0 B27R3.1127624 CC(=O)c1ccc(cc1)c2cnc(c(c2)C#N)OCC3CCCCC3 0aca6be43d678a9821f8e466aec8f742 [0,0,0,0,0,0|4,0,0]=4 1 B27R3.1127624 COc1cc(ccc1OCC2CCCCC2)c3ccc(cc3)C(=O)O 4d96614ed35dfceb2091b695970bbd68 [0,0,0,0,0,0|4,0,0]=4 2 B27R3.1127624 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(cc3)C(=O)N aa90480a22eaafe92cfc7b25b53788e7 [0,0,0,0,0,0|4,0,0]=4 3 B27R3.1127624 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(cc3)C(=O)O 8fce91f2dc31e611231e73b66584dd3d [0,0,0,0,0,0|3,0,0]=3 4 B27R3.1127624 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(nc3)C(=O)O 5166363dda3f2294c92a55c7b1d9fe26 [0,0,0,0,0,0|4,0,0]=4 5 B26R3.45143 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(cc3)C=O bce85760978c593bf1c316a7835ef382 [1,0,0,0,0,0|3,0,0]=4 6 B26R3.45143 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(cn3)C=O e8f536b1c50a79a260df1fbfe01b5e6a [1,0,0,0,0,0|2,0,0]=3 7 B26R3.4107506 O=C(O)c1ccc(cc1)c2ccc(c(c2)F)OCC3CCCCC3 a2c82d8c4c9f5cb6818e70a314b371f0 [1,0,0,0,0,0|3,0,0]=4 8 B28R3.755030 COC(=O)c1ccc(cc1)c2cnc(c(c2)C#N)OCC3CCCCC3 34006a04fe3c3aea37a0555309f20f4a [0,1,0,0,0,0|3,0,0]=4 9 B28R3.755034 Cc1cc(ccc1c2cnc(c(c2)C#N)OCC3CCCCC3)C(=O)O 5d0eaaa200101a728b3959e5fc5782b6 [0,1,0,0,0,0|3,0,0]=4 10 B28R3.755034 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(cc3Cl)C(=O)O 7c90c1aebcaa343c1f5f9bb5506e5401 [0,1,0,0,0,0|3,0,0]=4 11 B28R3.755034 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(cc3F)C(=O)O 1468024ee99c295afe28e639cefa86c3 [0,1,0,0,0,0|3,0,0]=4 12 B28R3.755042 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(c(c3)Br)C(=O)O 283c52db904b3a19cccc6487ef578f8d [0,1,0,0,0,0|3,0,0]=4 13 B28R3.755042 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(c(c3)Cl)C(=O)O 7890648a204004f345bab8b23ba8caba [0,1,0,0,0,0|3,0,0]=4 14 B28R3.755042 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(c(c3)F)C(=O)O da8a9c7992d88d348014dc7dd3c731d8 [0,1,0,0,0,0|3,0,0]=4 15 B28R3.755042 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(c(c3)O)C(=O)O b7c013d6194266a1fbcce73c56daa86f [0,1,0,0,0,0|3,0,0]=4 16 B26R3.925624 CC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OC3CCOCC3 4ecff655d57ef351479c4717485575db [0,0,0,0,1,0|3,0,0]=4 17 B26R3.925624 