc529a7f196852dcb1bb1033e3a71e59 [0,1,0,1,0,0|2,0,0]=4 1176 B13R1.28 CCCCCOCc1cccnn1 ce97228cef2286e5b02af79124ae4e7f [0,1,0,1,0,0|2,0,0]=4 1177 B13R1.28 CCCCCOCc1ccncc1 0625b58747449f61f7743dde19c0769c [0,1,0,1,0,0|2,0,0]=4 1178 B13R1.28 CCCCCOCc1ccncn1 a0e43a3fd458478e4c347dbd3c17478d [0,1,0,1,0,0|2,0,0]=4 1179 B13R1.28 CCCCCOCc1cnccn1 e7d5bd56a3cee2e5eee88fda4f12e7c1 [0,1,0,1,0,0|2,0,0]=4 1180 B13R1.28 CCCCCOCc1ncccn1 a08f0393338b6b6657232697a783aba4 [0,1,0,1,0,0|2,0,0]=4 1181 B13R1.28 CCCCNCCc1ccccc1 0109fb426bf3ff59afa8f634257d80f2 [0,1,0,1,0,0|1,0,0]=3 1182 B13R1.28 CCCCNCCc1ccccn1 6fa0337fac491ba903a4185efc251d57 [0,1,0,1,0,0|1,0,0]=3 1183 B13R1.28 CCCCNCCc1cccnc1 458045a7155983806741ceffb93e3916 [0,1,0,1,0,0|2,0,0]=4 1184 B13R1.28 CCCCNCCc1ccncc1 7e2b41101486e3e923459c5f5e15840b [0,1,0,1,0,0|2,0,0]=4 1185 B13R1.28 CCCCNCCc1ccncn1 d5dfd0566fd4e4843d9502794cdada90 [0,1,0,1,0,0|2,0,0]=4 1186 B13R1.28 CCCCNCCc1cnccn1 ddd8e54013d023bc00bf95f3eb586105 [0,1,0,1,0,0|2,0,0]=4 1187 B13R1.28 CCCCNCCc1ncccn1 2070d5ddb809c29a5b6a046d521f637e [0,1,0,1,0,0|2,0,0]=4 1188 B13R1.28 CCCCOCCc1ccccc1 9579249358ed59a0332ebffafb432191 [0,1,0,1,0,0|1,0,0]=3 1189 B13R1.28 CCCCOCCc1ccccn1 f5bb843c066a5a457e856626fef0f0d8 [0,1,0,1,0,0|1,0,0]=3 1190 B13R1.28 CCCCOCCc1cccnc1 9ae2a1a7b876b5913444bc16d2e2b001 [0,1,0,1,0,0|2,0,0]=4 1191 B13R1.28 CCCCOCCc1ccncc1 fbfcf7d6d3394c78234724482a6fbd17 [0,1,0,1,0,0|2,0,0]=4 1192 B13R1.28 CCCCOCCc1ccncn1 17180b599ae1252c4f6fafeb5b1b444b [0,1,0,1,0,0|2,0,0]=4 1193 B13R1.28 CCCCOCCc1cnccn1 e2323fc4c0b3b6733bf22db19e588be2 [0,1,0,1,0,0|2,0,0]=4 1194 B13R1.28 CCCCOCCc1ncccn1 4d46c1d88b1740738842b5e1e49df0df [0,1,0,1,0,0|2,0,0]=4 1195 B13R1.28 CCCCOCNc1ccccc1 58afdac690557bc2f9492d390ebdd20f [0,1,0,1,0,0|2,0,0]=4 1196 B13R1.28 CCCCOCNc1ccccn1 1ab60e8e80e7c15fe273913a40d71db8 [0,1,0,1,0,0|2,0,0]=4 1197 B13R1.28 CCCCOCOc1ccccn1 9ff0cfe902ba813d8299b205adff7e2c [0,1,0,1,0,0|2,0,0]=4 1198 B13R1.28 CCCNCCCc1ccccc1 5f33b3d16423cf0638bca02ea5d6c817 [0,1,0,1,0,0|1,0,0]=3 1199 B13R1.28 CCCNCCCc1ccccn1 736f00498b1c57aa3c18030daf0a5e40 [0,1,0,1,0,0|1,0,0]=3 1200 B13R1.28 CCCNCCCc1cccnc1 b885d3263dc883c7f7cac13987aaa14f [0,1,0,1,0,0|2,0,0]=4 1201 B13R1.28 CCCNCCCc1ccncc1 33397f42f6725a82191f046015021356 [0,1,0,1,0,0|2,0,0]=4 1202 B13R1.28 CCCNCCOc1ccccc1 06184b73079e1278e398ef36adb88360 [0,1,0,1,0,0|2,0,0]=4 1203 B13R1.28 CCCNCCOc1ccccn1 ca069553132cbd69b9536450ab2d33b1 [0,1,0,1,0,0|2,0,0]=4 1204 B13R1.28 CCCOCCCC1=CCC=CC1 0e618e7d081ca3a205e1b9c0bc3c6605 [0,1,0,1,0,0|1,0,1]=4 1205 B13R1.28 CCCOCCCc1ccccc1 c076ca63eede7ffa17c8465c98023cf9 [0,1,0,1,0,0|1,0,0]=3 1206 B13R1.28 CCCOCCCc1ccccn1 d30f1210dbf9f0d178e907496ddfb5e2 [0,1,0,1,0,0|1,0,0]=3 1207 B13R1.28 CCCOCCCc1cccnc1 876197c7a9f77e0345c541594c748ea7 [0,1,0,1,0,0|2,0,0]=4 1208 B13R1.28 CCCOCCCc1ccncc1 2e28ea755e72a924d88c061f29c7cfd6 [0,1,0,1,0,0|2,0,0]=4 1209 B13R1.28 CCCOCCCc1cnccn1 c1ec608e9e41316750a426ba507708cc [0,1,0,1,0,0|2,0,0]=4 1210 B13R1.28 CCCOCCCc1ncccn1 365b4af2f70849a97de9bb69513fa002 [0,1,0,1,0,0|2,0,0]=4 1211 B13R1.28 CCCOCCNc1ccccc1 e211ec8e58646c8d8b6932bf2937cc35 [0,1,0,1,0,0|2,0,0]=4 1212 B13R1.28 CCCOCCNc1ccccn1 bf40e261dde7685f4d4792981807054a [0,1,0,1,0,0|2,0,0]=4 1213 B13R1.28 CCCOCCOc1ccccc1 3aa0f9a231fbc547c5dc537bd93c941d [0,1,0,1,0,0|2,0,0]=4 1214 B13R1.28 CCCOCCOc1ccccn1 40f7c903094682ce5283878321083496 [0,1,0,1,0,0|2,0,0]=4 1215 B13R1.28 CCCOCCSc1ccccc1 d76a87a5dbcc7f9ae05dc56de64b2364 [0,1,0,1,0,0|2,0,0]=4 1216 B13R1.28 CCCOCCSc1ccccn1 85da77bfd743b0a20da89ae4051cbd91 [0,1,0,1,0,0|2,0,0]=4 1217 B13R1.28 CCNCCCCc1ccccc1 0282fc60fa78241a55156a48d7ec01f1 [0,1,0,1,0,0|1,0,0]=3 1218 B13R1.28 CCNCCCCc1ccccn1 a832ea271b925377d62b0f3ab715dda6 [0,1,0,1,0,0|1,0,0]=3 1219 B13R1.28 CCNCCCOc1ccccc1 3727f99c3be5d27cfdb90b361ca95f52 [0,1,0,1,0,0|2,0,0]=4 1220 B13R1.28 CCNCCCOc1ccccn1 fee701232feda333b3ea6eda8f5f11e8 [0,1,0,1,0,0|2,0,0]=4 1221 B13R1.28 CCNCCOCc1ccccc1 1510815a698923cadc0f69cbfb039804 [0,1,0,1,0,0|2,0,0]=4 1222 B13R1.28 CCOCCCCc1ccccc1 ea19cd42cab00d72c00f828af735e7ef [0,1,0,1,0,0|1,0,0]=3 1223 B13R1.28 CCOCCCCc1ccccn1 1d7ef2095639622a555d547edbb08c51 [0,1,0,1,0,0|1,0,0]=3 1224 B13R1.28 CCOCCCCc1cccnc1 a48db43d8f249931cd3b475ffb705964 [0,1,0,1,0,0|2,0,0]=4 1225 B13R1.28 CCOCCCCc1ccncc1 82750c58451969018ab35a6bc44b00c3 [0,1,0,1,0,0|2,0,0]=4 1226 B13R1.28 CCOCCCCc1cnccn1 9343b0bac9cf38ded0f1b90ff66b5b3f [0,1,0,1,0,0|2,0,0]=4 1227 B13R1.28 CCOCCCNc1ccccc1 f7037d100465397bc9870a07e0a6460f [0,1,0,1,0,0|2,0,0]=4 1228 B13R1.28 CCOCCCNc1ccccn1 35fcb2fac00caa5df52c9467048b2560 [0,1,0,1,0,0|2,0,0]=4 1229 B13R1.28 CCOCCCOc1ccccc1 7326db3541a7a8308790a9d6ce5fbce1 [0,1,0,1,0,0|2,0,0]=4 1230 B13R1.28 CCOCCCOc1ccccn1 931dc237c0a912c518eb5fd3c773b292 [0,1,0,1,0,0|2,0,0]=4 1231 B13R1.28 CCOCCCSc1ccccc1 d995d954b5cf5746d4e00d02b32b007d [0,1,0,1,0,0|2,0,0]=4 1232 B13R1.28 CCOCCNCc1ccccc1 679ae42afd26804642891b83b0c87211 [0,1,0,1,0,0|2,0,0]=4 1233 B13R1.28 CCOCCNCc1ccccn1 ee1ffb8ae17272df677b09d3952e14de [0,1,0,1,0,0|2,0,0]=4 1234 B13R1.28 CCOCCOCc1ccccc1 0e4b7394449b597fb1689d77c822d1e4 [0,1,0,1,0,0|2,0,0]=4 1235 B13R1.28 CCOCCOCc1ccccn1 703848015482372a26f98e1a5b640b9c [0,1,0,1,0,0|2,0,0]=4 1236 B13R1.28 CCOCCSCc1ccccc1 e5377b926ac9dc03580517e6b92fbe54 [0,1,0,1,0,0|2,0,0]=4 1237 B13R1.28 CCOCNCCc1ccccc1 fd2bb8bab8f3f676911889def8b946c8 [0,1,0,1,0,0|2,0,0]=4 1238 B13R1.28 CCOCNCCc1ccccn1 e30a88aecb6e125052d05eb73bc24c53 [0,1,0,1,0,0|2,0,0]=4 1239 B13R1.28 CCOCOCCc1ccccc1 6e706ae95e9bd277c3e539c0a4db03a7 [0,1,0,1,0,0|2,0,0]=4 1240 B13R1.28 CCOCOCCc1ccccn1 1feefac32e70d59ed7ab5b860b8f8892 [0,1,0,1,0,0|2,0,0]=4 1241 B13R1.28 CCSCCCNc1ccccc1 e25c7841146cdbd831103e2ade51ae85 [0,1,0,1,0,0|2,0,0]=4 1242 B13R1.28 CCSCCCNc1ccccn1 979f3c6a2957ce79c94a975e320ace03 [0,1,0,1,0,0|2,0,0]=4 1243 B13R1.28 CCSCCCOc1ccccn1 63370f853bbb0a81f96d60257487f164 [0,1,0,1,0,0|2,0,0]=4 1244 B13R1.28 CCSCCNCc1ccccc1 a1e613372ea8e8dc6aebf316f19b1ac6 [0,1,0,1,0,0|2,0,0]=4 1245 B13R1.28 CCSCCNCc1ccccn1 2776904a9938ca6454e5995d67f9dd1c [0,1,0,1,0,0|2,0,0]=4 1246 B13R1.28 CCSCCOCc1ccccc1 892d64f9c9c2211c658e41916d24cd83 [0,1,0,1,0,0|2,0,0]=4 1247 B13R1.28 CCSCCOCc1ccccn1 f60f5598d670187e4d9f5579ffb0f24d [0,1,0,1,0,0|2,0,0]=4 1248 B13R1.28 COCCCCNc1ccccc1 2f5eb05f588d34eeb3c5f37bd21d4ce0 [0,1,0,1,0,0|2,0,0]=4 1249 B13R1.28 COCCCCNc1ccccn1 f9f7b2b059ced723a4b0cc5ed23b0c59 [0,1,0,1,0,0|2,0,0]=4 1250 B13R1.28 COCCCCOc1ccccn1 91b5ce385a16d933bbf8a8d408ded633 [0,1,0,1,0,0|2,0,0]=4 1251 B13R1.28 COCCCNCc1ccccc1 9d34ba6aabe9a19d73aceea3611c03cc [0,1,0,1,0,0|2,0,0]=4 1252 B13R1.28 COCCCNCc1ccccn1 a7adab1c153b0a66bfdba326b7beb6d2 [0,1,0,1,0,0|2,0,0]=4 1253 B13R1.28 COCCCOCc1ccccc1 b2314cc7e18905a9d78f5fb2c3c5bf45 [0,1,0,1,0,0|2,0,0]=4 1254 B13R1.28 COCCCOCc1ccccn1 7dca33af7e30bea032471dfb3a1d450b [0,1,0,1,0,0|2,0,0]=4 1255 B13R1.28 COCCNCCc1ccccc1 61123cdd1ab457a4a47f92c1a737f6db [0,1,0,1,0,0|2,0,0]=4 1256 B13R1.28 COCCNCCc1ccccn1 e471ba0a0ad542968e72d36be76605b8 [0,1,0,1,0,0|2,0,0]=4 1257 B13R1.28 COCCOCCc1ccccc1 ff280801e717a5a4b5f2fea2891e4059 [0,1,0,1,0,0|2,0,0]=4 1258 B13R1.28 COCCOCCc1ccccn1 a1bfd613a1a5250ef9f05ea3f6721929 [0,1,0,1,0,0|2,0,0]=4 1259 B13R1.28 COCNCCCc1ccccc1 ade12b517817d3289e0d4254cb033ebb [0,1,0,1,0,0|2,0,0]=4 1260 B13R1.28 COCNCCCc1ccccn1 20f08a827a27bf30079bd17f9c93164b [0,1,0,1,0,0|2,0,0]=4 1261 B13R1.28 COCOCCCc1ccccc1 a22528d75a60855a8d4db005a26cbe47 [0,1,0,1,0,0|2,0,0]=4 1262 B13R1.28 COCOCCCc1ccccn1 4ac076232a6426ffc8b45e2438fa90a3 [0,1,0,1,0,0|2,0,0]=4 1263 B13R1.28 CSCCCCNc1ccccc1 4bc5adb305c61106204d8292741c71b4 [0,1,0,1,0,0|2,0,0]=4 1264 B13R1.28 CSCCCNCc1ccccc1 42c45603daaf10a256a8dfddb403a13b [0,1,0,1,0,0|2,0,0]=4 1265 B13R1.28 CSCCCNCc1ccccn1 a113f57e7bd92e73d33549501c30d8fc [0,1,0,1,0,0|2,0,0]=4 1266 B13R1.28 CSCCCOCc1ccccc1 141cb52f7ea1e2af27ad5c61b4835846 [0,1,0,1,0,0|2,0,0]=4 1267 B13R1.28 CSCCCOCc1ccccn1 7fce8632450d1d558cef39487394b3d9 [0,1,0,1,0,0|2,0,0]=4 1268 B13R1.28 CSCCNCCc1ccccc1 50681d35aa3eb6d4193e75f1dabcea2b [0,1,0,1,0,0|2,0,0]=4 1269 B13R1.28 CSCCNCCc1ccccn1 8ecd32cc6d00ec34f8354a78b2f3c7ab [0,1,0,1,0,0|2,0,0]=4 1270 B13R1.28 CSCCOCCc1ccccc1 a603d09f08b3e7c6ef1792818cc41cff [0,1,0,1,0,0|2,0,0]=4 1271 B13R1.28 CSCCOCCc1ccccn1 1856fb47a23823a5e409af168293c7a7 [0,1,0,1,0,0|2,0,0]=4 1272 B13R1.28 CSCNCCCc1ccccc1 2cff81f377e2a84a76e69ccc0d1723a1 [0,1,0,1,0,0|2,0,0]=4 1273 B13R1.28 CSCNCCCc1ccccn1 5f1d8ce2e890983b9d5825f447b6d31a [0,1,0,1,0,0|2,0,0]=4 1274 B13R1.28 CSCOCCCc1ccccc1 ba698fac1957235500dbde7fa95ab254 [0,1,0,1,0,0|2,0,0]=4 1275 B13R1.28 CSCOCCCc1ccccn1 0406ca65bcd13f2617aa5954f6a7d717 [0,1,0,1,0,0|2,0,0]=4 1276 B13R1.28 ClCCCCCNc1ccccc1 c6ecde0e555ff6a799ee38d2f2708233 [0,1,0,1,0,0|2,0,0]=4 1277 B13R1.28 ClCCCCCNc1ccccn1 9c0f8116dd49429d3c52c50a5fad3a0b [0,1,0,1,0,0|2,0,0]=4 1278 B13R1.28 ClCCCCNCc1ccccc1 90736244ca15d92fd3a3077d1e2fc997 [0,1,0,1,0,0|2,0,0]=4 1279 B13R1.28 ClCCCCNCc1ccccn1 dbb7fc83a19e23eee6c5a8ff4ef354fc [0,1,0,1,0,0|2,0,0]=4 1280 B13R1.28 ClCCCNCCc1ccccc1 349b7a4cba969454c0cc0360422f4783 [0,1,0,1,0,0|2,0,0]=4 1281 B13R1.28 ClCCCNCCc1ccccn1 992a1675a2be4244f661d85cbb3c8d00 [0,1,0,1,0,0|2,0,0]=4 1282 B13R1.28 FCCCCCNc1ccccc1 6979ef07ec2626a2af5f14792eff3d71 [0,1,0,1,0,0|2,0,0]=4 1283 B13R1.28 FCCCCCNc1ccccn1 7eacc34bab7e6fa1dfc3091509a299ff [0,1,0,1,0,0|2,0,0]=4 1284 B13R1.28 FCCCCCOc1ccccn1 cdb1caa92cec0e1074012f8dc023f156 [0,1,0,1,0,0|2,0,0]=4 1285 B13R1.28 FCCCCNCc1ccccc1 2404d7f858c2dcfc451d2fb270137d5a [0,1,0,1,0,0|2,0,0]=4 1286 B13R1.28 FCCCCNCc1ccccn1 90cee0a65ed5c7e5d9c8baa658c95f27 [0,1,0,1,0,0|2,0,0]=4 1287 B13R1.28 FCCCCOCc1ccccc1 d0a25bd9ee98a1642a8c47d86db8d7c1 [0,1,0,1,0,0|2,0,0]=4 1288 B13R1.28 FCCCCOCc1ccccn1 42ef20a328ea5d0bfb79314a87aa5c6a [0,1,0,1,0,0|2,0,0]=4 1289 B13R1.28 FCCCNCCc1ccccc1 95a7ed67182daebf812f6a52f4983814 [0,1,0,1,0,0|2,0,0]=4 1290 B13R1.28 FCCCNCCc1ccccn1 89a34315068f25b48a9ba4774efcb912 [0,1,0,1,0,0|2,0,0]=4 1291 B13R1.28 FCCCOCCc1ccccc1 310cdeaa04912c9fbd1c7026a24a1ed3 [0,1,0,1,0,0|2,0,0]=4 1292 B13R1.28 FCCCOCCc1ccccn1 63c38b7fa49e0042f290b951ab1150f8 [0,1,0,1,0,0|2,0,0]=4 1293 B13R1.28 FCCNCCCc1ccccc1 cff9ec332e4565e00203c9a9218e7809 [0,1,0,1,0,0|2,0,0]=4 1294 B13R1.28 FCCNCCCc1ccccn1 cbb3658da293145ea40608ae59fd5adb [0,1,0,1,0,0|2,0,0]=4 1295 B13R1.28 FCCOCCCc1ccccc1 e0925e41f379218fdb14d92265c58675 [0,1,0,1,0,0|2,0,0]=4 1296 B13R1.28 FCCOCCCc1ccccn1 a420db69b7fbacc37fcb39cee3f88152 [0,1,0,1,0,0|2,0,0]=4 1297 B13R1.28 FCNCCCCc1ccccc1 af3ebd28c32ad52bcc3e60f29b4be4f2 [0,1,0,1,0,0|2,0,0]=4 1298 B13R1.28 FCNCCCCc1ccccn1 698e01ebf4f7a3f933c7d54b821834ea [0,1,0,1,0,0|2,0,0]=4 1299 B13R1.28 FCOCCCCc1ccccc1 df6e675bd5eae946e4592c9bdf607243 [0,1,0,1,0,0|2,0,0]=4 1300 B13R1.28 FCOCCCCc1ccccn1 4244a54439be7c5c276e6ea4891e02fe [0,1,0,1,0,0|2,0,0]=4 1301 B13R1.28 ICCNCCCc1ccccc1 aafcc01c32a54fc3702818c8c022424b [0,1,0,1,0,0|2,0,0]=4 1302 B13R1.28 ICCNCCCc1ccccn1 b45ad4d7cdf3b8a4740200a9f3aed2b6 [0,1,0,1,0,0|2,0,0]=4 1303 B13R1.28 O=C/C=C/COCC1CCCCC1 29aa9f5860ea3879c857944e97444103 [0,1,0,1,0,0|0,0,2]=4 1304 B13R1.28 O=C/C=C/COCC1CCCCO1 389c6b9006edc6bd22290e03ccaa2f9b [0,1,0,1,0,0|1,0,1]=4 1305 B13R1.28 O=C/C=C/COCC1CCCOC1 6fab66b1dfc9c013dc936a18082d4c50 [0,1,0,1,0,0|1,0,1]=4 1306 B13R1.28 O=C/C=C/COCC1CCOCC1 3b8aa8bd3dd417436928e51980aec022 [0,1,0,1,0,0|1,0,1]=4 1307 B13R1.28 O=C/C=C/COCC1CCSCC1 47d229729bb12af4928ca6b834cf922f [0,1,0,1,0,0|1,0,1]=4 1308 B13R1.28 OCCCCCNc1ccccc1 3703e8864ede01d8d44cbde375640e29 [0,1,0,1,0,0|2,0,0]=4 1309 B13R1.28 OCCCCCNc1ccccn1 7a2be6b5b37665951b2d5bb288e4c41d [0,1,0,1,0,0|2,0,0]=4 1310 B13R1.28 OCCCCNCc1ccccc1 143d3ff2bf83c896b064451a6b089da1 [0,1,0,1,0,0|2,0,0]=4 1311 B13R1.28 OCCCCNCc1ccccn1 030991a2a9710fc4ba8269c52394602f [0,1,0,1,0,0|2,0,0]=4 1312 B13R1.28 OCCCNCCc1ccccc1 31cc75da7677f29e22dc021b342942ec [0,1,0,1,0,0|2,0,0]=4 1313 B13R1.28 OCCCNCCc1ccccn1 32eb74507c7af0d621f6f4c1963e12c8 [0,1,0,1,0,0|2,0,0]=4 1314 B13R1.28 OCCNCCCc1ccccc1 b484b7c2a241b78497c4056d5d03ad31 [0,1,0,1,0,0|2,0,0]=4 1315 B13R1.28 OCCNCCCc1ccccn1 15478510cb8674a6e25b8d3568b55f2f [0,1,0,1,0,0|2,0,0]=4 1316 B13R1.28 OCNCCCCc1ccccc1 0dca3c0bea3432493cecd16e9c5bf401 [0,1,0,1,0,0|2,0,0]=4 1317 B13R1.28 OCNCCCCc1ccccn1 a9131d686e46f52e2529868147a221ef [0,1,0,1,0,0|2,0,0]=4 1318 B13R1.28 SCCCCNCc1ccccc1 3b08a730b1c5c3ee9d4cac0b6dee7102 [0,1,0,1,0,0|2,0,0]=4 1319 B13R1.28 SCCCCNCc1ccccn1 fd031e30071d9be246f5baa91a720ce5 [0,1,0,1,0,0|2,0,0]=4 1320 B13R1.28 SCCCCOCc1ccccc1 c54a16ae6a3454def5d9cd9a56f5dc07 [0,1,0,1,0,0|2,0,0]=4 1321 B13R1.28 SCCCCOCc1ccccn1 d0c1bb820fbe7922bf03ace6a0e96da6 [0,1,0,1,0,0|2,0,0]=4 1322 B13R1.28 SCCCNCCc1ccccc1 c7daf13b73faf2c7a326ea218e199d72 [0,1,0,1,0,0|2,0,0]=4 1323 B13R1.28 SCCCNCCc1ccccn1 e3dd9c74cf8c445fa6a7e2994eaecfc4 [0,1,0,1,0,0|2,0,0]=4 1324 B13R1.28 SCCCOCCc1ccccc1 de0b15ea71e4523c7421e65f8c83011e [0,1,0,1,0,0|2,0,0]=4 1325 B13R1.28 SCCCOCCc1ccccn1 8294d44d3ee2bf3ad1261a87165cc40d [0,1,0,1,0,0|2,0,0]=4 1326 B13R1.28 SCCNCCCc1ccccc1 40e4bad6b5404abcc1bcb0662613e4ff [0,1,0,1,0,0|2,0,0]=4 1327 B13R1.28 SCCNCCCc1ccccn1 5951e9622784d314b84431bf8dca4b93 [0,1,0,1,0,0|2,0,0]=4 1328 B13R1.28 SCCOCCCc1ccccc1 f7d853836bc2b5e33361009dc66072ec [0,1,0,1,0,0|2,0,0]=4 1329 B13R1.28 SCCOCCCc1ccccn1 35e0b89265ee2da2abea732d433d6a44 [0,1,0,1,0,0|2,0,0]=4 1330 B13R1.34 CCCCNc1cccccc1=O c3d0162233aff8b5143be9918d7b08f4 [0,1,0,1,0,0|0,0,2]=4 1331 B13R1.34 CCCCOc1cccccc1=O d3e8b081ca78939a2f4372df527ca28b [0,1,0,1,0,0|0,0,2]=4 1332 B13R1.84 CCCCNc1ccccc1C=O f64d572dcfdb32b666e636e87c017be7 [0,1,0,1,0,0|0,0,2]=4 1333 B13R1.84 CCCCNc1cccnc1C=O 0745d8a3358b0ae2242f887fad255564 [0,1,0,1,0,0|1,0,1]=4 1334 B13R1.84 CCCCNc1ccncc1C=O 4663840a812712b58f4f45a0851fe4af [0,1,0,1,0,0|1,0,1]=4 1335 B13R1.84 CCCCNc1cnccc1C=O a5e26aa06122f63b96c7748f28bd8bb1 [0,1,0,1,0,0|1,0,1]=4 1336 B13R1.84 CCCCNc1ncccc1C=O 1a9c0f481d164e359c2ea022fce440ee [0,1,0,1,0,0|1,0,1]=4 1337 B13R1.84 CCCCOc1ccccc1C=O b7f9ed60c3982a9f54914b0ba0a5e7db [0,1,0,1,0,0|0,0,2]=4 1338 B13R1.84 CCCCOc1cccnc1C=O 53d8649dc962c90c50e78af4e27f0fac [0,1,0,1,0,0|1,0,1]=4 1339 B13R1.84 CCCCOc1ccncc1C=O ca0e4edb20ba759e474d0421716332ef [0,1,0,1,0,0|1,0,1]=4 1340 B13R1.84 CCCCOc1cnccc1C=O 0c03ec06b90269e0e4b2b4368a779367 [0,1,0,1,0,0|1,0,1]=4 1341 B13R1.84 CCCNCc1ccccc1C=O 15059cbb8b73c1bae74cdf8e4873b58e [0,1,0,1,0,0|0,0,2]=4 1342 B13R1.84 CCCOCc1ccccc1C=O e039f4214ca37aec78248bcf926085fd [0,1,0,1,0,0|0,0,2]=4 1343 B13R1.137 CCCCCNc1[nH]cnc1C=O 593df185af693258bbf237e7c4c934c3 [0,1,0,1,0,0|2,0,0]=4 1344 B13R1.137 CCCCCNc1cc[nH]c1C=O f8320dfd3c3ea376bda850709099f958 [0,1,0,1,0,0|1,0,0]=3 1345 B13R1.137 CCCCCNc1ccoc1C=O 3c01b98508b245bf61e6bb3567c6b04e [0,1,0,1,0,0|1,0,0]=3 1346 B13R1.137 CCCCCNc1ccsc1C=O d79cc99f43c081231139f3237219343f [0,1,0,1,0,0|1,0,0]=3 1347 B13R1.137 CCCCCNc1cn[nH]c1C=O 70a36c8b7d1095f50a339a1bb2636bd5 [0,1,0,1,0,0|2,0,0]=4 1348 B13R1.137 CCCCCNc1cnsc1C=O fe412668cd0cdb9d01334f09f43b44a9 [0,1,0,1,0,0|2,0,0]=4 1349 B13R1.137 CCCCCNc1cocc1C=O 49ea3535dcfb0ee8ec7efa71a3c9fab0 [0,1,0,1,0,0|1,0,0]=3 1350 B13R1.137 CCCCCNc1sccc1C=O 13e90caa499ff43d6efea6dc2e6b63ef [0,1,0,1,0,0|1,0,0]=3 1351 B13R1.137 CCCCCNc1scnc1C=O f8277801ef7d13b9cc9c8cfbd19c194f [0,1,0,1,0,0|2,0,0]=4 1352 B13R1.137 CCOCCNc1cc[nH]c1C=O 73666aa4b0e7e9e3cdc6f931506a2850 [0,1,0,1,0,0|2,0,0]=4 1353 B13R1.137 CCOCCNc1ccoc1C=O 0083949e1ced8e6dd9cee75182af9d6c [0,1,0,1,0,0|2,0,0]=4 1354 B13R1.137 CCOCCNc1ccsc1C=O 4c92099aa78af26e8cac02a06614d3a0 [0,1,0,1,0,0|2,0,0]=4 1355 B13R1.137 CCOCCNc1cocc1C=O c5c4b89737b7877738b6e4563403e617 [0,1,0,1,0,0|2,0,0]=4 1356 B13R1.137 CCOCCNc1sccc1C=O 5b6defd9f9974a06ed10916f4cf3ba9b [0,1,0,1,0,0|2,0,0]=4 1357 B13R1.137 CCSCCNc1cc[nH]c1C=O 1ef1adc45d14e9359738f770a817a3a5 [0,1,0,1,0,0|2,0,0]=4 1358 B13R1.137 CCSCCNc1ccoc1C=O 229cbf98bfbcfab4a9981ad539445b08 [0,1,0,1,0,0|2,0,0]=4 1359 B13R1.137 CCSCCNc1ccsc1C=O 47b2644b42c446d3210d6a1f8bc21506 [0,1,0,1,0,0|2,0,0]=4 1360 B13R1.137 CCSCCNc1cocc1C=O 8444b74b67a8dfbed25438cf5484bc62 [0,1,0,1,0,0|2,0,0]=4 1361 B13R1.137 COCCCNc1cc[nH]c1C=O 1cecdd72bc305f8f76d8553321525b0a [0,1,0,1,0,0|2,0,0]=4 1362 B13R1.137 COCCCNc1ccoc1C=O 3cf83692b1c002d56735447466434a14 [0,1,0,1,0,0|2,0,0]=4 1363 B13R1.137 COCCCNc1ccsc1C=O 867a97bd856e9ee72e57be9a081fb130 [0,1,0,1,0,0|2,0,0]=4 1364 B13R1.137 COCCCNc1cocc1C=O cc3c4c55f15182350dbeac53bf05dc44 [0,1,0,1,0,0|2,0,0]=4 1365 B13R1.137 COCCCNc1sccc1C=O 2a484c5880ad3993f8044bc32162532d [0,1,0,1,0,0|2,0,0]=4 1366 B13R1.137 CSCCCNc1cc[nH]c1C=O c1ac61e4eee38eab58c67341ea85afa0 [0,1,0,1,0,0|2,0,0]=4 1367 B13R1.137 CSCCCNc1ccoc1C=O bfbc0d4010b56e4344c79e7437ecead2 [0,1,0,1,0,0|2,0,0]=4 1368 B13R1.137 CSCCCNc1ccsc1C=O 4abce0fc976747b06fdc5c9121040cc2 [0,1,0,1,0,0|2,0,0]=4 1369 B13R1.137 CSCCCNc1cocc1C=O 8848388261196f252c8d4c7c3aedc4a8 [0,1,0,1,0,0|2,0,0]=4 1370 B13R1.137 CSCCCNc1sccc1C=O 4ed791082d11f62293ceb3857ae33958 [0,1,0,1,0,0|2,0,0]=4 1371 B13R1.137 O=Cc1[nH]ccc1NCCCCCl 730a627f8c778621d7a1b468f3a07c1d [0,1,0,1,0,0|2,0,0]=4 1372 B13R1.137 O=Cc1[nH]ccc1NCCCCO e45712552fc770a6a05081dca90b36f6 [0,1,0,1,0,0|2,0,0]=4 1373 B13R1.137 O=Cc1[nH]ccc1NCCCCS 4ae4888277b2b83cbae5f3a089ce3b36 [0,1,0,1,0,0|2,0,0]=4 1374 B13R1.137 O=Cc1ccsc1NCCCCCl b80777a67d52647d885902a0a04b26fd [0,1,0,1,0,0|2,0,0]=4 1375 B13R1.137 O=Cc1ccsc1NCCCCO a41e49be26f32d5034ffb59a08d4471a [0,1,0,1,0,0|2,0,0]=4 1376 B13R1.137 O=Cc1ccsc1NCCCCS 5d17f20de094a15bcf3753648cecd309 [0,1,0,1,0,0|2,0,0]=4 1377 B13R1.137 O=Cc1cocc1NCCCCCl 023d21edb087d37303c7f381e35673e7 [0,1,0,1,0,0|2,0,0]=4 1378 B13R1.137 O=Cc1cocc1NCCCCO 37677b0b7cabc7521875a267233b0fce [0,1,0,1,0,0|2,0,0]=4 1379 B13R1.137 O=Cc1cocc1NCCCCS b8d9d282fb4c0fa136a58b81af2aaa21 [0,1,0,1,0,0|2,0,0]=4 1380 B13R1.137 O=Cc1cscc1NCCCCCl 81172b653af328bfb4c79232394b3fe9 [0,1,0,1,0,0|2,0,0]=4 1381 B13R1.137 O=Cc1cscc1NCCCCO d71193fd2a71680d95e2eb5284a51505 [0,1,0,1,0,0|2,0,0]=4 1382 B13R1.137 O=Cc1occc1NCCCCCl 02731d62c775ef7301bc48e149b1c6e7 [0,1,0,1,0,0|2,0,0]=4 1383 B13R1.137 O=Cc1occc1NCCCCO 1a8d384286df146bd71395a2919cc4b1 [0,1,0,1,0,0|2,0,0]=4 1384 B13R1.137 O=Cc1occc1NCCCCS 6b969603fd577270cb6aabbf6738eb7a [0,1,0,1,0,0|2,0,0]=4 1385 B13R1.137 O=Cc1sccc1NCCCCCl aee5327ca684da6bbdc55499b68abc84 [0,1,0,1,0,0|2,0,0]=4 1386 B13R1.137 O=Cc1sccc1NCCCCF 5873d8891947af779d329dbc5d42c47f [0,1,0,1,0,0|2,0,0]=4 1387 B13R1.137 O=Cc1sccc1NCCCCO 7d42d27e8dcb8d7b113a06b4bfadecfb [0,1,0,1,0,0|2,0,0]=4 1388 B13R1.137 O=Cc1sccc1NCCCCS a52c22c1b497f1adf8704ff9c7c326af [0,1,0,1,0,0|2,0,0]=4 1389 B13R1.485 CCCCc1ccccc1NC=O 8e4f4598fce0278b397f3b35604f24d0 [0,1,0,1,0,0|0,0,2]=4 1390 B13R1.555 CCCCCNc1c[nH]ccc1=O 