CC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OC3CCOCC3 e5f1dfd6a6d032dd8fbc22c9afac3b6d [0,0,0,0,1,0|2,0,0]=3 18 B26R3.925624 CC(O)c1cnc(nc1)c2ccc(c(c2)C#N)OC3CCOCC3 010252eaa56b156ae1a07b9013acd2e8 [0,0,0,0,1,0|2,0,1]=4 19 B26R3.925624 N#Cc1cc(ccc1OC2CCNCC2)c3ccc(cc3)C(=O)O 24ab05d943fad49da6a328fc8cbc083f [0,0,0,0,1,0|3,0,0]=4 20 B26R3.925624 N#Cc1cc(ccc1OC2CCOCC2)c3ccc(cc3)C(=O)O 81d60c087f843083411c889f042951c0 [0,0,0,0,1,0|3,0,0]=4 21 B26R3.925624 N#Cc1cc(ccc1OC2CCOCC2)c3ccc(cn3)C(=O)N 4809e50ae49fdb10a3dba80a7d3bdd8b [0,0,0,0,1,0|3,0,0]=4 22 B26R3.925624 N#Cc1cc(ccc1OC2CCOCC2)c3ccc(cn3)C(=O)O 7269320f411b6dad13157729446480e7 [0,0,0,0,1,0|2,0,0]=3 23 B26R3.925624 N#Cc1cc(ccc1OC2CCOCC2)c3ccc(nn3)C(=O)O 077db7c79532e2677106c454001b4088 [0,0,0,0,1,0|3,0,0]=4 24 B26R3.925624 N#Cc1cc(ccc1OC2CCOCC2)c3cnc(cn3)C(=O)O cebf7af3d595a7d727855dff766bbe8f [0,0,0,0,1,0|3,0,0]=4 25 B26R3.925624 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(cn3)C(=O)N 98bbcfa46b7be5dceefe42d67fe0d1ba [0,0,0,0,1,0|2,0,0]=3 26 B26R3.925624 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(cn3)C(=O)O f6e7b1e833691c175108a77be7e34145 [0,0,0,0,1,0|1,0,0]=2 27 B26R3.925624 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(cn3)[N+](=O)[O-] a57ecc8e2488fe3a4356389572caae3f [0,0,0,0,1,0|2,0,1]=4 28 B26R3.1296364 CC(=O)c1csc(c1)c2cnc(c(c2)C#N)OCC3CCCCC3 ad732e1a1e8586790ea6315a3c40dc78 [0,0,0,0,1,0|3,0,0]=4 29 B26R3.1296364 N#Cc1cc(cnc1OCC2CCCCC2)c3c[nH]c(c3)C(=O)O 9c0576cfd2dc3c19ae0aaa29ba8edaa6 [0,0,0,0,1,0|3,0,0]=4 30 B26R3.1296364 N#Cc1cc(cnc1OCC2CCCCC2)c3cc(co3)C(=O)O e18d1d26791dd3b6aace0afee54eddb5 [0,0,0,0,1,0|2,0,0]=3 31 B26R3.1296364 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(o3)C(=O)O 236e17752e6330236d9820d4741aad92 [0,0,0,0,1,0|3,0,0]=4 32 B26R3.1296364 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(s3)C(=O)O 1cd2e5afe3af27b760a48b1bbf9de026 [0,0,0,0,1,0|3,0,0]=4 33 B26R3.1296364 N#Cc1cc(cnc1OCC2CCCCC2)c3csc(c3)C(=O)O c62b9dd684a22a8ad181bfe1672bc6d5 [0,0,0,0,1,0|3,0,0]=4 34 B26R3.8857846 N#Cc1cc(cnc1OCC2CCCC2)c3ccc(cc3)C(=O)O 02482ee90db0fa64ea052aca2f7d26a1 [0,0,0,0,1,0|3,0,0]=4 35 B28R3.755033 N#Cc1cc(cnc1OCC2CCCCC2)c3ccc(cc3)CC(=O)O bbdc4e98865096dfa81e846797ab7f69 [0,0,0,0,0,1|3,0,0]=4 36 B25R3.80845 CC(=O)c1ccc(nc1)c2ccc(cc2)OCC3CCCCC3 45a8c74d0a1afce2abecdb43353f16f9 [2,0,0,0,0,0|2,0,0]=4 37 B25R3.80845 CC(=O)c1cnc(nc1)c2ccc(cc2)OCC3CCCCC3 22c8b359d7adc6581d0cdcfa30ceb3f1 [2,0,0,0,0,0|1,0,0]=3 38 B25R3.80845 CC(=O)c1cnc(nc1)c2ccc(cc2)OCC3CCCCO3 6a90c4472831353a7abbf553f009dfc3 [2,0,0,0,0,0|2,0,0]=4 39 B25R3.80845 CC(=O)c1cnc(nc1)c2ccc(cc2)OCC3CCOCC3 c291ad3a741595e95a20774c8a50d205 [2,0,0,0,0,0|2,0,0]=4 40 B25R3.80845 CC(=O)c1cnc(nc1)c2ccc(nc2)OCC3CCCCC3 9e3b4f09a9765e683e2d1f21398fdddf [2,0,0,0,0,0|2,0,0]=4 41 B25R3.80845 NC(=O)c1ccc(nc1)c2ccc(cc2)OCC3CCCCC3 c6548cce787a64cbc06fb21759ec7876 [2,0,0,0,0,0|2,0,0]=4 42 B25R3.80845 NC(=O)c1cnc(nc1)c2ccc(cc2)OCC3CCCCO3 b4344c9b9ed10582126cbcd8171bc38a [2,0,0,0,0,0|2,0,0]=4 43 B25R3.80845 O=C(O)c1ccc(cc1)c2ccc(cc2)OCC3CCCCC3 82200be10f69210e821632eefdd011b5 [2,0,0,0,0,0|2,0,0]=4 44 B25R3.80845 O=C(O)c1ccc(nc1)c2ccc(cc2)OCC3CCCCC3 db073cc137da8dacae43085a3b5b39a3 [2,0,0,0,0,0|1,0,0]=3 45 B25R3.80845 O=C(O)c1ccc(nc1)c2ccc(cc2)OCC3CCCCO3 ef42ff2be06599dd2b36448031b42324 [2,0,0,0,0,0|2,0,0]=4 46 B25R3.80845 O=C(O)c1ccc(nc1)c2ccc(cc2)OCC3CCOCC3 ca4aec7fcb8be8a7d64e5a04f7ec4ae3 [2,0,0,0,0,0|2,0,0]=4 47 B25R3.80845 O=C(O)c1ccc(nc1)c2ccc(nc2)OCC3CCCCC3 81131e07cf58a85a1bf638a0ddde1c22 [2,0,0,0,0,0|2,0,0]=4 48 B25R3.80845 O=C(O)c1ccc(nn1)c2ccc(cc2)OCC3CCCCC3 982483362b2f820bbe9d67e96a5c5fc1 [2,0,0,0,0,0|2,0,0]=4 49 B25R3.80845 O=C(O)c1cnc(cn1)c2ccc(cc2)OCC3CCCCC3 cf6e46920fefe1a9499306ecd0302204 [2,0,0,0,0,0|2,0,0]=4 50 B25R3.80845 O=C(O)c1cnc(nc1)c2ccc(cc2)COC3CCCCC3 6fabdd59d525107067610eea6b902bc7 [2,0,0,0,0,0|2,0,0]=4 51 B25R3.80845 O=C(O)c1cnc(nc1)c2ccc(cc2)OCC3CC=CCC3 377707d91dac60d0a16ea8a17a9deec1 [2,0,0,0,0,0|0,0,2]=4 52 B25R3.80845 O=C(O)c1cnc(nc1)c2ccc(cc2)OCC3CCCCC3 3448013a34556efac8013ae26a32435f [2,0,0,0,0,0|0,0,0]=2 53 B25R3.80845 O=C(O)c1cnc(nc1)c2ccc(cc2)OCC3CCCCO3 8d696f78e0d80b020175eee655b8e4a6 [2,0,0,0,0,0|1,0,0]=3 54 B25R3.80845 O=C(O)c1cnc(nc1)c2ccc(cc2)OCC3CCOCC3 8760793fca91c604e400002db172b770 [2,0,0,0,0,0|1,0,0]=3 55 B25R3.80845 O=C(O)c1cnc(nc1)c2ccc(nc2)OCC3CCCCC3 218404ff308a857b02900a73fc50e68d [2,0,0,0,0,0|1,0,0]=3 56 B25R3.80845 O=[N+]([O-])c1cnc(nc1)c2ccc(cc2)OCC3CCCCC3 097ce4ee746e31c15ee7afdf1ac7392b [2,0,0,0,0,0|1,0,1]=4 57 B27R3.743875 CNC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OC3CCOCC3 65050d2eef1e95274f512b5f8e401284 [0,1,0,0,1,0|2,0,0]=4 58 B27R3.743875 COC(=O)c1ccc(nc1)c2ccc(c(c2)C#N)OC3CCOCC3 a4c7036adf6cea326d86eac73b8dd513 [0,1,0,0,1,0|2,0,0]=4 59 B27R3.743875 COC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OC3CCOCC3 1149f9ac8be73d0eaf9dac9bab212812 [0,1,0,0,1,0|1,0,0]=3 60 B27R3.743875 N#Cc1cc(ccc1OC2CCOCC2)c3ccc(cn3)C(=O)NO 59d198231e42b97742d2c223c12ecbbb [0,1,0,0,1,0|2,0,0]=4 61 B27R3.743875 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(cn3)C(=O)CBr c7ac634d8d4afc33b3fba69d5672fd35 [0,1,0,0,1,0|2,0,0]=4 62 B27R3.743879 Cc1cc(cnc1c2ccc(c(c2)C#N)OC3CCOCC3)C(=O)O 67cdd26b08748020aca763062f090b03 [0,1,0,0,1,0|2,0,0]=4 63 B27R3.743879 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(cc3F)C(=O)O 96678be2121d549186b4da59a52d94bd [0,1,0,0,1,0|2,0,0]=4 64 B27R3.743879 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(cc3N)C(=O)O 97ca8ea48ad8785d0a0a34ab79da0e6e [0,1,0,0,1,0|2,0,0]=4 65 B27R3.743879 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(cc3O)C(=O)O f7ead3e5b80aa91ee4495c3c2e8b5063 [0,1,0,0,1,0|2,0,0]=4 66 B27R3.743887 Cc1cc(ncc1C(=O)O)c2ccc(c(c2)C#N)OC3CCOCC3 9e4e227a0e5ff0fa5d58c4ebecd2d7bc [0,1,0,0,1,0|2,0,0]=4 67 B27R3.743887 Cc1nc(ccc1C(=O)O)c2ccc(c(c2)C#N)OC3CCOCC3 1be74a9c68fd4a71183f75baab6c1da8 [0,1,0,0,1,0|2,0,0]=4 68 B27R3.743887 Cc1nc(ncc1C(=O)O)c2ccc(c(c2)C#N)OC3CCOCC3 8cb227f90c262188a811e88573434c92 [0,1,0,0,1,0|1,0,0]=3 69 B27R3.743887 N#Cc1cc(ccc1OC2CCOCC2)c3cc(c(cn3)C(=O)O)F df59a6ea82f1a1eb325d6ea70de15966 [0,1,0,0,1,0|2,0,0]=4 70 B27R3.743887 N#Cc1cc(ccc1OC2CCOCC2)c3cc(c(cn3)C(=O)O)N 31c24892b6dbcd98b6c4f101f4f74809 [0,1,0,0,1,0|2,0,0]=4 71 B27R3.743887 N#Cc1cc(ccc1OC2CCOCC2)c3cc(c(cn3)C(=O)O)O eb2f4ad85154741825330efaa648053d [0,1,0,0,1,0|2,0,0]=4 72 B27R3.743887 N#Cc1cc(ccc1OC2CCOCC2)c3ccc(c(n3)F)C(=O)O bdd0ae455d090e7dcef7459c645c3140 [0,1,0,0,1,0|2,0,0]=4 73 B27R3.743887 N#Cc1cc(ccc1OC2CCOCC2)c3ccc(c(n3)N)C(=O)O 73c7bf3be2f78dc2533e3fee8f3b56ff [0,1,0,0,1,0|2,0,0]=4 74 B27R3.743887 N#Cc1cc(ccc1OC2CCOCC2)c3ccc(c(n3)O)C(=O)O 78fe319262bc302feff572f01f6f0ddb [0,1,0,0,1,0|2,0,0]=4 75 B27R3.1127637 