1c4c4c61483308ca26f2cc17b5c71a4b [0,1,0,1,0,0|1,0,0]=3 1391 B13R1.555 CCCCCNc1c[nH]ccc1=S 3ee19d13c91922023efd017a0114a63f [0,1,0,1,0,0|1,1,0]=4 1392 B13R1.555 CCCCCNc1c[nH]cnc1=O 516bddae86e7906d25b27656d9253bc4 [0,1,0,1,0,0|2,0,0]=4 1393 B13R1.555 CCCCCNc1ccc[nH]c1=O 465530c09c8cbd1b2cda1bb180dc7ba4 [0,1,0,1,0,0|1,0,0]=3 1394 B13R1.555 CCCCCNc1ccc[nH]c1=S 406dced48f142ebd3592279b36049e27 [0,1,0,1,0,0|1,1,0]=4 1395 B13R1.555 CCCCCNc1cccc[n+]1[O-] 1b93a060f4c96a0cd52039efa6c49cc1 [0,1,0,1,0,0|1,0,1]=4 1396 B13R1.555 CCCCCNc1ccccc1C ab4835f51f692b3730bc2c003aee2153 [0,1,0,1,0,0|1,0,1]=4 1397 B13R1.555 CCCCCNc1ccccc1Cl d23708f1a191f2441a32e38251f23567 [0,1,0,1,0,0|1,0,1]=4 1398 B13R1.555 CCCCCNc1ccccc1F ed949f1b872336a9d69d256808e24638 [0,1,0,1,0,0|1,0,1]=4 1399 B13R1.555 CCCCCNc1ccccc1I 0676661191108ae04708395171cff709 [0,1,0,1,0,0|1,0,1]=4 1400 B13R1.555 CCCCCNc1ccccc1S 1d469c01892a6b422b73f1375c3e54c0 [0,1,0,1,0,0|0,1,1]=4 1401 B13R1.555 CCCCCNc1cccnc1Br 509df81ac44d5fbc2c5e8541be9d2c5a [0,1,0,1,0,0|2,0,0]=4 1402 B13R1.555 CCCCCNc1cccnc1C 7e9714561ecbb4cc98f06b9a50023df6 [0,1,0,1,0,0|2,0,0]=4 1403 B13R1.555 CCCCCNc1cccnc1Cl 5f18472a7e013acc2668de2be5181844 [0,1,0,1,0,0|2,0,0]=4 1404 B13R1.555 CCCCCNc1cccnc1F 93b7b408823a7543e90fa89b266419d6 [0,1,0,1,0,0|2,0,0]=4 1405 B13R1.555 CCCCCNc1cccnc1I 5a3ee5469e7168978cf8df99033aae44 [0,1,0,1,0,0|2,0,0]=4 1406 B13R1.555 CCCCCNc1cccoc1=O 09f3035f32d809ef15e4beb27f4eb0cf [0,1,0,1,0,0|1,0,0]=3 1407 B13R1.555 CCCCCNc1ccn[nH]c1=O 7f9715657e1abac9ba621cfc7f20c498 [0,1,0,1,0,0|2,0,0]=4 1408 B13R1.555 CCCCCNc1ccncc1Br 61e4a601f8c146c6f85e654ebcebaef2 [0,1,0,1,0,0|2,0,0]=4 1409 B13R1.555 CCCCCNc1ccncc1C d2aeed68fad90692376005de31b30dd7 [0,1,0,1,0,0|2,0,0]=4 1410 B13R1.555 CCCCCNc1ccncc1Cl 9169bde8faac9c86118e3aa39b2545aa [0,1,0,1,0,0|2,0,0]=4 1411 B13R1.555 CCCCCNc1ccncc1F 34756a106cb9b661f73df72992a184fa [0,1,0,1,0,0|2,0,0]=4 1412 B13R1.555 CCCCCNc1ccncc1I 22ceca66cf549792135535ee40f057df [0,1,0,1,0,0|2,0,0]=4 1413 B13R1.555 CCCCCNc1cnccc1C 0b229142626ba418145d0614441956a0 [0,1,0,1,0,0|2,0,0]=4 1414 B13R1.555 CCCCCNc1cnccc1Cl 5e4bc8c720c94f8865e9f6ba55ab507e [0,1,0,1,0,0|2,0,0]=4 1415 B13R1.555 CCCCCNc1cnccc1F 19588401039401e9c475d219105a2a63 [0,1,0,1,0,0|2,0,0]=4 1416 B13R1.555 CCCCCNc1cnccc1I 6f0bd5df2e4b884a988fc58733483446 [0,1,0,1,0,0|2,0,0]=4 1417 B13R1.555 CCCCCNc1ncc[nH]c1=O 6b08974e72502fc4e35c0c3ce1a325bc [0,1,0,1,0,0|2,0,0]=4 1418 B13R1.555 CCCCCNc1ncccc1Br 2195bd131e9e37602b4651044de21cc5 [0,1,0,1,0,0|2,0,0]=4 1419 B13R1.555 CCCCCNc1ncccc1C 7be82a6b1733855d779fb449c5479318 [0,1,0,1,0,0|2,0,0]=4 1420 B13R1.555 CCCCCNc1ncccc1Cl c914ccbb5f0a4e54a66adf9ee5b69c59 [0,1,0,1,0,0|2,0,0]=4 1421 B13R1.555 CCCCCNc1ncccc1F 371319aa64e0aa9d11aee91513ad948a [0,1,0,1,0,0|2,0,0]=4 1422 B13R1.555 CCCCCNc1ncccc1I 50aef067bd2fd597fc84de4d1bdfd7d6 [0,1,0,1,0,0|2,0,0]=4 1423 B13R1.555 CCCCCOc1c[nH]cnc1=O 553ce2c2eec0a7a70420fe154f22f36a [0,1,0,1,0,0|2,0,0]=4 1424 B13R1.555 CCCCCOc1ccc[nH]c1=S 22e4201c47469e79668edcc72e2f9c99 [0,1,0,1,0,0|1,1,0]=4 1425 B13R1.555 CCCCCOc1cccc[n+]1[O-] ea0ecb054163ace37802954bd7e4894f [0,1,0,1,0,0|1,0,1]=4 1426 B13R1.555 CCCCCOc1ccccc1C d10e9bf4d6a05afdf74ab561ace7b267 [0,1,0,1,0,0|1,0,1]=4 1427 B13R1.555 CCCCCOc1ccccc1Cl 6b8f308ceb3c6a85d034fc02b9385b40 [0,1,0,1,0,0|1,0,1]=4 1428 B13R1.555 CCCCCOc1ccccc1F 430a0356e2c7bd2638575aee03b58ed0 [0,1,0,1,0,0|1,0,1]=4 1429 B13R1.555 CCCCCOc1ccccc1I 2811b2011d4939101b1d3f090fdd35b3 [0,1,0,1,0,0|1,0,1]=4 1430 B13R1.555 CCCCCOc1cccnc1Br 0c5eb819bf3d48d0374520acd42aa6f5 [0,1,0,1,0,0|2,0,0]=4 1431 B13R1.555 CCCCCOc1cccnc1C 74711cdc14c779a983bc9292c6df9649 [0,1,0,1,0,0|2,0,0]=4 1432 B13R1.555 CCCCCOc1cccnc1Cl 4625652376fc093a999a07d283063e39 [0,1,0,1,0,0|2,0,0]=4 1433 B13R1.555 CCCCCOc1cccnc1F 07b99b9476f26ab9210e537fd8395665 [0,1,0,1,0,0|2,0,0]=4 1434 B13R1.555 CCCCCOc1cccnc1I a1951524f31ef00c32bd1286561b944a [0,1,0,1,0,0|2,0,0]=4 1435 B13R1.555 CCCCCOc1cccoc1=O 70f43d4045e70f103dda7abc557a610d [0,1,0,1,0,0|1,0,0]=3 1436 B13R1.555 CCCCCOc1ccncc1Br 156760739cf442d156134afea9ecb7ff [0,1,0,1,0,0|2,0,0]=4 1437 B13R1.555 CCCCCOc1ccncc1C c722b6491efb129d4981130186093856 [0,1,0,1,0,0|2,0,0]=4 1438 B13R1.555 CCCCCOc1ccncc1Cl d3246ce7c7073b44ae389afe7044258d [0,1,0,1,0,0|2,0,0]=4 1439 B13R1.555 CCCCCOc1ccncc1F 0c894b3f50fb8d5333ddda57b171aa57 [0,1,0,1,0,0|2,0,0]=4 1440 B13R1.555 CCCCCOc1cnccc1Br 87001e0621ea68df2c0bec8f6e9ae20a [0,1,0,1,0,0|2,0,0]=4 1441 B13R1.555 CCCCCOc1cnccc1C 95edd438a0752e1cad9ed57a57b315ac [0,1,0,1,0,0|2,0,0]=4 1442 B13R1.555 CCCCCOc1cnccc1Cl ac25429c99af375aa703ee44f275bb98 [0,1,0,1,0,0|2,0,0]=4 1443 B13R1.555 CCCCCOc1cnccc1F 1ca3c80c3b96b0eab98fa034aef45795 [0,1,0,1,0,0|2,0,0]=4 1444 B13R1.555 CCCCCOc1cnccc1I 327908fb05bf8a2ae75dcfddc8778c92 [0,1,0,1,0,0|2,0,0]=4 1445 B13R1.555 CCCCCOc1coccc1=O 71fb65b91e5361532db665511af29ea3 [0,1,0,1,0,0|1,0,0]=3 1446 B13R1.555 CCCCCOc1ncccc1Br ef0008f9cea32d2bd298347c701da7d3 [0,1,0,1,0,0|2,0,0]=4 1447 B13R1.555 CCCCCOc1ncccc1C c475e817f5cd90362dbfbaf862a59273 [0,1,0,1,0,0|2,0,0]=4 1448 B13R1.555 CCCCCOc1ncccc1Cl 0ea934b86ce7023c7d5f78fea4f58f18 [0,1,0,1,0,0|2,0,0]=4 1449 B13R1.555 CCCCCOc1ncccc1F cc1437c237f7881ea29492c0d0aefabd [0,1,0,1,0,0|2,0,0]=4 1450 B13R1.555 CCCCCOn1ccccc1=N 33735ac5c89f153fa59b47e483636311 [0,1,0,1,0,0|2,0,0]=4 1451 B13R1.555 CCCCCOn1ccccc1=O 4158b3ae2d301f5e36936e3333a47641 [0,1,0,1,0,0|1,0,0]=3 1452 B13R1.555 CCCCCOn1ccccc1=S 61393bdc699ddb116c12fded36d4e2bb [0,1,0,1,0,0|1,1,0]=4 1453 B13R1.555 CCCCNCc1cccc[n+]1[O-] d078c073bfa542fc8e6b53cb49e7e74a [0,1,0,1,0,0|1,0,1]=4 1454 B13R1.555 CCCCNCc1ccccc1Br 7cfb7544ec34a6c1dd18094b044273c8 [0,1,0,1,0,0|1,0,1]=4 1455 B13R1.555 CCCCNCc1ccccc1C ab29fbe7c58a67b5ca8373e373d5a8c0 [0,1,0,1,0,0|1,0,1]=4 1456 B13R1.555 CCCCNCc1ccccc1Cl 8adbed7a6527e2a81d1fc8833042b51d [0,1,0,1,0,0|1,0,1]=4 1457 B13R1.555 CCCCNCc1ccccc1F 4d3358a1d1188411dd3cd474125ed73a [0,1,0,1,0,0|1,0,1]=4 1458 B13R1.555 CCCCNCc1ccccc1I 78ddcc259f86c6ba0bf4036e82f5cf35 [0,1,0,1,0,0|1,0,1]=4 1459 B13R1.555 CCCCNCc1cccnc1Br 3ba782acd22e7c0892f1b2352ea8ff61 [0,1,0,1,0,0|2,0,0]=4 1460 B13R1.555 CCCCNCc1cccnc1C 631b6864bf6c05e5c6f2faf30ccc06cf [0,1,0,1,0,0|2,0,0]=4 1461 B13R1.555 CCCCNCc1cccnc1Cl 2967769c4770ac8dea993d81b4ad2b56 [0,1,0,1,0,0|2,0,0]=4 1462 B13R1.555 CCCCNCc1cccnc1F 74ad2280e7f3f497ff7ecff8b795bdb0 [0,1,0,1,0,0|2,0,0]=4 1463 B13R1.555 CCCCNCc1ccncc1Br 587e70f85e78692c610dee8513df917d [0,1,0,1,0,0|2,0,0]=4 1464 B13R1.555 CCCCNCc1ccncc1C 3e575a51b40160b35882c764c92d53d0 [0,1,0,1,0,0|2,0,0]=4 1465 B13R1.555 CCCCNCc1ccncc1Cl 112a5f2bbaed4151c753f89acd13ad86 [0,1,0,1,0,0|2,0,0]=4 1466 B13R1.555 CCCCNCc1ccncc1F 3d93ea820c0104e128311a0bd4a92433 [0,1,0,1,0,0|2,0,0]=4 1467 B13R1.555 CCCCNCc1cnccc1C 9d187c23b78b2fc39e81689a5d30fc28 [0,1,0,1,0,0|2,0,0]=4 1468 B13R1.555 CCCCNCc1ncccc1Br 6aa787303b404f2a253645dc50730f43 [0,1,0,1,0,0|2,0,0]=4 1469 B13R1.555 CCCCNCc1ncccc1C 7e34a56f85472df45b2722e501296a9f [0,1,0,1,0,0|2,0,0]=4 1470 B13R1.555 CCCCNCc1ncccc1Cl f5e4e31e65dd41817b26b9c739eb8df3 [0,1,0,1,0,0|2,0,0]=4 1471 B13R1.555 CCCCNCc1ncccc1F a6dd15e5368b7b154a1ac621f62562c0 [0,1,0,1,0,0|2,0,0]=4 1472 B13R1.555 CCCCOCc1ccc[nH]c1=O 9ba7ed04793e9783dc3e6ae00519126f [0,1,0,1,0,0|1,0,0]=3 1473 B13R1.555 CCCCOCc1ccccc1C 285e0d46f86c6405583b339b33a45748 [0,1,0,1,0,0|1,0,1]=4 1474 B13R1.555 CCCCOCc1ccccc1Cl 7e7ba135ee001955f5ddd8fc421f119d [0,1,0,1,0,0|1,0,1]=4 1475 B13R1.555 CCCCOCc1ccccc1F c860f48c6402dda7b64d980ab3448319 [0,1,0,1,0,0|1,0,1]=4 1476 B13R1.555 CCCCOCc1ccccc1I bb18ef6b0ca42d98ffdeec2537498cfd [0,1,0,1,0,0|1,0,1]=4 1477 B13R1.555 CCCCOCc1ccccc1S 64f0c6380a76dec8f594ad59644fa8e4 [0,1,0,1,0,0|0,1,1]=4 1478 B13R1.555 CCCCOCc1cccnc1Br bc68f7466bc11171f0a284ec813f7110 [0,1,0,1,0,0|2,0,0]=4 1479 B13R1.555 CCCCOCc1cccnc1C bfcd5c413956b365f9f402e473090128 [0,1,0,1,0,0|2,0,0]=4 1480 B13R1.555 CCCCOCc1cccnc1Cl d23c6a563085c8f739431056e0a39ac0 [0,1,0,1,0,0|2,0,0]=4 1481 B13R1.555 CCCCOCc1cccnc1F c0192266ca575bc0a14f2ea327f3b6b4 [0,1,0,1,0,0|2,0,0]=4 1482 B13R1.555 CCCCOCc1ccncc1Br cc90946f9bff45c892ba15869012dd90 [0,1,0,1,0,0|2,0,0]=4 1483 B13R1.555 CCCCOCc1ccncc1C c25fecec6b0a3da572e3367b3631a627 [0,1,0,1,0,0|2,0,0]=4 1484 B13R1.555 CCCCOCc1ccncc1Cl 3d175c7e9d1cfb0be4e9b06eceddc893 [0,1,0,1,0,0|2,0,0]=4 1485 B13R1.555 CCCCOCc1ccncc1F 00f7cd7f0be7e13dd02dbc73151903e0 [0,1,0,1,0,0|2,0,0]=4 1486 B13R1.555 CCCCOCc1ccncc1I 77495222c9e2dc9edf74da4f26ce9ccd [0,1,0,1,0,0|2,0,0]=4 1487 B13R1.555 CCCCOCc1cnccc1Br 0236e3131c08a1f4dbba09092c4873ad [0,1,0,1,0,0|2,0,0]=4 1488 B13R1.555 CCCCOCc1cnccc1C bfa7e590ec8f144785fb4d49f6e2f5c0 [0,1,0,1,0,0|2,0,0]=4 1489 B13R1.555 CCCCOCc1cnccc1Cl 9f0a961b4fc30b1dd5c9ba48348c779d [0,1,0,1,0,0|2,0,0]=4 1490 B13R1.555 CCCCOCc1cnccc1F 357319498944a27ac04890b0c42b8049 [0,1,0,1,0,0|2,0,0]=4 1491 B13R1.555 CCCCOCc1ncccc1Br fee1514f9bac54274fdecd08fb60192a [0,1,0,1,0,0|2,0,0]=4 1492 B13R1.555 CCCCOCc1ncccc1C c5fc49fc498bd4acdaa23bf0510530ea [0,1,0,1,0,0|2,0,0]=4 1493 B13R1.555 CCCCOCc1ncccc1Cl f9db8a93b14bf75104a5682dfe005de3 [0,1,0,1,0,0|2,0,0]=4 1494 B13R1.555 CCCCOCc1ncccc1F a0aa47bc852d4068f54c87f3b428358c [0,1,0,1,0,0|2,0,0]=4 1495 B13R1.555 CCCNCCc1ccccc1Cl 1e6a4ce6c800b4816f29e5dcbc7b0a3a [0,1,0,1,0,0|1,0,1]=4 1496 B13R1.555 CCCNCCc1ccccc1F 2daeb8b961812440f186bae0215efef3 [0,1,0,1,0,0|1,0,1]=4 1497 B13R1.555 CCCNCCc1ccccc1I d75d64220e9d388209a631867c18167f [0,1,0,1,0,0|1,0,1]=4 1498 B13R1.555 CCCNCCc1ncccc1Br 70721a9e09654d38ad89fa3124cb8968 [0,1,0,1,0,0|2,0,0]=4 1499 B13R1.555 CCCNCCc1ncccc1C 13a3678578bb1906e81185326df20b66 [0,1,0,1,0,0|2,0,0]=4 1500 B13R1.555 CCCNCCn1ccccc1=O 16ebd1af99674ae5e60b1d7310cedd30 [0,1,0,1,0,0|1,0,0]=3 1501 B13R1.555 CCCNCCn1ncccc1=O ce76bd7b7df37f901356cabe23dd3ad2 [0,1,0,1,0,0|2,0,0]=4 1502 B13R1.555 CCCOCCc1ccccc1C 8b284ad15ff0ccc34faff373ea707ce7 [0,1,0,1,0,0|1,0,1]=4 1503 B13R1.555 CCCOCCc1ccccc1Cl 1755efd31f155372ced6fa325624afe7 [0,1,0,1,0,0|1,0,1]=4 1504 B13R1.555 CCCOCCc1ccccc1F 5a546371c6d3a39b1fcbeeaf2ca5fffc [0,1,0,1,0,0|1,0,1]=4 1505 B13R1.555 CCCOCCc1ccccc1I 5d73c5e615c8f79581f81a4444a08594 [0,1,0,1,0,0|1,0,1]=4 1506 B13R1.555 CCCOCCc1ccncc1C 8102b9a31ae0b62b887f88bc5ab5f106 [0,1,0,1,0,0|2,0,0]=4 1507 B13R1.555 CCCOCCc1ccncc1Cl 11592bc6102e83a064ca9fad4881e87e [0,1,0,1,0,0|2,0,0]=4 1508 B13R1.555 CCCOCCc1ccncc1F 5bb16318463af10a943bda7775314b32 [0,1,0,1,0,0|2,0,0]=4 1509 B13R1.555 CCCOCCc1ncccc1C 988c78086c89bdb4348098384afb0a5f [0,1,0,1,0,0|2,0,0]=4 1510 B13R1.555 CCCOCCc1ncccc1F 9b60d2c6648acd54ea599e72923434d3 [0,1,0,1,0,0|2,0,0]=4 1511 B13R1.555 CCCOCCn1ccccc1=O e7aea345ba25bb7a6c68841188337e9c [0,1,0,1,0,0|1,0,0]=3 1512 B13R1.555 CCNCCCc1ccccc1Br 6db57353e26258f7a2567c3d1b163969 [0,1,0,1,0,0|1,0,1]=4 1513 B13R1.555 CCNCCCc1ccccc1C b56b79b24a247ba31cf871bd33387a54 [0,1,0,1,0,0|1,0,1]=4 1514 B13R1.555 CCNCCCc1ccccc1Cl ce0c41fa4f4dbc6891d06b61aff51993 [0,1,0,1,0,0|1,0,1]=4 1515 B13R1.555 CCNCCCc1ccccc1F d3104a2ce9ac6c6cf9f35df496667fac [0,1,0,1,0,0|1,0,1]=4 1516 B13R1.555 CCNCCCn1ncccc1=O b35f50733a7fff4f2629a90abf532379 [0,1,0,1,0,0|2,0,0]=4 1517 B13R1.555 CCOCCCc1ccccc1Br 38433946c5e4899cf714e450be902c79 [0,1,0,1,0,0|1,0,1]=4 1518 B13R1.555 CCOCCCc1ccccc1C 46b5ea5d1d75516cee06f1d17c52bf59 [0,1,0,1,0,0|1,0,1]=4 1519 B13R1.555 CCOCCCc1ccccc1Cl cc310565aaf23421d0afe130b147cbf6 [0,1,0,1,0,0|1,0,1]=4 1520 B13R1.555 CCOCCCc1ccccc1F 58c11f57d5f17bb8b4c76b84c4b95e45 [0,1,0,1,0,0|1,0,1]=4 1521 B13R1.555 CCOCCCc1cccnc1F 850803b00d07e37c3182a6f8eb79e27a [0,1,0,1,0,0|2,0,0]=4 1522 B13R1.555 CCOCCCc1ccncc1C 49cf899f08f9a25485120b25c3207869 [0,1,0,1,0,0|2,0,0]=4 1523 B13R1.555 CCOCCCc1cnccc1C 7d7fa3a59bdc87576ad4c8312f2d1be6 [0,1,0,1,0,0|2,0,0]=4 1524 B13R1.555 CCOCCCc1ncccc1F fd9c3ed773b442386f7fa0ecb12b6be6 [0,1,0,1,0,0|2,0,0]=4 1525 B13R1.555 CCOCCNc1c[nH]ccc1=O c777d48754237520ec8e98d42b27ad61 [0,1,0,1,0,0|2,0,0]=4 1526 B13R1.555 CCOCCNc1ccc[nH]c1=O 35bdac23fa4e0b79863840a482a3ae22 [0,1,0,1,0,0|2,0,0]=4 1527 B13R1.555 CCOCCNc1cccoc1=O 69535f2535baf204dbed1cac04d48188 [0,1,0,1,0,0|2,0,0]=4 1528 B13R1.555 CCOCCOc1cccoc1=O 671a5a0c93ece11a4adc0de8f5c922b8 [0,1,0,1,0,0|2,0,0]=4 1529 B13R1.555 CCOCCOc1coccc1=O e8ee18cd31878cb319e10f71b4137bd8 [0,1,0,1,0,0|2,0,0]=4 1530 B13R1.555 CCOCCOn1ccccc1=O 338becf3280652f448283ba798ce0212 [0,1,0,1,0,0|2,0,0]=4 1531 B13R1.555 CCOCOCc1ccc[nH]c1=O 8c7664107118647fdeb7397fd207085c [0,1,0,1,0,0|2,0,0]=4 1532 B13R1.555 CCSCCNc1c[nH]ccc1=O 5f79b2e18de515a6e4e991f43bbd17c2 [0,1,0,1,0,0|2,0,0]=4 1533 B13R1.555 CCSCCOc1cccoc1=O df43835ff9ca4db58f81e96b6fac004d [0,1,0,1,0,0|2,0,0]=4 1534 B13R1.555 CCSCCOc1coccc1=O 4b74c3f183d969ddb59684aa9ac6b484 [0,1,0,1,0,0|2,0,0]=4 1535 B13R1.555 CCSCCOn1ccccc1=O 7c6a3ad576c008e04cf6d4615b985baf [0,1,0,1,0,0|2,0,0]=4 1536 B13R1.555 COCCCNc1c[nH]ccc1=O 929e882f81156ec873746c2f08cbfb39 [0,1,0,1,0,0|2,0,0]=4 1537 B13R1.555 COCCCNc1ccc[nH]c1=O 3dd7f466dc053ab5c8ecbc51c1a423b5 [0,1,0,1,0,0|2,0,0]=4 1538 B13R1.555 COCCCOc1cccoc1=O a4bcec25e795dfcf01758816050f03fa [0,1,0,1,0,0|2,0,0]=4 1539 B13R1.555 COCCCOc1coccc1=O 7f6054c60d95585d4a57e621f422a085 [0,1,0,1,0,0|2,0,0]=4 1540 B13R1.555 COCCCOn1ccccc1=O 84d32ae214567d532c8481f5863281e9 [0,1,0,1,0,0|2,0,0]=4 1541 B13R1.555 COCCOCc1ccc[nH]c1=O df32d2fa2eda4420f5f7be4d04971108 [0,1,0,1,0,0|2,0,0]=4 1542 B13R1.555 COCNCCn1ccccc1=O af3e98412a5e72b2e1060c51a73dd3e4 [0,1,0,1,0,0|2,0,0]=4 1543 B13R1.555 COCOCCn1ccccc1=O e6357055aeaa6a87e075966eacfca6d5 [0,1,0,1,0,0|2,0,0]=4 1544 B13R1.555 CSCCCNc1c[nH]ccc1=O f2d2225e9ee4efdd152c199009962bff [0,1,0,1,0,0|2,0,0]=4 1545 B13R1.555 CSCCCNc1ccc[nH]c1=O ffcd6ced424d017daee50e2497269140 [0,1,0,1,0,0|2,0,0]=4 1546 B13R1.555 CSCCCNc1cccoc1=O fde1f7fb4473b6e8f3befc0c4aa50970 [0,1,0,1,0,0|2,0,0]=4 1547 B13R1.555 CSCCCOc1cccoc1=O f9bb6d3bbae9a0059357ecdad175d630 [0,1,0,1,0,0|2,0,0]=4 1548 B13R1.555 CSCCCOc1coccc1=O 2444b26638a348180704e075e3cc29f2 [0,1,0,1,0,0|2,0,0]=4 1549 B13R1.555 CSCCCOn1ccccc1=O 88c4cd23c07399e74eea70d7ffcebbbf [0,1,0,1,0,0|2,0,0]=4 1550 B13R1.555 CSCCOCc1ccc[nH]c1=O 1e135a8b5957e6cebb6f64cfc2b4b834 [0,1,0,1,0,0|2,0,0]=4 1551 B13R1.555 CSCNCCn1ccccc1=O 78031494e35967433c1991f4d2006a23 [0,1,0,1,0,0|2,0,0]=4 1552 B13R1.555 CSCOCCn1ccccc1=O 5ba897cb693858dc683711b0a23231cd [0,1,0,1,0,0|2,0,0]=4 1553 B13R1.555 C[C@@H]1CCCC[C@@H]1OC/C=C/C=O d7b6bcdbe8a4bf4aad4436e2cc7365b1 [0,1,0,1,0,0|0,0,2]=4 1554 B13R1.555 O=C/C=C/COC1CCCCC1F f9ffe52dc95ac735db3a10f10c45a354 [0,1,0,1,0,0|1,0,1]=4 1555 B13R1.555 O=c1[nH]cccc1COCCCF 9f51671e6f3f60601e617b3d754a1eb3 [0,1,0,1,0,0|2,0,0]=4 1556 B13R1.555 O=c1[nH]cccc1COCCCS a8ea2a7ecd697a6aa70840f22e599c82 [0,1,0,1,0,0|2,0,0]=4 1557 B13R1.555 O=c1[nH]cccc1NCCCCCl 123f22c8ba35ebcf0c8602d774a8ee56 [0,1,0,1,0,0|2,0,0]=4 1558 B13R1.555 O=c1[nH]cccc1NCCCCO 50a8c326b2aeab8917557c8fca34a985 [0,1,0,1,0,0|2,0,0]=4 1559 B13R1.555 O=c1[nH]cccc1NCCCCS dac5225e33eb774f6c60468b8059a642 [0,1,0,1,0,0|2,0,0]=4 1560 B13R1.555 O=c1cc[nH]cc1NCCCCCl ad722a2881bc32688df30dc4dca6fe5f [0,1,0,1,0,0|2,0,0]=4 1561 B13R1.555 O=c1cc[nH]cc1NCCCCO 47b09a4d2f895593e2faf8a5c805f372 [0,1,0,1,0,0|2,0,0]=4 1562 B13R1.555 O=c1cc[nH]cc1NCCCCS 7b6fbd8ea94c67c1e2fdbb85ffbfe738 [0,1,0,1,0,0|2,0,0]=4 1563 B13R1.555 O=c1ccccn1CCNCCF d40144a83e8b8c005a3096f918c9241d [0,1,0,1,0,0|2,0,0]=4 1564 B13R1.555 O=c1ccccn1CCNCCO 318d697de2c97744ac2f7f3ed3911d49 [0,1,0,1,0,0|2,0,0]=4 1565 B13R1.555 O=c1ccccn1CCNCCS 1ee194016c8b42bfeb1f8c411fd6667a [0,1,0,1,0,0|2,0,0]=4 1566 B13R1.555 O=c1ccccn1CCOCCF 81df96b035c2af3cf659813daf21ccce [0,1,0,1,0,0|2,0,0]=4 1567 B13R1.555 O=c1ccccn1CCOCCS e4c887ebd649e44ca2b84cb45cdd4aa7 [0,1,0,1,0,0|2,0,0]=4 1568 B13R1.555 O=c1ccccn1OCCCCF ab32039ec1fa44bba043c040998ab180 [0,1,0,1,0,0|2,0,0]=4 1569 B13R1.555 O=c1ccocc1OCCCCF 8b36272f1b1caa12209c62e81de24ebd [0,1,0,1,0,0|2,0,0]=4 1570 B13R1.555 O=c1occcc1NCCCCCl fb3af6b890c17b2e9d61e13a21d1d4de [0,1,0,1,0,0|2,0,0]=4 1571 B13R1.555 O=c1occcc1NCCCCO b29b4b5d5379119008100baa7c71daeb [0,1,0,1,0,0|2,0,0]=4 1572 B13R1.555 O=c1occcc1OCCCCF 2e2488defe0892aafe7a4c19c2375007 [0,1,0,1,0,0|2,0,0]=4 1573 B13R1.560 C/C=C/C=C/COCCC1CCC1 6eab9be085d3974bd32b133d3f4e7482 [0,1,0,1,0,0|1,0,1]=4 1574 B13R1.560 CC=CC=CCOCCC1CCC1 cee7b66267a716e6b85ec83437d9e62c [0,1,0,1,0,0|1,0,1]=4 1575 B13R1.560 O=C/C=C/COCCOC1CCC1 bfe9eaf2423f0834f1529aca9ee71577 [0,1,0,1,0,0|1,0,1]=4 1576 B13R1.1887 O=C/C=C/COC1CCCCCC1 5fddf68fcfdfd06fe099c93375b0ddd2 [0,1,0,1,0,0|0,0,2]=4 1577 B13R1.1887 O=C/C=C/COC1CCCOCC1 7a6efdf0a4eb1b82981c41535ee86935 [0,1,0,1,0,0|1,0,1]=4 1578 B13R1.24 CCCCCN(C)c1ccccc1 8e838ed249d36a49c1970673664302dd [0,1,0,1,0,0|2,0,0]=4 1579 B13R1.24 CCCCNC(C)c1ccccc1 ba9da65c92ba7fc468e0c4b78ba99ccc [0,1,0,1,0,0|2,0,0]=4 1580 B13R1.24 CCCCNC(C)c1ccccn1 fe9f05efea480959840e0a18da829fca [0,1,0,1,0,0|2,0,0]=4 1581 B13R1.24 CCCCN[C@@H](C)c1ccccc1 57b5e3ebff75ef31a64a222a6226a276 [0,1,0,1,0,0|2,0,0]=4 1582 B13R1.24 CCCCN[C@@H](C)c1ccccn1 343d6d4660d110198c1e6ec2467188d4 [0,1,0,1,0,0|2,0,0]=4 1583 B13R1.24 CCCCN[C@H](C)c1ccccc1 24dfb549a40c55400336ed3b2bc45c90 [0,1,0,1,0,0|2,0,0]=4 1584 B13R1.24 CCCCN[C@H](C)c1ccccn1 bb7b8fb961b98d4b1b6e53dbc5602bc9 [0,1,0,1,0,0|2,0,0]=4 1585 B13R1.24 CCCCOC(C)c1ccccc1 116618646832f472e55dfbe2113618bc [0,1,0,1,0,0|2,0,0]=4 1586 B13R1.24 CCCCOC(C)c1ccccn1 d8d8b1fdb7e1679deff0be9f2bd1add7 [0,1,0,1,0,0|2,0,0]=4 1587 B13R1.24 CCCCO[C@@H](C)c1ccccc1 93a610cc42c8d64b3ebf86e26c026ac9 [0,1,0,1,0,0|2,0,0]=4 1588 B13R1.24 CCCCO[C@@H](C)c1ccccn1 106781f495bc53bb4686d7b599400a73 [0,1,0,1,0,0|2,0,0]=4 1589 B13R1.24 CCCCO[C@H](C)c1ccccc1 11ad6d63bfec5cb3281b9eb95b5e04f0 [0,1,0,1,0,0|2,0,0]=4 1590 B13R1.24 CCCCO[C@H](C)c1ccccn1 f68f52c8b361bf4c92ec03a37fb11380 [0,1,0,1,0,0|2,0,0]=4 1591 B13R1.24 CCCNCC(C)c1ccccc1 5b9cbaa046214e464daaab40bbcd3312 [0,1,0,1,0,0|2,0,0]=4 1592 B13R1.24 CCCNCC(F)c1ccccc1 449b2015434bbd5b2836355939132d1a [0,1,0,1,0,0|2,0,0]=4 1593 B13R1.24 CCCNCC(O)c1ccccc1 d38eaae1b19c710adc21500685b8cd9a [0,1,0,1,0,0|2,0,0]=4 1594 B13R1.24 CCCNCC(O)c1ccccn1 19ce185a02a8a1325d6c69f94c6b75db [0,1,0,1,0,0|2,0,0]=4 1595 B13R1.24 CCCNC[C@@H](C)c1ccccc1 2308071747b02f56b924597b3ca017fa [0,1,0,1,0,0|2,0,0]=4 1596 B13R1.24 CCCNC[C@@H](O)c1ccccc1 ba1c94e938904bb5f8f256428bfd49c0 [0,1,0,1,0,0|2,0,0]=4 1597 B13R1.24 CCCNC[C@H](C)c1ccccc1 a93645e2df2d6a08f03c1dad967aea05 [0,1,0,1,0,0|2,0,0]=4 1598 B13R1.24 CCCNC[C@H](O)c1ccccc1 100bd33b1479296525e93adedc4476d6 [0,1,0,1,0,0|2,0,0]=4 1599 B13R1.24 CCCOCC(C)c1ccccc1 e679fb9dffb2d4c68eea61790de794fe [0,1,0,1,0,0|2,0,0]=4 1600 B13R1.24 CCCOCC(C)c1ccccn1 d456deae7ee7987a382d758efb120969 [0,1,0,1,0,0|2,0,0]=4 1601 B13R1.24 CCCOC[C@@H](C)c1ccccc1 