COC(=O)c1c[nH]c(c1)c2cnc(c(c2)C#N)OCC3CCCCC3 657cd5e3051a959040093505f517551c [0,1,0,0,1,0|1,0,1]=4 76 B27R3.1127637 COC(=O)c1cc(n[nH]1)c2cnc(c(c2)C#N)OCC3CCCCC3 728eb4db0963ce2d95a215b93f84d711 [0,1,0,0,1,0|2,0,0]=4 77 B27R3.1127637 COC(=O)c1coc(c1)c2cnc(c(c2)C#N)OCC3CCCCC3 e9c9629542635d9ad0f77da7eca9ff63 [0,1,0,0,1,0|2,0,0]=4 78 B27R3.1127637 COC(=O)c1csc(c1)c2cnc(c(c2)C#N)OCC3CCCCC3 fe634f04dcd5492e9bca5413751a3a8e [0,1,0,0,1,0|2,0,0]=4 79 B25R3.2761 C=Cc1cnc(nc1)c2ccc(c(c2)C#N)OC3CCOCC3 4984388847a95e34bcad4de978f46471 [1,0,0,0,1,0|2,0,0]=4 80 B25R3.2761 N#Cc1cc(ccc1OC2CCNCC2)c3ccc(cn3)C=O bcdc75812ed3f7b310fac1df03897097 [1,0,0,0,1,0|2,0,0]=4 81 B25R3.2761 N#Cc1cc(ccc1OC2CCOCC2)c3ccc(cn3)C=O a964bb103444efa1ced9d5e36e014fd3 [1,0,0,0,1,0|2,0,0]=4 82 B25R3.2761 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(cn3)C=O 1e33074bb1f871402679f032783e20e3 [1,0,0,0,1,0|1,0,0]=3 83 B25R3.2761 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(cn3)CO 6e01e7af36607fa30e8bf9241bf54647 [1,0,0,0,1,0|1,0,1]=4 84 B25R3.37858 N#Cc1cc(cnc1OCC2CCCC2)c3ccc(cn3)C=O e8e027dca872ad29905a936099c00170 [1,0,0,0,1,0|2,0,0]=4 85 B25R3.2148577 N#Cc1cc(cnc1OCC2CCCCC2)c3cc(co3)C=O 99ffe1a01f5a64a728510460f1abc7f7 [1,0,0,0,1,0|2,0,0]=4 86 B25R3.2148577 N#Cc1cc(cnc1OCC2CCCCC2)c3cc(cs3)C=O cd147d0ab878b434295bf7457ec7c72f [1,0,0,0,1,0|2,0,0]=4 87 B25R3.3507364 CC(=O)c1cnc(nc1)c2ccc(c(c2)F)OC3CCCCC3 644da07786463ab245916cae8e9f4f2d [1,0,0,0,1,0|2,0,0]=4 88 B25R3.3507364 NC(=O)c1cnc(nc1)c2ccc(c(c2)F)OC3CCCCC3 91e2d43a589fb95de84545dd98f284df [1,0,0,0,1,0|2,0,0]=4 89 B25R3.3507364 O=C(O)c1ccc(nc1)c2ccc(c(c2)F)OC3CCCCC3 7923cabdf5516193a46aa24022a7d3f6 [1,0,0,0,1,0|2,0,0]=4 90 B25R3.3507364 O=C(O)c1cnc(nc1)c2ccc(c(c2)Cl)CN3CCCCC3 b1f002e8e074fd789a98d2f6905e7112 [1,0,0,0,1,0|2,0,0]=4 91 B25R3.3507364 O=C(O)c1cnc(nc1)c2ccc(c(c2)F)CN3CCCCC3 5d290eb57422e3336ae4a796ceb285ff [1,0,0,0,1,0|2,0,0]=4 92 B25R3.3507364 O=C(O)c1cnc(nc1)c2ccc(c(c2)F)OC3CCCCC3 ebf66d458d717200ebf78d0c8356b718 [1,0,0,0,1,0|1,0,0]=3 93 B25R3.8612 N#Cc1cc(ccc1N2CCOCC2)c3ncc(cn3)C(=O)O 64938340d475a51c3d54110bf2f8a28c [0,0,0,0,2,0|2,0,0]=4 94 B25R3.8612 N#Cc1cc(cnc1N2CCCCC2)c3ncc(cn3)C(=O)O abc329a0829dd79c98dc17d8e2267b2b [0,0,0,0,2,0|2,0,0]=4 95 B25R3.1136282 