8177c97a0f970e08f4bd9fbe91982acc [0,1,0,1,0,0|2,0,0]=4 1602 B13R1.24 CCCOC[C@H](C)c1ccccc1 5d43a358407c1950ccdd8a99e845d676 [0,1,0,1,0,0|2,0,0]=4 1603 B13R1.24 CCNCCC(C)c1ccccc1 ed81c2bb78ca6182229e1ff90805d458 [0,1,0,1,0,0|2,0,0]=4 1604 B13R1.24 CCNCCC(O)c1ccccc1 999492f51f98f44134773ecaec349081 [0,1,0,1,0,0|2,0,0]=4 1605 B13R1.24 CCNCC[C@@H](O)c1ccccc1 eea91830cc140499ddf8fc516d41f951 [0,1,0,1,0,0|2,0,0]=4 1606 B13R1.24 CCNCC[C@H](O)c1ccccc1 2589a73e054dbd92a4efc9e5ec82be1a [0,1,0,1,0,0|2,0,0]=4 1607 B13R1.24 CCOCCC(C)c1ccccc1 b507e430268e133923b92502bce58be6 [0,1,0,1,0,0|2,0,0]=4 1608 B13R1.48 CCCCCNC(=O)c1ccco1 6dc310eccc36aa6ca724e7c169385495 [0,1,0,1,0,0|1,0,1]=4 1609 B13R1.48 CCCCCNC(=O)c1cccs1 818bb5a784d69e642678986799491313 [0,1,0,1,0,0|1,1,0]=4 1610 B13R1.48 CCCCNCC(=O)c1ccc[nH]1 f4dce0db06529bc0573be8c3285b7212 [0,1,0,1,0,0|2,0,0]=4 1611 B13R1.48 CCCCNCC(=O)c1ccco1 f498e31f4a3ef1585ac107fb53e6f643 [0,1,0,1,0,0|1,0,1]=4 1612 B13R1.48 CCCCNCC(=O)c1cccs1 96ea0819c814cb640fabf9d8e18e74a3 [0,1,0,1,0,0|1,1,0]=4 1613 B13R1.48 CCCCOCC(=O)c1ccco1 c937ec2ab7e7e1d7c0e9ac9f961dfd86 [0,1,0,1,0,0|1,0,1]=4 1614 B13R1.48 CCCCOCC(=O)c1cccs1 ffa086712c87a3f5d847a7ab769f94f1 [0,1,0,1,0,0|1,1,0]=4 1615 B13R1.48 CCCNCCC(=O)c1cccs1 b5bd84530ebdd1a74f68243805f64df7 [0,1,0,1,0,0|1,1,0]=4 1616 B13R1.156 C/C=C/C=C/C(=O)NC1CCCC1 2eb886e71384f697d13bed4dcf5f40a5 [0,1,0,1,0,0|2,0,0]=4 1617 B13R1.156 CC=CC=CC(=O)NC1CCCC1 d33a02a6d13ff049009aed13b722f8eb [0,1,0,1,0,0|2,0,0]=4 1618 B13R1.156 CCCCCC(C)Oc1ccco1 712669dd52ef9fe4b51709a145a0c352 [0,1,0,1,0,0|1,0,1]=4 1619 B13R1.156 CCCCC[C@H](C)Oc1ccco1 93f5863aeedfc4b0777878e80ea6b5d5 [0,1,0,1,0,0|1,0,1]=4 1620 B13R1.189 CCCCCNc1c[nH]c(c1)C=O a52932c8a3ad38a35989bda4d33eba74 [0,1,0,1,0,0|2,0,0]=4 1621 B13R1.189 CCCCCNc1cc(c[nH]1)C=O bdc4574afa6ef8a4101fc44072412a5d [0,1,0,1,0,0|2,0,0]=4 1622 B13R1.189 CCCCCNc1cc(cs1)C=O 12997e1cdaeac2e4246e3754b397ad51 [0,1,0,1,0,0|2,0,0]=4 1623 B13R1.189 CCCCCNc1ccc([nH]1)C=O 4b32d419813c67766003a873b444a682 [0,1,0,1,0,0|1,0,0]=3 1624 B13R1.189 CCCCCNc1ccc(o1)C=O 61e7b59deaab4192ba85ff6be9871d1f [0,1,0,1,0,0|1,0,0]=3 1625 B13R1.189 CCCCCNc1ccc(s1)C=O b17559ae4f6b511a5bd3bbe734430f48 [0,1,0,1,0,0|1,0,0]=3 1626 B13R1.189 CCCCCNc1cnc([nH]1)C=O 3fbf5553924c0f7e383648e8b8ba662b [0,1,0,1,0,0|2,0,0]=4 1627 B13R1.189 CCCCCNc1cnc(o1)C=O daac58a8f3e50ddc048cec3c0fa39e78 [0,1,0,1,0,0|2,0,0]=4 1628 B13R1.189 CCCCCNc1cnc(s1)C=O ed6b5870bcfa3ff74bf467a439f73215 [0,1,0,1,0,0|2,0,0]=4 1629 B13R1.189 CCCCCNc1coc(c1)C=O 2b9b2c6e67aa37f9f2899596b938c410 [0,1,0,1,0,0|2,0,0]=4 1630 B13R1.189 CCCCCNc1coc(n1)C=O fcec349d6cf835dc3c30dc93751cdbe2 [0,1,0,1,0,0|2,0,0]=4 1631 B13R1.189 CCCCCNc1csc(c1)C=O fe73c234b6729999387bc7d2a1142336 [0,1,0,1,0,0|2,0,0]=4 1632 B13R1.189 CCCCCNc1csc(n1)C=O 5b5e4b80a11de1e8e8e00e24e34314f3 [0,1,0,1,0,0|2,0,0]=4 1633 B13R1.189 CCCCCNc1nc(co1)C=O 89cd29ebb93db6e3ad0a758f67bd5810 [0,1,0,1,0,0|2,0,0]=4 1634 B13R1.189 CCCCCNc1nc(cs1)C=O 5e94e039be897843465c6cf5aaf48294 [0,1,0,1,0,0|2,0,0]=4 1635 B13R1.189 CCCCCNc1ncc([nH]1)C=O 56a2af06e30fb55e9f809ac05ddf57d8 [0,1,0,1,0,0|2,0,0]=4 1636 B13R1.189 CCCCCNc1ncc(s1)C=O 35311d1881e8436ca979da708e4c2513 [0,1,0,1,0,0|2,0,0]=4 1637 B13R1.189 CCCCCOc1csc(c1)C=O ebbeb21ea4e98e4cadc17ebca4641dcd [0,1,0,1,0,0|2,0,0]=4 1638 B13R1.189 CCCCNCc1ccc(o1)C=O f32f3713ad762c1dee9f36bd5a366139 [0,1,0,1,0,0|1,0,0]=3 1639 B13R1.189 CCCCNCc1ccc(s1)C=O 4dbd02a6eb6da30c858e64e690bc0a76 [0,1,0,1,0,0|1,0,0]=3 1640 B13R1.189 CCCCOCc1ccc([nH]1)C=O a4a57333281bb01537bed8054b0c1766 [0,1,0,1,0,0|1,0,0]=3 1641 B13R1.189 CCCCOCc1ccc(o1)C=O 67d35700e6b888fe1d3eaf43dc96ea51 [0,1,0,1,0,0|1,0,0]=3 1642 B13R1.189 CCCCOCc1ccc(s1)C=O 7b968f4704a1ef8f4d3fa6ef1e40c58b [0,1,0,1,0,0|1,0,0]=3 1643 B13R1.189 CCCCOCc1coc(c1)C=O ea17adc644c7100dbfe14e85282f5aeb [0,1,0,1,0,0|2,0,0]=4 1644 B13R1.189 CCOCCNc1ccc([nH]1)C=O a63eeedcc3848bf4cd30ffbbf3b6d6e1 [0,1,0,1,0,0|2,0,0]=4 1645 B13R1.189 CCOCCNc1ccc(o1)C=O bdb65f93aac53b34a4bfe1596f54d9e8 [0,1,0,1,0,0|2,0,0]=4 1646 B13R1.189 CCOCCNc1ccc(s1)C=O 534dd7db182c93abd6bdd41f53f66ab5 [0,1,0,1,0,0|2,0,0]=4 1647 B13R1.189 CCOCOCc1ccc([nH]1)C=O a2526b3ff1e40e3212533f5f07864ae0 [0,1,0,1,0,0|2,0,0]=4 1648 B13R1.189 CCOCOCc1ccc(o1)C=O 99fe6ee7912c294756fc0f8cf9b495ea [0,1,0,1,0,0|2,0,0]=4 1649 B13R1.189 CCOCOCc1ccc(s1)C=O e0aff1d0b5086adb014ac75277903697 [0,1,0,1,0,0|2,0,0]=4 1650 B13R1.189 CCSCCNc1ccc([nH]1)C=O 7b2cefdef8d0cb4711ced03e8dddfcba [0,1,0,1,0,0|2,0,0]=4 1651 B13R1.189 CCSCCNc1ccc(o1)C=O 4f904ce223f19cf3a6587ec92c1f0159 [0,1,0,1,0,0|2,0,0]=4 1652 B13R1.189 CCSCCNc1ccc(s1)C=O cfb2e3b3fa4111fc12c209e8c8b20e02 [0,1,0,1,0,0|2,0,0]=4 1653 B13R1.189 COCCCNc1ccc([nH]1)C=O d1cc37da402e08a9cbbb98a1b5ed60cb [0,1,0,1,0,0|2,0,0]=4 1654 B13R1.189 COCCCNc1ccc(o1)C=O 87e45dbcfc28e8a107f4becc4effb1d2 [0,1,0,1,0,0|2,0,0]=4 1655 B13R1.189 COCCCNc1ccc(s1)C=O b8cecc06730129a1aa5ad384af71b02e [0,1,0,1,0,0|2,0,0]=4 1656 B13R1.189 COCCNCc1ccc(o1)C=O 3bef7355c655856cd0cc7f346d1c7d00 [0,1,0,1,0,0|2,0,0]=4 1657 B13R1.189 COCCNCc1ccc(s1)C=O a04cb00bbad26bf02156e03b5bd03931 [0,1,0,1,0,0|2,0,0]=4 1658 B13R1.189 COCCOCc1ccc([nH]1)C=O 1aaf8cd0dd6c2b58e121d4b1163329ce [0,1,0,1,0,0|2,0,0]=4 1659 B13R1.189 COCCOCc1ccc(o1)C=O 7eb827057e71236d543c0731971425e0 [0,1,0,1,0,0|2,0,0]=4 1660 B13R1.189 COCCOCc1ccc(s1)C=O 35f5353b29060d737fc27cf0cee095fa [0,1,0,1,0,0|2,0,0]=4 1661 B13R1.189 CSCCCNc1ccc([nH]1)C=O e473a81d0186afa828380c3859f9a64f [0,1,0,1,0,0|2,0,0]=4 1662 B13R1.189 CSCCCNc1ccc(o1)C=O b307d76b558718fb8b7f3f055ae981a9 [0,1,0,1,0,0|2,0,0]=4 1663 B13R1.189 CSCCCNc1ccc(s1)C=O 93a22d2267a0a2fd9d2463cf9472c3ea [0,1,0,1,0,0|2,0,0]=4 1664 B13R1.189 CSCCNCc1ccc(o1)C=O 64fca83654a4a30e7ec17b6b6bfeebc3 [0,1,0,1,0,0|2,0,0]=4 1665 B13R1.189 CSCCNCc1ccc(s1)C=O 9fa114867a6c744865dd54736e433927 [0,1,0,1,0,0|2,0,0]=4 1666 B13R1.189 CSCCOCc1ccc([nH]1)C=O 4660e93c770960e212d79457f3b88905 [0,1,0,1,0,0|2,0,0]=4 1667 B13R1.189 CSCCOCc1ccc(o1)C=O df08da46b810fdc6dc8aebc396d66372 [0,1,0,1,0,0|2,0,0]=4 1668 B13R1.189 CSCCOCc1ccc(s1)C=O 4562f81467dd531781881ee784a2db55 [0,1,0,1,0,0|2,0,0]=4 1669 B13R1.189 O=Cc1ccc([nH]1)COCCCF 561709bd3b7fb6374dba3ec56d1d92d1 [0,1,0,1,0,0|2,0,0]=4 1670 B13R1.189 O=Cc1ccc([nH]1)COCCCS abae1a343a77bf3c69b87c8f913d6d81 [0,1,0,1,0,0|2,0,0]=4 1671 B13R1.189 O=Cc1ccc([nH]1)NCCCCCl 90f4fb74a43194cf71d9e3600acb2e1b [0,1,0,1,0,0|2,0,0]=4 1672 B13R1.189 O=Cc1ccc([nH]1)NCCCCO 26da019b1e70ff1cb63c050ec8940622 [0,1,0,1,0,0|2,0,0]=4 1673 B13R1.189 O=Cc1ccc([nH]1)NCCCCS eaa814ce9880041f1308a2f45cec1e09 [0,1,0,1,0,0|2,0,0]=4 1674 B13R1.189 O=Cc1ccc(o1)CNCCCCl 3818eded9d8f830ec55f4b19bc5432fa [0,1,0,1,0,0|2,0,0]=4 1675 B13R1.189 O=Cc1ccc(o1)CNCCCO 8e0b21408fd9e897342184d647180395 [0,1,0,1,0,0|2,0,0]=4 1676 B13R1.189 O=Cc1ccc(o1)COCCCF 61c73c7c8c9e2b6f3d44629dafe2b8cb [0,1,0,1,0,0|2,0,0]=4 1677 B13R1.189 O=Cc1ccc(o1)COCCCS eab08f0529e2f354095de2e51890d972 [0,1,0,1,0,0|2,0,0]=4 1678 B13R1.189 O=Cc1ccc(o1)NCCCCCl edf6ba641f060b745a9579eefdf03a0a [0,1,0,1,0,0|2,0,0]=4 1679 B13R1.189 O=Cc1ccc(o1)NCCCCO 0ad6ecae25e8a0aa370eb23c2abc1b69 [0,1,0,1,0,0|2,0,0]=4 1680 B13R1.189 O=Cc1ccc(o1)NCCCCS 7169ea694930b23a054fc3c56283ccf7 [0,1,0,1,0,0|2,0,0]=4 1681 B13R1.189 O=Cc1ccc(s1)CNCCCCl ba1703282014d8b3267096b3da6a3562 [0,1,0,1,0,0|2,0,0]=4 1682 B13R1.189 O=Cc1ccc(s1)CNCCCO 83894703dcca9aae38b69eb68d928f2b [0,1,0,1,0,0|2,0,0]=4 1683 B13R1.189 O=Cc1ccc(s1)COCCCF 3fe4c5e5935f0357a44cd8bdf1fab287 [0,1,0,1,0,0|2,0,0]=4 1684 B13R1.189 O=Cc1ccc(s1)COCCCS 69ad0cebfba4a2144a1c8f50dc1ac20c [0,1,0,1,0,0|2,0,0]=4 1685 B13R1.189 O=Cc1ccc(s1)NCCCCCl 226c51128976ee178b45c49401f220b9 [0,1,0,1,0,0|2,0,0]=4 1686 B13R1.189 O=Cc1ccc(s1)NCCCCO 00aee61cf107f7617cff0f63bd24622f [0,1,0,1,0,0|2,0,0]=4 1687 B13R1.189 O=Cc1ccc(s1)NCCCCS 1e85c6187a5a21d296eec9a93fd6094c [0,1,0,1,0,0|2,0,0]=4 1688 B13R1.666 CCCCNc1cccc(c1)C=O 93e918b9329f78e7cab3ac1f5cdb17b9 [0,1,0,1,0,0|1,0,1]=4 1689 B13R1.666 CCCCNc1cccc(n1)C=O 2f1f69d1e4bd4a49591fbe9d40152529 [0,1,0,1,0,0|1,0,1]=4 1690 B13R1.666 CCCCOc1cccc(c1)C=O 2ec166b3a201ad4220badf4889ccc1c4 [0,1,0,1,0,0|1,0,1]=4 1691 B13R1.666 CCCNCc1cccc(c1)C=O e0a9dda831498003f47c95337c9dd2fc [0,1,0,1,0,0|1,0,1]=4 1692 B13R1.666 CCCOCc1cccc(c1)C=O 9e2354e89b71f8619017514f72a1b2ae [0,1,0,1,0,0|1,0,1]=4 1693 B13R1.666 CCCOCc1cccc(n1)C=O 925ad116637b4177e5203fea80c0e07b [0,1,0,1,0,0|1,0,1]=4 1694 B13R1.666 CCOCCc1cccc(c1)C=O 735efefe0b96cc8182b0492dc6179331 [0,1,0,1,0,0|1,0,1]=4 1695 B13R1.725 C/C=C/C=C/C(=O)N1CCCC1C bdc032c5f6d6e3d84de55596833c7df9 [0,1,0,1,0,0|2,0,0]=4 1696 B13R1.725 C/C=C/C=C/C(=O)N1CCC[C@@H]1C 42510c2a3c6f07a573dca2bcc76e5bee [0,1,0,1,0,0|2,0,0]=4 1697 B13R1.725 C/C=C/C=C/C(=O)N1CCC[C@H]1C d95643939dd623a1f01b1ae4429eb202 [0,1,0,1,0,0|2,0,0]=4 1698 B13R1.725 CC=CC=CC(=O)N1CCCC1C 7830a49e9e51a3a004934332cf38dc95 [0,1,0,1,0,0|2,0,0]=4 1699 B13R1.725 CC=CC=CC(=O)N1CCC[C@@H]1C 7886973ac388cb0a335d3886037ca53f [0,1,0,1,0,0|2,0,0]=4 1700 B13R1.725 CC=CC=CC(=O)N1CCC[C@H]1C 7f872084d9132dc21c94dd68a697c9ad [0,1,0,1,0,0|2,0,0]=4 1701 B13R1.726 C/C=C/C=C/C(=O)N1CCC1CC 073474f6b3c6a3dc658d719edb6ecf92 [0,1,0,1,0,0|2,0,0]=4 1702 B13R1.726 CC=CC=CC(=O)N1CCC1CC 642ffeac8331f71583e0d03aa0ae1885 [0,1,0,1,0,0|2,0,0]=4 1703 B13R1.728 C/C=C/C=C/C(=O)NCC1CCC1 578b4490a8cc11bfcb299bdfb85e9bc4 [0,1,0,1,0,0|2,0,0]=4 1704 B13R1.728 CC=CC=CC(=O)NCC1CCC1 e38379cf5b47fa7f1a819aa9c2237440 [0,1,0,1,0,0|2,0,0]=4 1705 B13R1.729 C/C=C/C=C/C(=O)NCCC1CC1 73cf47d24a11dcee4fbf868ccc3da876 [0,1,0,1,0,0|2,0,0]=4 1706 B13R1.729 CC=CC=CC(=O)NCCC1CC1 a0a146f60b175d1d3c45f223f3abf531 [0,1,0,1,0,0|2,0,0]=4 1707 B13R1.3538 C/C=C/C=C/C(=O)N[C@@H]1CC[C@H]1C 986c34e3cbbe75247f4e129aa4f037d6 [0,1,0,1,0,0|2,0,0]=4 1708 B13R1.3538 C/C=C/C=C/C(=O)N[C@H]1CC[C@H]1C 38983ef09df21868542ef320ed5396ac [0,1,0,1,0,0|2,0,0]=4 1709 B13R1.3538 CC=CC=CC(=O)N[C@@H]1CC[C@H]1C bd33301ee31509e43bc9c4c953f2aa56 [0,1,0,1,0,0|2,0,0]=4 1710 B13R1.3538 CC=CC=CC(=O)N[C@H]1CC[C@H]1C 6a9770a11dddd2dc0050b761ed989eda [0,1,0,1,0,0|2,0,0]=4 1711 B13R1.27 CCCCCCNc1cc(cs1)F d3db6f504a84c5ad465cd3602757cd83 [0,1,0,1,0,0|1,1,0]=4 1712 B13R1.27 CCCCCCNc1ccc(o1)C 73f939c8212e0529ea16cd2f1455bd59 [0,1,0,1,0,0|1,0,1]=4 1713 B13R1.27 CCCCCCNc1ccc(s1)C 520b224e38c02fce64f5c9b5e7e3be0e [0,1,0,1,0,0|1,1,0]=4 1714 B13R1.27 CCCCCCNc1ccc(s1)F b941398aa2ec03978be4a7314b942cb9 [0,1,0,1,0,0|1,1,0]=4 1715 B13R1.27 CCCCCCOC1=COC(=O)C1 90214a016d0ecda88a0883210f13b662 [0,1,0,1,0,0|2,0,0]=4 1716 B13R1.27 CCCCCCOC1C=CC(=O)C1 73f36604507ac5532a5e41b8b03585ea [0,1,0,1,0,0|1,0,1]=4 1717 B13R1.27 CCCCCCOC1C=CC(=O)O1 4c75861667e49d221eb42d7b40191daf [0,1,0,1,0,0|1,0,1]=4 1718 B13R1.27 CCCCCCO[C@H]1C=CC(=O)C1 54983af92627b1e78d9f5c3d20418814 [0,1,0,1,0,0|1,0,1]=4 1719 B13R1.27 CCCCCCOc1cc(cs1)C df8879e279b44af1ce109a5b6c272f4f [0,1,0,1,0,0|1,1,0]=4 1720 B13R1.27 CCCCCCOc1ccc(s1)Br 97cc3589548b751d19826fbb27d3c34f [0,1,0,1,0,0|1,1,0]=4 1721 B13R1.44 CCCCC(C)Nc1ccccc1 33a32ffda6f8f10c0a3dafe37790b50b [0,1,0,1,0,0|2,0,0]=4 1722 B13R1.44 CCCCC(C)Nc1ccccn1 345312f082073ed93cb341d625433baf [0,1,0,1,0,0|2,0,0]=4 1723 B13R1.44 CCCCC(C)Oc1ccccn1 1bf9282f665e11b81a4b8addaa5af343 [0,1,0,1,0,0|2,0,0]=4 1724 B13R1.44 CCCCN(C)Cc1ccccc1 a14836a42f96f1b5adf55efbbee812c9 [0,1,0,1,0,0|2,0,0]=4 1725 B13R1.44 CCCCN(C)Cc1ccccn1 e82a135797ef97dfbc5dc4a7bdfdd4a9 [0,1,0,1,0,0|2,0,0]=4 1726 B13R1.44 CCCC[C@@H](C)Nc1ccccc1 a81b81af0c0ad2ccc8b90d851da74931 [0,1,0,1,0,0|2,0,0]=4 1727 B13R1.44 CCCNC(C)Cc1ccccn1 08a9ae499a0ab2b3686ed9f796aeb713 [0,1,0,1,0,0|2,0,0]=4 1728 B13R1.44 CCCOC(C)Cc1ccccc1 0d6e3fc488ed6570a7168edeaecd186c [0,1,0,1,0,0|2,0,0]=4 1729 B13R1.44 CCCOC(C)Cc1ccccn1 94f180fb14efb678ae5b94b8a114d053 [0,1,0,1,0,0|2,0,0]=4 1730 B13R1.44 CCCO[C@@H](C)Cc1ccccc1 3b4dd1b88c8a6095ff95285b4bf0c213 [0,1,0,1,0,0|2,0,0]=4 1731 B13R1.44 CCCO[C@H](C)Cc1ccccc1 86496af3292741ec4d8a65d7a8599233 [0,1,0,1,0,0|2,0,0]=4 1732 B13R1.44 CCNCC(O)Cc1ccccc1 113d746b76c120a3b54e335fef68cfe0 [0,1,0,1,0,0|2,0,0]=4 1733 B13R1.153 C=C/C=C/C(=O)NCC1CCCC1 97abd858101b972beef2788519fd9a06 [0,1,0,1,0,0|2,0,0]=4 1734 B13R1.153 C=C/C=C\C(=O)NCC1CCCC1 c39607fe22c3c656a876ec3201886133 [0,1,0,1,0,0|2,0,0]=4 1735 B13R1.153 C=CC=CC(=O)NCC1CCCC1 6b4ef637eff2c4491852cb5b02aa364c [0,1,0,1,0,0|2,0,0]=4 1736 B13R1.656 CCCCOn1cc(ccc1=O)Br 9603c13b8a6af2a347a15674fb68cce7 [0,1,0,1,0,0|2,0,0]=4 1737 B13R1.656 CCCOCC1=CC(=O)C=CC1=O d4413647c51d53d7698156bbe88c24ef [0,1,0,1,0,0|1,0,1]=4 1738 B13R1.674 C=C/C=C/C(=O)N1CCCCC1C ce4d282947d228a537ffaef2f3ec4243 [0,1,0,1,0,0|2,0,0]=4 1739 B13R1.674 C=C/C=C/C(=O)N1CCCC[C@@H]1C e4c07b32e40979c6cd81b7cc9e1ded1e [0,1,0,1,0,0|2,0,0]=4 1740 B13R1.674 C=C/C=C/C(=O)N1CCCC[C@H]1C 416f94ed2a19577c4428288e502a3b42 [0,1,0,1,0,0|2,0,0]=4 1741 B13R1.674 C=C/C=C\C(=O)N1CCCCC1C e5cb1b4f5f470fe15187173c28c76014 [0,1,0,1,0,0|2,0,0]=4 1742 B13R1.674 C=C/C=C\C(=O)N1CCCC[C@@H]1C 38c8a81cf2cb8dd4370e5bfa49f1f3f8 [0,1,0,1,0,0|2,0,0]=4 1743 B13R1.674 C=C/C=C\C(=O)N1CCCC[C@H]1C 5db4592e775527041c0e9817b9f84a49 [0,1,0,1,0,0|2,0,0]=4 1744 B13R1.674 C=CC=CC(=O)N1CCCCC1C 6893e84e32db67c575a06ad2c142d582 [0,1,0,1,0,0|2,0,0]=4 1745 B13R1.674 C=CC=CC(=O)N1CCCC[C@@H]1C 2da523269a2a1ef9066859c4b9154059 [0,1,0,1,0,0|2,0,0]=4 1746 B13R1.674 C=CC=CC(=O)N1CCCC[C@H]1C 508db12bad0b518c59cd51f233f59b26 [0,1,0,1,0,0|2,0,0]=4 1747 B13R1.683 C=C/C=C/C(=O)NCCC1CCC1 f82d9f77e7342bda1fde4f96207de62a [0,1,0,1,0,0|2,0,0]=4 1748 B13R1.683 C=C/C=C\C(=O)NCCC1CCC1 93c8c7bf94af214fe13fe3bfa63a8fd7 [0,1,0,1,0,0|2,0,0]=4 1749 B13R1.683 C=CC=CC(=O)NCCC1CCC1 5a539281167c65691946f59fc8b1ac5f [0,1,0,1,0,0|2,0,0]=4 1750 B13R1.684 C=C/C=C/C(=O)N1CCCC1CC c5582d9cc5128bf314a6f29737b78610 [0,1,0,1,0,0|2,0,0]=4 1751 B13R1.684 C=C/C=C/C(=O)N1CCC[C@H]1CC e8c1633505f98cd9152e77b00bb81f42 [0,1,0,1,0,0|2,0,0]=4 1752 B13R1.684 C=C/C=C\C(=O)N1CCCC1CC b0ed4cf79004a0ad8b3c689a2c8ecac8 [0,1,0,1,0,0|2,0,0]=4 1753 B13R1.684 C=C/C=C\C(=O)N1CCC[C@H]1CC 9018f3d5d73eb59bd6655432634452f0 [0,1,0,1,0,0|2,0,0]=4 1754 B13R1.684 C=CC=CC(=O)N1CCCC1CC f36850d12d66cfbea9182dc32cc46b4f [0,1,0,1,0,0|2,0,0]=4 1755 B13R1.684 C=CC=CC(=O)N1CCC[C@H]1CC 6151dbabec350689c2d98f47552400b4 [0,1,0,1,0,0|2,0,0]=4 1756 B13R1.1133 CCCCOCN1C(=O)C=CC1=O ba4a5e93f69339ce70ce6a499496bb41 [0,1,0,1,0,0|2,0,0]=4 1757 B13R1.1133 CCCNCCN1C(=O)C=CC1=O 7a101b3e7b68eabb365d734434b8cbe2 [0,1,0,1,0,0|2,0,0]=4 1758 B13R1.1133 CCCOCCN1C(=O)C=CC1=O 7ffa0f57cd3fb314ff2fc9d16c281aaf [0,1,0,1,0,0|2,0,0]=4 1759 B13R1.1133 CCNCCCN1C(=O)C=CC1=O df4bb049c97f8b136cdf8bc63c35c1a3 [0,1,0,1,0,0|2,0,0]=4 1760 B13R1.2436 CC1(CCCC1)COC/C=C/C=O 5806f3d35544e1acb5bb12486abfa869 [0,1,0,1,0,0|1,0,1]=4 1761 B13R1.2436 O=C/C=C/COCC1(CCCC1)F f50c989ed10f02f6e141459f76645895 [0,1,0,1,0,0|1,0,1]=4 1762 B13R1.2488 C=C/C=C/C(=O)N1CCCCCC1 bad94ff796292c38b121faf1ae12596f [0,1,0,1,0,0|2,0,0]=4 1763 B13R1.2488 C=C/C=C\C(=O)N1CCCCCC1 9b5afb24573ab0079de62b543ef1842f [0,1,0,1,0,0|2,0,0]=4 1764 B13R1.2488 C=CC=CC(=O)N1CCCCCC1 2fd1b20a2a92b9b292fcab238d34f1b4 [0,1,0,1,0,0|2,0,0]=4 1765 B13R1.103 CCC1CCCN1C/C=C/C(=O)O a26ce1fa1602c1009a474dac2adf77f9 [0,1,0,1,0,0|1,0,1]=4 1766 B13R1.103 CCC1CCCN1CC=CC(=O)O a2e35922fd5003242e687c1e3ff0ad29 [0,1,0,1,0,0|1,0,1]=4 1767 B13R1.103 CC[C@@H]1CCCN1C/C=C/C(=O)O faaa72b1cbf35260cdc87097399f7a42 [0,1,0,1,0,0|1,0,1]=4 1768 B13R1.103 CC[C@@H]1CCCN1CC=CC(=O)O 469bed11b5255a37a9c6bfd1665bdcb9 [0,1,0,1,0,0|1,0,1]=4 1769 B13R1.158 CC(C)CCOn1ccccc1=O 34b99f39cc2aaa7a521b7463523afeb5 [0,1,0,1,0,0|2,0,0]=4 1770 B13R1.158 CC(C)NCCn1ccccc1=O 9bb775e063c5b6fc888b3325415e9b95 [0,1,0,1,0,0|2,0,0]=4 1771 B13R1.158 CC(C)OCCn1ccccc1=O c5ff206e233b15089483f45ac8863c59 [0,1,0,1,0,0|2,0,0]=4 1772 B13R1.158 CC1CCCCN1C/C=C/C(=O)O 40cfc9adfa6d72d7b49b2ae63fcac813 [0,1,0,1,0,0|1,0,1]=4 1773 B13R1.158 CC1CCCCN1CC=CC(=O)O cefe32af09f693787c95f4e49bc93ee3 [0,1,0,1,0,0|1,0,1]=4 1774 B13R1.158 C[C@@H]1CCCCN1C/C=C/C(=O)O 06eafc1455081c6d787643bf3aeecf79 [0,1,0,1,0,0|1,0,1]=4 1775 B13R1.158 C[C@@H]1CCCCN1CC=CC(=O)O 26a4c4ae18c126b14cf72bd34d085d1b [0,1,0,1,0,0|1,0,1]=4 1776 B13R1.158 C[C@H]1CCCCN1C/C=C/C(=O)O 962d24e05a3311f43480c9017ea1e4e2 [0,1,0,1,0,0|1,0,1]=4 1777 B13R1.158 C[C@H]1CCCCN1CC=CC(=O)O 0b5162efdc593feaeadfcece90b54132 [0,1,0,1,0,0|1,0,1]=4 1778 B13R1.167 CC1CCCC1OC/C=C/C(=O)O 07b7f61df39d48faf0528ad68423148f [0,1,0,1,0,0|1,0,1]=4 1779 B13R1.167 CC1CCCC1OCC=CC(=O)O 292424a3f2a8d59fff6f3976a8516cee [0,1,0,1,0,0|1,0,1]=4 1780 B13R1.167 C[C@@H]1CCC[C@@H]1OC/C=C/C(=O)O b08c297a4d7f3fb1c01102e1a9e4e1db [0,1,0,1,0,0|1,0,1]=4 1781 B13R1.167 C[C@@H]1CCC[C@@H]1OCC=CC(=O)O 0b7c1c6b8b4f04f0456657a60bcfe473 [0,1,0,1,0,0|1,0,1]=4 1782 B13R1.167 C[C@@H]1CCC[C@H]1OC/C=C/C(=O)O 8a86c86c0b623cc12bd1c88ea945efcb [0,1,0,1,0,0|1,0,1]=4 1783 B13R1.167 C[C@@H]1CCC[C@H]1OCC=CC(=O)O 4b6ec5e6b39f4bb3a24f2483b01b71b6 [0,1,0,1,0,0|1,0,1]=4 1784 B13R1.167 C[C@H]1CCC[C@@H]1OC/C=C/C(=O)O 5857b9f3fa0fd3e71b844f1d0b69d94f [0,1,0,1,0,0|1,0,1]=4 1785 B13R1.167 C[C@H]1CCC[C@@H]1OCC=CC(=O)O c87752bf547b50cb0db3f8d73f0eef5b [0,1,0,1,0,0|1,0,1]=4 1786 B13R1.167 C[C@H]1CCC[C@H]1OC/C=C/C(=O)O ba80f479ce88414e92922d95889f6dd6 [0,1,0,1,0,0|1,0,1]=4 1787 B13R1.167 C[C@H]1CCC[C@H]1OCC=CC(=O)O 5257dc01af3eb4afc5660e230a60f443 [0,1,0,1,0,0|1,0,1]=4 1788 B13R1.337 CC(C)CCCNc1ccccc1 c82a8703c7f6bacdc28ba024d517baa2 [0,1,0,1,0,0|2,0,0]=4 1789 B13R1.337 CC(C)CCCNc1ccccn1 51be2530c79b637398d9a91ae21bb834 [0,1,0,1,0,0|2,0,0]=4 1790 B13R1.337 CC(C)CCCOc1ccccn1 e6375a1c81cd42ff6185fcba1c54b2ce [0,1,0,1,0,0|2,0,0]=4 1791 B13R1.337 CC(C)CCNCc1ccccc1 1e688087bf103ef5abb70549de5710ec [0,1,0,1,0,0|2,0,0]=4 1792 B13R1.337 CC(C)CCNCc1ccccn1 9942edf39eabe74b173023ccd1d8f680 [0,1,0,1,0,0|2,0,0]=4 1793 B13R1.337 CC(C)CCOCc1ccccc1 b9a2e4d50d414109e50fcb33258261ee [0,1,0,1,0,0|2,0,0]=4 1794 B13R1.337 CC(C)CCOCc1ccccn1 02c5facde60119427fc0e1bd134b071a [0,1,0,1,0,0|2,0,0]=4 1795 B13R1.337 CC(C)CNCCc1ccccc1 f16bae1bab4fffecad912c27055afc90 [0,1,0,1,0,0|2,0,0]=4 1796 B13R1.337 CC(C)CNCCc1ccccn1 17637b2f9e470becdabf7d0ea22c2cf0 [0,1,0,1,0,0|2,0,0]=4 1797 B13R1.337 CC(C)COCCc1ccccc1 9d79219b725a9770020e16740c174e35 [0,1,0,1,0,0|2,0,0]=4 1798 B13R1.337 CC(C)COCCc1ccccn1 9d35d874685cdfba0dfc7eb62abfa758 [0,1,0,1,0,0|2,0,0]=4 1799 B13R1.337 CC(C)NCCCc1ccccc1 552e4f45cfe8a6dda608f5fb032f73f5 [0,1,0,1,0,0|2,0,0]=4 1800 B13R1.337 CC(C)NCCCc1ccccn1 a8386b45f11ad90cbb757483cb418377 [0,1,0,1,0,0|2,0,0]=4 1801 B13R1.337 CC(C)OCCCc1ccccc1 742e1fa75290dae4f0a256e8c200b37d [0,1,0,1,0,0|2,0,0]=4 1802 B13R1.337 CC(C)OCCCc1ccccn1 6eeb08edbb5f5925e676c222bd387982 [0,1,0,1,0,0|2,0,0]=4 1803 B13R1.337 CC(F)COCCc1ccccc1 b88b84139ff28c4dba49e80922dfc527 [0,1,0,1,0,0|2,0,0]=4 1804 B13R1.337 CC(F)COCCc1ccccn1 cd3269008528377c2532be03a6c22b7a [0,1,0,1,0,0|2,0,0]=4 1805 B13R1.337 CC(O)CCCNc1ccccc1 e1481daff7134e6c32163687714ef7b4 [0,1,0,1,0,0|2,0,0]=4 1806 B13R1.337 CC(O)CCCNc1ccccn1 c41566a209329c15500b283f331d8db0 [0,1,0,1,0,0|2,0,0]=4 1807 B13R1.337 CC(O)CCNCc1ccccc1 cfa220d842ce3cae8909bfde7ef82284 [0,1,0,1,0,0|2,0,0]=4 1808 B13R1.337 CC(O)CCNCc1ccccn1 4dce02551de73786b0164f0a70a73f58 [0,1,0,1,0,0|2,0,0]=4 1809 B13R1.337 CC(O)CNCCc1ccccc1 a17feeb1b67999943657abdea68adf32 [0,1,0,1,0,0|2,0,0]=4 1810 B13R1.337 CC(O)CNCCc1ccccn1 268379154892fe1c09468e2e1eb13e7d [0,1,0,1,0,0|2,0,0]=4 1811 B13R1.337 CC(S)COCCc1ccccc1 1401e2c2628cc7296975b60d2c489fa0 [0,1,0,1,0,0|2,0,0]=4 1812 B13R1.337 CC(S)COCCc1ccccn1 664565a46f29b2f4ac51dffb1ebf890b [0,1,0,1,0,0|2,0,0]=4 1813 B13R1.337 C[C@@H](F)COCCc1ccccc1 324a42257d14510e2a4b2220aecdbdf4 [0,1,0,1,0,0|2,0,0]=4 1814 B13R1.337 C[C@@H](F)COCCc1ccccn1 7453a04e7a585ea113c0565c71541bf4 [0,1,0,1,0,0|2,0,0]=4 1815 B13R1.337 C[C@@H](O)CCNCc1ccccc1 9f24edf605181e24106c0c6050c94c8d [0,1,0,1,0,0|2,0,0]=4 1816 B13R1.337 C[C@@H](O)CCNCc1ccccn1 5d455c49f6b415415e0d28e092776cb7 [0,1,0,1,0,0|2,0,0]=4 1817 B13R1.337 C[C@@H](O)CNCCc1ccccc1 35b5f13fb946c3a825fbd6735657a24e [0,1,0,1,0,0|2,0,0]=4 1818 B13R1.337 C[C@@H](O)CNCCc1ccccn1 c43c4f83289564e6983603813bd4d4e1 [0,1,0,1,0,0|2,0,0]=4 1819 B13R1.337 C[C@H](F)COCCc1ccccc1 479d61bd28093766e98c2d08317df7a7 [0,1,0,1,0,0|2,0,0]=4 1820 B13R1.337 C[C@H](F)COCCc1ccccn1 b9e4cc640150acb06e931d7d17239af3 [0,1,0,1,0,0|2,0,0]=4 1821 B13R1.337 C[C@H](O)CCNCc1ccccc1 01aee1d49778ff0afdde520c75c72c5a [0,1,0,1,0,0|2,0,0]=4 1822 B13R1.337 C[C@H](O)CCNCc1ccccn1 60298be12bf14aca760f8f9698717ae5 [0,1,0,1,0,0|2,0,0]=4 1823 B13R1.337 C[C@H](O)CNCCc1ccccc1 92faadc7c13ae1e992b2047adf854f5f [0,1,0,1,0,0|2,0,0]=4 1824 B13R1.337 C[C@H](O)CNCCc1ccccn1 9c39f185c01f63da527f0b24dc64f54d [0,1,0,1,0,0|2,0,0]=4 1825 B13R1.337 O=C(O)/C=C/CNC1CCCCC1 bf665206e854606d4919a3d8db98d5a3 [0,1,0,1,0,0|1,0,1]=4 1826 B13R1.337 O=C(O)/C=C/COC1CCCCC1 1cb6444fb6febf81ad65f6ff89f56bfb [0,1,0,1,0,0|1,0,1]=4 1827 B13R1.337 O=C(O)C=CCNC1CCCCC1 885c048393cf2678257c0ac6803e12df [0,1,0,1,0,0|1,0,1]=4 1828 B13R1.337 O=C(O)C=CCOC1CCCCC1 dbd9b6504d6681fcbec50ac5887ffa87 [0,1,0,1,0,0|1,0,1]=4 1829 B13R1.343 CC(C)CCCCNc1cccs1 88dda47d45f94eb3a6d2b02278933e93 [0,1,0,1,0,0|1,1,0]=4 1830 B13R1.343 CC(C)CCCCOc1ccco1 dc4ec529a9d413647a7e150825569fb3 [0,1,0,1,0,0|1,0,1]=4 1831 B13R1.343 CC(C)CCCCOc1cccs1 17589b710485681f5a7b69c80c34f77a [0,1,0,1,0,0|1,1,0]=4 1832 B13R1.343 CC(O)CCCCNc1cccs1 5c588a7e7ffe9518623a8b6eef332541 [0,1,0,1,0,0|1,1,0]=4 1833 B13R1.343 C[C@@H](O)CCCCNc1cccs1 98113d8fea7d252010296dc11f78292b [0,1,0,1,0,0|1,1,0]=4 1834 B13R1.343 O=C(O)/C=C/CNCC1CCCC1 f37cf10455820c8d72fa9db073036149 [0,1,0,1,0,0|1,0,1]=4 1835 B13R1.343 O=C(O)/C=C/COCC1CCCC1 eee790dcd5c66b4a168f1e51b4de1f06 [0,1,0,1,0,0|1,0,1]=4 1836 B13R1.343 O=C(O)C=CCNCC1CCCC1 5cf263a25b0ffeb4da45c6cc4b823d5c [0,1,0,1,0,0|1,0,1]=4 1837 B13R1.343 O=C(O)C=CCOCC1CCCC1 4e80353359829d2c639d4403e99ac3a6 [0,1,0,1,0,0|1,0,1]=4 1838 B13R1.586 O=C(O)/C=C/CNCCC1CCC1 dd5a482b54a06ec2350e924d43d294f3 [0,1,0,1,0,0|1,0,1]=4 1839 B13R1.586 O=C(O)/C=C/COCCC1CCC1 f74f19b3b9519dc95880b46834d17807 [0,1,0,1,0,0|1,0,1]=4 1840 B13R1.586 O=C(O)C=CCNCCC1CCC1 2c9fae2b9b61c0553accd0e5d9ccc102 [0,1,0,1,0,0|1,0,1]=4 1841 B13R1.586 O=C(O)C=CCOCCC1CCC1 d2d76aa124da51e0fa4ff928947aef43 [0,1,0,1,0,0|1,0,1]=4 1842 B13R1.1052 O=C(O)/C=C/COCCCC1CC1 6e2279157e13124229fb652dadf929fd [0,1,0,1,0,0|1,0,1]=4 1843 B13R1.1052 O=C(O)C=CCOCCCC1CC1 a98bb41d32e7df1ac3bdd4475675879a [0,1,0,1,0,0|1,0,1]=4 1844 B13R1.1988 O=C(O)/C=C/CN1CCCCCC1 9beeb129d8fc364d6a06f2ce479f8a3b [0,1,0,1,0,0|1,0,1]=4 1845 B13R1.1988 O=C(O)C=CCN1CCCCCC1 5e37a7b6e44714d351a56993a7130b71 [0,1,0,1,0,0|1,0,1]=4 1846 B13R1.9 CC1CCC(CC1)OC/C=C/C=O 89146c57f73d54320135b096382ac1b5 [0,1,0,1,0,0|1,0,1]=4 1847 B13R1.9 CCCCCNc1ccc(cc1)Br 399b0f12784e8ff727bb98cdf988d048 [0,1,0,1,0,0|2,0,0]=4 1848 B13R1.9 CCCCCNc1ccc(cc1)C c622af99ca34ba4e41e61a6b93c4c307 [0,1,0,1,0,0|2,0,0]=4 1849 B13R1.9 CCCCCNc1ccc(cc1)Cl db2701f3eddf0ed4d7ba9133e6da10ff [0,1,0,1,0,0|2,0,0]=4 1850 B13R1.9 CCCCCNc1ccc(cc1)F 580f8bb5934a0a51217dc0ae3e85a1ac [0,1,0,1,0,0|2,0,0]=4 1851 B13R1.9 CCCCCNc1ccc(cc1)I ab59d873e6fbc39e64d1a325bde97e68 [0,1,0,1,0,0|2,0,0]=4 1852 B13R1.9 CCCCCNc1ccc(cc1)S 0a65ff485ece4fef685f5a0d88dd465b [0,1,0,1,0,0|2,0,0]=4 1853 B13R1.9 CCCCCNc1ccc(cn1)Br ca00e79073f5812f64fa485e00bb6929 [0,1,0,1,0,0|2,0,0]=4 1854 B13R1.9 CCCCCNc1ccc(cn1)C 9ff7d7b1eb16d3b1908bb1c1250ba318 [0,1,0,1,0,0|2,0,0]=4 1855 B13R1.9 CCCCCNc1ccc(cn1)Cl 820cd6fb18f8963a3d4c8a75e542ebdb [0,1,0,1,0,0|2,0,0]=4 1856 B13R1.9 CCCCCNc1ccc(cn1)F e0dd66a531613300972a4cb104aa53ee [0,1,0,1,0,0|2,0,0]=4 1857 B13R1.9 CCCCCNc1ccc(cn1)I 73649e720a8c571b3e8824b552f6fc04 [0,1,0,1,0,0|2,0,0]=4 1858 B13R1.9 CCCCCOc1ccc(cc1)Br 029cd0cc79a1ab8ad9fa2c31d08758e6 [0,1,0,1,0,0|2,0,0]=4 1859 B13R1.9 CCCCCOc1ccc(cc1)C b8d8eb65ed8e49868e6f5572f0279b89 [0,1,0,1,0,0|2,0,0]=4 1860 B13R1.9 CCCCCOc1ccc(cc1)Cl 74195c4ec29889be299aa552247700eb [0,1,0,1,0,0|2,0,0]=4 1861 B13R1.9 CCCCCOc1ccc(cc1)F 603ee5ed5ce4e8a76e547a9cdf21fae2 [0,1,0,1,0,0|2,0,0]=4 1862 B13R1.9 CCCCCOc1ccc(cc1)I 457ce6ee24951885a241a6716715e0e5 [0,1,0,1,0,0|2,0,0]=4 1863 B13R1.9 CCCCCOc1ccc(cc1)S b2a1fec7d3eac64f721c19664d4dafee [0,1,0,1,0,0|2,0,0]=4 1864 B13R1.9 CCCCCOc1ccc(cn1)C 28b26552b3eff7270aee573b707fb0d6 [0,1,0,1,0,0|2,0,0]=4 1865 B13R1.9 CCCCCOc1ccc(cn1)Cl 09f5c81fba5bd06524c41f0d678ebdf4 [0,1,0,1,0,0|2,0,0]=4 1866 B13R1.9 CCCCCOc1ccc(cn1)F 7fc79397821740d441fdf6b0cd75d7dc [0,1,0,1,0,0|2,0,0]=4 1867 B13R1.9 CCCCCOc1ccc(cn1)I 328a1d281a53e68fc02c97f841380255 [0,1,0,1,0,0|2,0,0]=4 1868 B13R1.9 CCCCNCc1ccc(cc1)Br 6be3ff65bd78e011c4697fdb55b3d3bc [0,1,0,1,0,0|2,0,0]=4 1869 B13R1.9 CCCCNCc1ccc(cc1)C 61d2f2df358fe5c87708cf31eef18999 [0,1,0,1,0,0|2,0,0]=4 1870 B13R1.9 CCCCNCc1ccc(cc1)Cl 532ed9771f230554e3940963ba542481 [0,1,0,1,0,0|2,0,0]=4 1871 B13R1.9 CCCCNCc1ccc(cc1)F 72d8d34d1589f04d6b6eb7fc7d4991a3 [0,1,0,1,0,0|2,0,0]=4 1872 B13R1.9 CCCCNCc1ccc(cc1)I f9a5a5ef97ac92e50da6e08610790175 [0,1,0,1,0,0|2,0,0]=4 1873 B13R1.9 CCCCNCc1ccc(cn1)Br 015dd44af612256026ac0dfea0939c42 [0,1,0,1,0,0|2,0,0]=4 1874 B13R1.9 CCCCNCc1ccc(cn1)C d154b14d7b7492b90118ae47abd21fa2 [0,1,0,1,0,0|2,0,0]=4 1875 B13R1.9 CCCCNCc1ccc(cn1)Cl 83ad535a28fe27a88e1a5f66ba204b40 [0,1,0,1,0,0|2,0,0]=4 1876 B13R1.9 CCCCNCc1ccc(cn1)F ab077402c1ba9c6e4308915bdbc4d1e6 [0,1,0,1,0,0|2,0,0]=4 1877 B13R1.9 CCCCOCc1ccc(cc1)Br 5da142724a48757229343a61d0e28c22 [0,1,0,1,0,0|2,0,0]=4 1878 B13R1.9 CCCCOCc1ccc(cc1)C 9d972268dbc6c9e7b5bab39c177f6884 [0,1,0,1,0,0|2,0,0]=4 1879 B13R1.9 CCCCOCc1ccc(cc1)Cl ee21c1e5711d042d515cb881885cd27a [0,1,0,1,0,0|2,0,0]=4 1880 B13R1.9 CCCCOCc1ccc(cc1)F 4014fce777d4fdaefec42789af28511e [0,1,0,1,0,0|2,0,0]=4 1881 B13R1.9 CCCCOCc1ccc(cc1)I b9752eaa0d07c9b76ec6622632ae04e5 [0,1,0,1,0,0|2,0,0]=4 1882 B13R1.9 CCCCOCc1ccc(cc1)S 97deb168cdab1682087031d4597564bb [0,1,0,1,0,0|2,0,0]=4 1883 B13R1.9 CCCCOCc1ccc(cn1)Br 6cd9965454a286129f1ca47d554491eb [0,1,0,1,0,0|2,0,0]=4 1884 B13R1.9 CCCCOCc1ccc(cn1)C 7d43ee4a6453e32e9698c33f3da2f91e [0,1,0,1,0,0|2,0,0]=4 1885 B13R1.9 CCCCOCc1ccc(cn1)Cl bc19c3f41f9b1b521a71e337d8fcd52c [0,1,0,1,0,0|2,0,0]=4 1886 B13R1.9 CCCCOCc1ccc(cn1)F 50b90e8c4bdeeec9ebb470f7246a1aa0 [0,1,0,1,0,0|2,0,0]=4 1887 B13R1.9 CCCCOCc1ccc(cn1)I 458e9dea1b0fb0d4811d2a4adccef1e4 [0,1,0,1,0,0|2,0,0]=4 1888 B13R1.9 CCCNCCc1ccc(cc1)Br 3ed458e64dace58c0843403ea5a6680e [0,1,0,1,0,0|2,0,0]=4 1889 B13R1.9 CCCNCCc1ccc(cc1)C b11ec02550907f75df9a9da26de696e4 [0,1,0,1,0,0|2,0,0]=4 1890 B13R1.9 CCCNCCc1ccc(cc1)Cl a6065b37b44ad7d32a010e66c1cffb78 [0,1,0,1,0,0|2,0,0]=4 1891 B13R1.9 CCCNCCc1ccc(cc1)F 0971a593a144446fba2793714c32c21d [0,1,0,1,0,0|2,0,0]=4 1892 B13R1.9 CCCNCCc1ccc(cc1)I 39f63bbd6714703c6d32d4f8d9662ba9 [0,1,0,1,0,0|2,0,0]=4 1893 B13R1.9 CCCNCCc1ccc(cn1)Br a199c254429e70c9628f93851809cf86 [0,1,0,1,0,0|2,0,0]=4 1894 B13R1.9 CCCOCCc1ccc(cc1)Br 71039672b78f8e8eee818f6dbd22c81d [0,1,0,1,0,0|2,0,0]=4 1895 B13R1.9 CCCOCCc1ccc(cc1)C b52b4ea49ccb764f28c79424db6a1a35 [0,1,0,1,0,0|2,0,0]=4 1896 B13R1.9 CCCOCCc1ccc(cc1)Cl d8c5fc05403e01504a875f2a38ffbd42 [0,1,0,1,0,0|2,0,0]=4 1897 B13R1.9 CCCOCCc1ccc(cc1)F 64995a6273f4823df22902e3631c71f3 [0,1,0,1,0,0|2,0,0]=4 1898 B13R1.9 CCCOCCc1ccc(cc1)I c347b694f040406c12df32eb2bbd0843 [0,1,0,1,0,0|2,0,0]=4 1899 B13R1.9 CCCOCCc1ccc(cn1)Br ed5abf8a5d102b75e1b59336bcca479c [0,1,0,1,0,0|2,0,0]=4 1900 B13R1.9 CCCOCCc1ccc(cn1)C dd9848dd2af9e4b9fe155435b2b71145 [0,1,0,1,0,0|2,0,0]=4 1901 B13R1.9 CCCOCCc1ccc(cn1)F 68f66371401b4aa5afea55d614c623a9 [0,1,0,1,0,0|2,0,0]=4 1902 B13R1.9 CCNCCCc1ccc(cc1)Br b2538e078528e7a991f230f2ef9be40e [0,1,0,1,0,0|2,0,0]=4 1903 B13R1.9 CCNCCCc1ccc(cc1)C 9d419320837ff4845b086ea38fe917b2 [0,1,0,1,0,0|2,0,0]=4 1904 B13R1.9 CCNCCCc1ccc(cc1)Cl ed4e9b0e62104a0f56cd18ca5fa4ab1d [0,1,0,1,0,0|2,0,0]=4 1905 B13R1.9 CCNCCCc1ccc(cc1)F 5d49bc24a3068a0ecf5741111c07eb61 [0,1,0,1,0,0|2,0,0]=4 1906 B13R1.9 CCOCCCc1ccc(cc1)Br 6618b83f240bcaaadd04967909ccc495 [0,1,0,1,0,0|2,0,0]=4 1907 B13R1.9 CCOCCCc1ccc(cc1)C fb6f8467226673699f4ea3c6ca3b4db0 [0,1,0,1,0,0|2,0,0]=4 1908 B13R1.9 CCOCCCc1ccc(cc1)Cl 