N#Cc1cc(ccc1OC2CCNCC2)c3cc(co3)C(=O)O bc92bc71e2bec894e80134a2b62f7bc3 [0,0,0,0,2,0|2,0,0]=4 96 B25R3.1136282 N#Cc1cc(ccc1OC2CCNCC2)c3cc(cs3)C(=O)O 5cf82cad0e7d2be33542a62c1034c0ab [0,0,0,0,2,0|2,0,0]=4 97 B25R3.1136282 N#Cc1cc(ccc1OC2CCOCC2)c3cc(c[nH]3)C(=O)O e03a252fe0d7f3413872631790645473 [0,0,0,0,2,0|1,0,1]=4 98 B25R3.1136282 N#Cc1cc(ccc1OC2CCOCC2)c3cc(co3)C(=O)O b334dc1b91ca1f7b0b5133f646db7672 [0,0,0,0,2,0|2,0,0]=4 99 B25R3.1136282 N#Cc1cc(ccc1OC2CCOCC2)c3cc(cs3)C(=O)O eaface3abf16522527fe41b5fd13bc3a [0,0,0,0,2,0|2,0,0]=4 100 B25R3.1136282 N#Cc1cc(ccc1OC2CCOCC2)c3cc(on3)C(=O)O f259d7d8a4440ce1872df05ccb2c6bb4 [0,0,0,0,2,0|2,0,0]=4 101 B25R3.1136282 N#Cc1cc(ccc1OC2CCOCC2)c3cc(sn3)C(=O)O 71288a88dd11232c3a728d3d20520023 [0,0,0,0,2,0|2,0,0]=4 102 B25R3.1136282 N#Cc1cc(ccc1OC2CCOCC2)c3nc(co3)C(=O)O a9082c2cabe658a817e32c1d02ba724a [0,0,0,0,2,0|2,0,0]=4 103 B25R3.1136282 N#Cc1cc(ccc1OC2CCOCC2)c3nc(cs3)C(=O)O 0a64a2873a0577155e5810648bfdb785 [0,0,0,0,2,0|2,0,0]=4 104 B25R3.1136282 N#Cc1cc(ccc1OC2CCOCC2)c3ncc([nH]3)C(=O)O 650409e36694399762c8dd9f4d1ca6f0 [0,0,0,0,2,0|1,0,1]=4 105 B25R3.1136282 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(o3)C(=O)O f6ff666cadcb15c07df76f965a3cc6d6 [0,0,0,0,2,0|2,0,0]=4 106 B25R3.1136282 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(s3)C(=O)O 6a946c98152d4507798c5a0eb9124085 [0,0,0,0,2,0|2,0,0]=4 107 B25R3.7201840 CC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)OC3CCOC3 8f8b7729fc490889df32e0c130b07573 [0,0,0,0,2,0|2,0,0]=4 108 B25R3.7201840 CC(=O)c1cnc(nc1)c2ccc(c(c2)C#N)O[C@@H]3CCOC3 5b3af7398b4dac54751a6351ee94f7be [0,0,0,0,2,0|2,0,0]=4 109 B25R3.7201840 N#Cc1cc(ccc1OC2CCOC2)c3ccc(cn3)C(=O)O 914d215bff11909e0a221806649e8f43 [0,0,0,0,2,0|2,0,0]=4 110 B25R3.7201840 N#Cc1cc(ccc1OC2CCOC2)c3ncc(cn3)C(=O)N a96c67f23ad5e39735bab7642dba6c62 [0,0,0,0,2,0|2,0,0]=4 111 B25R3.7201840 N#Cc1cc(ccc1OC2CCOC2)c3ncc(cn3)C(=O)O f997202f02874103d5c713dc40d17e6a [0,0,0,0,2,0|1,0,0]=3 112 B25R3.7201840 N#Cc1cc(ccc1O[C@@H]2CCOC2)c3ccc(cn3)C(=O)O 1721f0a33375a5c79533abc5def38c1a [0,0,0,0,2,0|2,0,0]=4 113 B25R3.7201840 N#Cc1cc(ccc1O[C@@H]2CCOC2)c3ncc(cn3)C(=O)N 6bd17f6ca3cb5c1ee5a4ab0124b0ebcf [0,0,0,0,2,0|2,0,0]=4 114 B25R3.7201840 N#Cc1cc(ccc1O[C@@H]2CCOC2)c3ncc(cn3)C(=O)O bc55d584357caeaacd0685589f29a0e3 [0,0,0,0,2,0|1,0,0]=3 115 B25R3.7122284 N#Cc1cc(cnc1OCC2CCCC2)c3cc(co3)C(=O)O 8cdcd24450992115c3d25a2066341907 [0,0,0,0,2,0|2,0,0]=4 116 B27R3.743878 N#Cc1cc(ccc1OC2CCOCC2)c3ccc(cn3)CC(=O)O e38b2ffd6c16ab26b0dc054abfeab319 [0,0,0,0,1,1|2,0,0]=4 117 B27R3.743878 N#Cc1cc(ccc1OC2CCOCC2)c3ncc(cn3)CC(=O)O fb82dc13d67d91732f147972c2a0820b [0,0,0,0,1,1|1,0,0]=3 118 B27R3.1017447 CC(=O)c1ccc(nc1)c2ccc(c(c2)OCC3CCCCC3)C#N ce936205ad82786a28b38f0c6ab6882a [0,0,0,0,1,1|2,0,0]=4 119 B27R3.1017447 CC(=O)c1cnc(nc1)c2ccc(c(c2)OCC3CCCCC3)C#N fb5fd220a3b3127b63f9933f5acd9ebb [0,0,0,0,1,1|1,0,0]=3 120 B27R3.1017447 CC(O)c1cnc(nc1)c2ccc(c(c2)OCC3CCCCC3)C#N 1dbe41a9283386adddb2eb5005f91980 [0,0,0,0,1,1|1,0,1]=4 121 B27R3.1017447 N#Cc1ccc(cc1OCC2CCCCC2)c3ccc(cc3)C(=O)O 2e27f07ac70fa22f172c70fb5004bba8 [0,0,0,0,1,1|2,0,0]=4 122 B27R3.1017447 N#Cc1ccc(cc1OCC2CCCCC2)c3ccc(cn3)C(=O)N ad1edf030af36c43dfd86d3e239493e4 [0,0,0,0,1,1|2,0,0]=4 123 B27R3.1017447 N#Cc1ccc(cc1OCC2CCCCC2)c3ccc(cn3)C(=O)O aa64cd49e620c581753e97a310b20d70 [0,0,0,0,1,1|1,0,0]=3 124 B27R3.1017447 N#Cc1ccc(cc1OCC2CCCCC2)c3ccc(nn3)C(=O)O 3d48fe43823da7368435d0c4d88bb589 [0,0,0,0,1,1|2,0,0]=4 125 B27R3.1017447 N#Cc1ccc(cc1OCC2CCCCC2)c3cnc(cn3)C(=O)O 12cd1490522a7a968a751a83e586c147 [0,0,0,0,1,1|2,0,0]=4 126 B27R3.1017447 N#Cc1ccc(cc1OCC2CCCCC2)c3ncc(cn3)C(=O)N 34caeb184e9537865f153832b4fd240a [0,0,0,0,1,1|1,0,0]=3 127 B27R3.1017447 N#Cc1ccc(cc1OCC2CCCCC2)c3ncc(cn3)C(=O)O 27951f88d446301932d1f0b6db09fab3 [0,0,0,0,1,1|0,0,0]=2 128 B27R3.1017447 N#Cc1ccc(cc1OCC2CCCCC2)c3ncc(cn3)[N+](=O)[O-] 89529e95c25b9d4e68ab1af78dfea87a [0,0,0,0,1,1|1,0,1]=4 129 B27R3.1127628 CC(=O)c1cncc(c1)c2cnc(c(c2)C#N)OCC3CCCCC3 a4c3d7baccd4ce15bc3aea6c015574fe [0,0,0,0,1,1|2,0,0]=4 130 B27R3.1127628 N#Cc1cc(cnc1OCC2CCCCC2)c3cccc(c3)C(=O)O af3ad27726bb6e0d36f260dba1e23693 [0,0,0,0,1,1|2,0,0]=4 131 B27R3.1127628 N#Cc1cc(cnc1OCC2CCCCC2)c3ccnc(c3)C(=O)O f5317bf81bc13bc0a920a9f62e01b20c [0,0,0,0,1,1|2,0,0]=4 132 B27R3.1127628 N#Cc1cc(cnc1OCC2CCCCC2)c3cncc(c3)C(=O)N 939b4aa396fc2c423b73e5bca4756017 [0,0,0,0,1,1|2,0,0]=4 133 B27R3.1127628 N#Cc1cc(cnc1OCC2CCCCC2)c3cncc(c3)C(=O)O 447d9645f4d2ade25cecd7c7a427375c [0,0,0,0,1,1|1,0,0]=3