2a1e91b904686b46764abf9239fbf4b6 [0,1,0,1,0,0|2,0,0]=4 1909 B13R1.9 CCOCCCc1ccc(cc1)F f0451a6ead50026cb49c3c7f50cc0c8e [0,1,0,1,0,0|2,0,0]=4 1910 B13R1.528 CCC(C)COn1ccccc1=O 2f15632748586cffa48d039bbf46f94e [0,1,0,1,0,0|2,0,0]=4 1911 B13R1.528 CC[C@@H](C)COn1ccccc1=O cb14437a0696195b27fce56f758f9af4 [0,1,0,1,0,0|2,0,0]=4 1912 B13R1.528 CC[C@H](C)COn1ccccc1=O e0e456aab680e72c285d927c27a4f11a [0,1,0,1,0,0|2,0,0]=4 1913 B13R1.718 CCC(C)CCNc1ccccc1 b42133b77396dfed20aa3240ac9ca29a [0,1,0,1,0,0|2,0,0]=4 1914 B13R1.718 CCC(C)CCNc1ccccn1 0d19499f049ce40b320001eda50ce47e [0,1,0,1,0,0|2,0,0]=4 1915 B13R1.718 CCC(C)CCOc1ccccn1 bd11a35883ef61e8f6d1e2415310e6f3 [0,1,0,1,0,0|2,0,0]=4 1916 B13R1.718 CCC(C)CNCc1ccccc1 9212151e95985ff645dd6e0e56bfbd96 [0,1,0,1,0,0|2,0,0]=4 1917 B13R1.718 CCC(C)CNCc1ccccn1 24e1cda0c261324c19050c8d16a46171 [0,1,0,1,0,0|2,0,0]=4 1918 B13R1.718 CCC(C)COCc1ccccc1 a8db5027fb548c7a3aa4f8e3aac3f29d [0,1,0,1,0,0|2,0,0]=4 1919 B13R1.718 CCC(C)COCc1ccccn1 7b83d988cff80e11b11e235047a147c3 [0,1,0,1,0,0|2,0,0]=4 1920 B13R1.718 CCC(C)NCCc1ccccc1 04fedbf0cb6009843db62b814f469f4d [0,1,0,1,0,0|2,0,0]=4 1921 B13R1.718 CCC(C)NCCc1ccccn1 fe6d040ea3832d34e25d3609e9efc0a1 [0,1,0,1,0,0|2,0,0]=4 1922 B13R1.718 CCC(C)OCCc1ccccc1 ebd850bb8f2f6a99345d946634614b34 [0,1,0,1,0,0|2,0,0]=4 1923 B13R1.718 CCC(C)OCCc1ccccn1 e899f44f624b8ae2a554dcfb20338a54 [0,1,0,1,0,0|2,0,0]=4 1924 B13R1.718 CCC(O)CNCc1ccccc1 5df21e5b8da54e62a8351afe56b24c4a [0,1,0,1,0,0|2,0,0]=4 1925 B13R1.718 CCC(O)CNCc1ccccn1 d127f7de937d460d83b0c4e835fc6be6 [0,1,0,1,0,0|2,0,0]=4 1926 B13R1.718 CCN(C)CCCc1ccccc1 0fcd92cbf113da90360df3090d73dab6 [0,1,0,1,0,0|2,0,0]=4 1927 B13R1.718 CCN(C)CCCc1ccccn1 ed387976743ca9ef2172d2aed443ce62 [0,1,0,1,0,0|2,0,0]=4 1928 B13R1.718 CC[C@@H](C)CNCc1ccccc1 3e755e1966c9036c01c574cad72da958 [0,1,0,1,0,0|2,0,0]=4 1929 B13R1.718 CC[C@@H](C)CNCc1ccccn1 8f482b4c968ad45d74783469da4625ec [0,1,0,1,0,0|2,0,0]=4 1930 B13R1.718 CC[C@@H](C)COCc1ccccc1 3acbc56912048406996b8b9ea7a10564 [0,1,0,1,0,0|2,0,0]=4 1931 B13R1.718 CC[C@@H](C)COCc1ccccn1 618f3b9796e3c4139e4546044d36cf66 [0,1,0,1,0,0|2,0,0]=4 1932 B13R1.718 CC[C@@H](C)NCCc1ccccc1 e9d3e12ce5c5fe10ecfef40b36bd9295 [0,1,0,1,0,0|2,0,0]=4 1933 B13R1.718 CC[C@@H](C)NCCc1ccccn1 f7ebab828ca2f6be9c3b33aa3dd6dbe7 [0,1,0,1,0,0|2,0,0]=4 1934 B13R1.718 CC[C@@H](C)OCCc1ccccc1 2f036ce5b90828a6d2f870c2a2025003 [0,1,0,1,0,0|2,0,0]=4 1935 B13R1.718 CC[C@@H](C)OCCc1ccccn1 c8dfdc4d34e2a9d7a3e1dcfc6e82b851 [0,1,0,1,0,0|2,0,0]=4 1936 B13R1.718 CC[C@@H](O)CNCc1ccccc1 442d164a8251681b791974d837cea552 [0,1,0,1,0,0|2,0,0]=4 1937 B13R1.718 CC[C@@H](O)CNCc1ccccn1 f1c9fbda99cbc87879628833c6984590 [0,1,0,1,0,0|2,0,0]=4 1938 B13R1.718 CC[C@H](C)CNCc1ccccc1 57f32a8258da15a9bcf0119991ef3cbb [0,1,0,1,0,0|2,0,0]=4 1939 B13R1.718 CC[C@H](C)CNCc1ccccn1 3f914e701726efd5ff6121ae17150fc4 [0,1,0,1,0,0|2,0,0]=4 1940 B13R1.718 CC[C@H](C)COCc1ccccc1 3b63c6ed8446e2d55321d06d46f32904 [0,1,0,1,0,0|2,0,0]=4 1941 B13R1.718 CC[C@H](C)COCc1ccccn1 66f5981fc79bdf4b8dd51e817064c9e6 [0,1,0,1,0,0|2,0,0]=4 1942 B13R1.718 CC[C@H](C)NCCc1ccccc1 5bd761bea609e39e2c4848d512bd6573 [0,1,0,1,0,0|2,0,0]=4 1943 B13R1.718 CC[C@H](C)NCCc1ccccn1 a4d51fae7d9f29581ff83fc8e65c4b23 [0,1,0,1,0,0|2,0,0]=4 1944 B13R1.718 CC[C@H](C)OCCc1ccccc1 fd47c0386d3a87c182e4a46502f572e0 [0,1,0,1,0,0|2,0,0]=4 1945 B13R1.718 CC[C@H](C)OCCc1ccccn1 fdc69678de6406a9826576be1762a1d8 [0,1,0,1,0,0|2,0,0]=4 1946 B13R2.1 CCCN1CCc2c1cccc2 cf445eb4d83e99a5cc4d8344bb63d31d [0,0,0,2,0,0|2,0,0]=4 1947 B13R2.1 CCCN1CCc2c1cccn2 1db857eceba67d82bc1cf19a8f34bf48 [0,0,0,2,0,0|2,0,0]=4 1948 B13R2.1 CCNC1CCc2c1cccc2 a2f9a7034c524e36dce9da570b8eed38 [0,0,0,2,0,0|2,0,0]=4 1949 B13R2.1 CCNC1CCc2c1cccn2 b3b2e90c68f62fb1ac1e2f62a18647d5 [0,0,0,2,0,0|2,0,0]=4 1950 B13R2.1 CCN[C@@H]1CCc2c1cccc2 5aed7c7d3dcee97baa206f32f1362e41 [0,0,0,2,0,0|2,0,0]=4 1951 B13R2.1 CCN[C@@H]1CCc2c1cccn2 dfbe01a2bcf28fefda2d3faef7d66293 [0,0,0,2,0,0|2,0,0]=4 1952 B13R2.1 CCN[C@H]1CCc2c1cccc2 f19fd7a3a0767a9c0a83a9bd087dc982 [0,0,0,2,0,0|2,0,0]=4 1953 B13R2.1 CCN[C@H]1CCc2c1cccn2 377b65ef739f583520e4d6dcfffb9079 [0,0,0,2,0,0|2,0,0]=4 1954 B13R2.1 CCOC1CCc2c1cccc2 0a564ddb836ef50c1bf85fb2687fd49d [0,0,0,2,0,0|2,0,0]=4 1955 B13R2.1 CCOC1CCc2c1cccn2 c6c0f5cd67dfc92d9347f34d8def883b [0,0,0,2,0,0|2,0,0]=4 1956 B13R2.1 CCO[C@@H]1CCc2c1cccc2 d45cdcdf972d77a1482368de502027ba [0,0,0,2,0,0|2,0,0]=4 1957 B13R2.1 CCO[C@@H]1CCc2c1cccn2 739a4562b2841b730dd2ec77ecb5597d [0,0,0,2,0,0|2,0,0]=4 1958 B13R2.1 CCO[C@H]1CCc2c1cccc2 9fc25a59177ef73a2d9f07d6b3cf667c [0,0,0,2,0,0|2,0,0]=4 1959 B13R2.1 CCO[C@H]1CCc2c1cccn2 7a0c9d9931ea97de8e992f51b791ed97 [0,0,0,2,0,0|2,0,0]=4 1960 B13R2.17 CC1CC1NCc2ccccc2 4cfdb83dc2f71acc5d554cb409a717c1 [0,0,0,2,0,0|2,0,0]=4 1961 B13R2.17 CC1CC1NCc2ccccn2 121876e18a2f119328db7859e4087861 [0,0,0,2,0,0|2,0,0]=4 1962 B13R2.25 CCCN1CC1c2ccccc2 e270c901fde378e5c915d14628fd0592 [0,0,0,2,0,0|2,0,0]=4 1963 B13R2.25 CCCN1C[C@@H]1c2ccccc2 9063dd0d8d5190fbb4159a798af783d6 [0,0,0,2,0,0|2,0,0]=4 1964 B13R2.25 CCNC1CC1c2ccccc2 d4c0b06f7450b284b9a7403736176252 [0,0,0,2,0,0|2,0,0]=4 1965 B13R2.25 CCN[C@@H]1C[C@H]1c2ccccc2 e5e150ca9d8c1f3071b75d9a3112d3e7 [0,0,0,2,0,0|2,0,0]=4 1966 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 500dcfaf5beb79adb729e93357fd805b [0,0,0,2,0,0|2,0,0]=4 1967 B13R2.25 CCOC1CC1c2ccccc2 27734cfca7e9b5581e39f47784ac1674 [0,0,0,2,0,0|2,0,0]=4 1968 B13R2.25 CCO[C@@H]1C[C@H]1c2ccccc2 4bfcc480eb954bc51df37bb5978ec5ba [0,0,0,2,0,0|2,0,0]=4 1969 B13R2.27 C[C@@H]1CC[C@@H]1Nc2ccccc2 684c63eb5cb578cf14151b91d0b0133b [0,0,0,2,0,0|2,0,0]=4 1970 B13R2.27 C[C@@H]1CC[C@H]1Nc2ccccc2 a6e394c4737b64f13f3ac1a417405627 [0,0,0,2,0,0|2,0,0]=4 1971 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 72eee314b16c58dc582e3e6a580d139e [0,0,0,2,0,0|2,0,0]=4 1972 B13R2.56 CCN1CCC1c2ccccc2 fda778d48a622a61b172677bfd132183 [0,0,0,2,0,0|2,0,0]=4 1973 B13R2.64 c1ccc(nc1)NC2CCCC2 ac28426e13bc16414e4fc9d0b84f5f81 [0,0,0,2,0,0|2,0,0]=4 1974 B13R2.64 c1ccc(nc1)OC2CCCC2 8460fb09b70ce957624b342cd2b053cf [0,0,0,2,0,0|2,0,0]=4 1975 B13R2.64 c1coc(c1)OC2CCCCC2 06a11ce0d933ad6eb1a1145a3869e7a2 [0,0,0,2,0,0|1,0,1]=4 1976 B13R2.1028 CCCOC1Cc2c1cccc2 0470c60c37869bb43c73e5e5e5c4bf2d [0,0,0,2,0,0|2,0,0]=4 1977 B13R2.1028 CCNCC1Cc2c1cccc2 76babc557632f9d16913fc3e24225c08 [0,0,0,2,0,0|2,0,0]=4 1978 B13R2.1028 CCOCC1Cc2c1cccc2 d06977d066875ebc338591ba61974947 [0,0,0,2,0,0|2,0,0]=4 1979 B13R2.1613 CCN1CCCc2c1cccn2 91f020e516095b0875f3f56b601d3d59 [0,0,0,2,0,0|2,0,0]=4 1980 B13R2.2382 c1ccc(cc1)CCNC2CC2 c0acc909907416c990faac6461a17e3d [0,0,0,2,0,0|2,0,0]=4 1981 B13R2.2382 c1ccc(cc1)CCOC2CC2 9b4d64189ccdbb3669ef5879f884feb2 [0,0,0,2,0,0|2,0,0]=4 1982 B13R2.2382 c1ccc(cc1)CNCC2CC2 80cb94d2a5ebc9f070dab6079001726b [0,0,0,2,0,0|2,0,0]=4 1983 B13R2.2382 c1ccc(cc1)COCC2CC2 d94b6c445a4cec9ce9fd36dbab98e454 [0,0,0,2,0,0|2,0,0]=4 1984 B13R2.2382 c1ccc(cc1)NCCC2CC2 757c7212fbff1795e50d72252d44f390 [0,0,0,2,0,0|2,0,0]=4 1985 B13R2.2382 c1ccc(nc1)CCNC2CC2 35a709cccf393853b019f29ebf684a4a [0,0,0,2,0,0|2,0,0]=4 1986 B13R2.2382 c1ccc(nc1)CCOC2CC2 81f197f8b1a75cc83cddcb9f7e0b3370 [0,0,0,2,0,0|2,0,0]=4 1987 B13R2.2382 c1ccc(nc1)CNCC2CC2 3cec5e94e357e7a3297e9daffdff2c8b [0,0,0,2,0,0|2,0,0]=4 1988 B13R2.2382 c1ccc(nc1)COCC2CC2 dcec08f65100a950b995b893d71f3651 [0,0,0,2,0,0|2,0,0]=4 1989 B13R2.2382 c1ccc(nc1)NCCC2CC2 cf5c6d56e49ce97108498eddb38dd3d0 [0,0,0,2,0,0|2,0,0]=4 1990 B13R2.2382 c1ccc(nc1)OCCC2CC2 130d29ab7acdfdb06b924ed3eb497713 [0,0,0,2,0,0|2,0,0]=4 1991 B13R2.2383 c1ccc(cc1)CCN2CCC2 22a53212ff75b5e3f191773b1880daf5 [0,0,0,2,0,0|2,0,0]=4 1992 B13R2.2383 c1ccc(cc1)CNC2CCC2 3a6b392b1d26d51094292814d17ea686 [0,0,0,2,0,0|2,0,0]=4 1993 B13R2.2383 c1ccc(cc1)COC2CCC2 f8bbcd5737453dbd625ce5790467cebd [0,0,0,2,0,0|2,0,0]=4 1994 B13R2.2383 c1ccc(cc1)NCC2CCC2 fc90e0c4b244b2a8349c32f4ee278f6b [0,0,0,2,0,0|2,0,0]=4 1995 B13R2.2383 c1ccc(nc1)CCN2CCC2 943475f43f82f44af5e86063b6e7d90d [0,0,0,2,0,0|2,0,0]=4 1996 B13R2.2383 c1ccc(nc1)CNC2CCC2 9a01bfa112eb5bbef6eff882f784c492 [0,0,0,2,0,0|2,0,0]=4 1997 B13R2.2383 c1ccc(nc1)COC2CCC2 436da9ff77c45696333832c3d856d357 [0,0,0,2,0,0|2,0,0]=4 1998 B13R2.2383 c1ccc(nc1)NCC2CCC2 5736993b341bb4b682ec085d23854579 [0,0,0,2,0,0|2,0,0]=4 1999 B13R2.2383 c1ccc(nc1)OCC2CCC2 739031db39145e772b7081953a5155e4 [0,0,0,2,0,0|2,0,0]=4 2000 B13R2.183 c1coc(c1)OCC2CCCC2 01d2ef4556375a793aa9a738a1bef87d [0,0,0,2,0,0|1,0,1]=4 2001 B13R2.183 c1csc(c1)NCC2CCCC2 cf49230e488777a4c08f906652c6718d [0,0,0,2,0,0|1,1,0]=4 2002 B13R2.183 c1csc(c1)OCC2CCCC2 7cdb04717dbfd1003c7a4aabc37a451f [0,0,0,2,0,0|1,1,0]=4 2003 B13R2.2381 c1coc(c1)OCCC2CCC2 5a39bed6c2d18e28358b338f6818725b [0,0,0,2,0,0|1,0,1]=4 2004 B13R2.2381 c1csc(c1)NCCC2CCC2 118fa73a2704ec3c054af5daa940d53c [0,0,0,2,0,0|1,1,0]=4 2005 B13R2.2381 c1csc(c1)OCCC2CCC2 4281f609ccd64b17ade9947f4ef52975 [0,0,0,2,0,0|1,1,0]=4 2006 B13R2.9 CCN1CCn2c1cccc2=O 60604cf9eafa4e626dd20a24f0a7d91e [0,0,0,2,0,0|2,0,0]=4 2007 B13R2.3587 O=c1ccccn1OCC2CC2 1f8db7edf50aeef27593a742c8f24f88 [0,0,0,2,0,0|2,0,0]=4 2008 B13R2.5225 O=c1ccccn1OC2CCC2 f6c79b6363c74e269339757b5bb82f8a [0,0,0,2,0,0|2,0,0]=4 2009 B13R2.5731 O=C/C=C/COC1CC12CCC2 cffd631e76473d7f36430fa19af9009d [0,0,0,2,0,0|1,0,1]=4 2010 B13R2.2180 O=C/C=C/COCC1CC12CC2 dc16a59ada87ec8a2cadfe7ff27ed20b [0,0,0,2,0,0|1,0,1]=4